Mock Version: 1.4.21
Mock Version: 1.4.21
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f33-build-161299-43422/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x3fb2d85700>timeout=432000uid=987gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False)
Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'} and shell False
sh: perl: command not found
sh: /usr/bin/perl: No such file or directory
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1580256000
Wrote: /builddir/build/SRPMS/openbabel-2.4.1-28.fc33.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f33-build-161299-43422/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x3fb2d85700>timeout=432000uid=987gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False)
Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'} and shell False
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1580256000
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.Ex1JSn
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf openbabel-openbabel-2-4-1
+ /usr/bin/gzip -dc /builddir/build/SOURCES/openbabel-2-4-1.tar.gz
+ /usr/bin/tar -xof -
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd openbabel-openbabel-2-4-1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ echo 'Patch #1 (openbabel-perl.patch):'
Patch #1 (openbabel-perl.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .perl_path --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 355 (offset 19 lines).
Patch #4 (openbabel-plugindir.patch):
+ echo 'Patch #4 (openbabel-plugindir.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .plugindir --fuzz=0
patching file CMakeLists.txt
Hunk #1 succeeded at 269 (offset 3 lines).
+ echo 'Patch #6 (openbabel-noswig-rubymethod.patch):'
Patch #6 (openbabel-noswig-rubymethod.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .noswig_ruby --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 404 (offset 30 lines).
Patch #7 (openbabel-ruby19-vendorarch.patch):
+ echo 'Patch #7 (openbabel-ruby19-vendorarch.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .ruby_vendor --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 435 (offset 35 lines).
Patch #9 (openbabel-narrowing-conversion.patch):
+ echo 'Patch #9 (openbabel-narrowing-conversion.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .nc --fuzz=0
patching file src/formats/pngformat.cpp
patching file src/formats/yasaraformat.cpp
Patch #10 (openbabel-fix-libdir-in-pkgconfig.patch):
+ echo 'Patch #10 (openbabel-fix-libdir-in-pkgconfig.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 --fuzz=0
patching file openbabel-2.0.pc.cmake
Patch #12 (openbabel-taberror.patch):
+ echo 'Patch #12 (openbabel-taberror.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .taberr --fuzz=0
patching file test/testpdbformat.py
Patch #13 (openbabel-python-dl.patch):
+ echo 'Patch #13 (openbabel-python-dl.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .py3dl --fuzz=0
patching file scripts/CMakeLists.txt
+ dos2unix -k data/chemdrawcdx.h include/openbabel/tautomer.h include/openbabel/math/align.h src/math/align.cpp test/testsmartssym.py
dos2unix: converting file data/chemdrawcdx.h to Unix format...
dos2unix: converting file include/openbabel/tautomer.h to Unix format...
dos2unix: converting file include/openbabel/math/align.h to Unix format...
dos2unix: converting file src/math/align.cpp to Unix format...
dos2unix: converting file test/testsmartssym.py to Unix format...
+ convert src/GUI/babel.xpm -transparent white babel.png
+ pushd doc
~/build/BUILD/openbabel-openbabel-2-4-1/doc ~/build/BUILD/openbabel-openbabel-2-4-1
+ for man in *.1
++ basename babel.1 .1
+ html=babel.html
+ '[' -f babel.html ']'
+ rm babel.html
+ for man in *.1
++ basename obabel.1 .1
+ html=obabel.html
+ '[' -f obabel.html ']'
+ for man in *.1
++ basename obchiral.1 .1
+ html=obchiral.html
+ '[' -f obchiral.html ']'
+ rm obchiral.html
+ for man in *.1
++ basename obconformer.1 .1
+ html=obconformer.html
+ '[' -f obconformer.html ']'
+ rm obconformer.html
+ for man in *.1
++ basename obenergy.1 .1
+ html=obenergy.html
+ '[' -f obenergy.html ']'
+ rm obenergy.html
+ for man in *.1
++ basename obfit.1 .1
+ html=obfit.html
+ '[' -f obfit.html ']'
+ rm obfit.html
+ for man in *.1
++ basename obgen.1 .1
+ html=obgen.html
+ '[' -f obgen.html ']'
+ rm obgen.html
+ for man in *.1
++ basename obgrep.1 .1
+ html=obgrep.html
+ '[' -f obgrep.html ']'
+ rm obgrep.html
+ for man in *.1
++ basename obgui.1 .1
+ html=obgui.html
+ '[' -f obgui.html ']'
+ rm obgui.html
+ for man in *.1
++ basename obminimize.1 .1
+ html=obminimize.html
+ '[' -f obminimize.html ']'
+ rm obminimize.html
+ for man in *.1
++ basename obprobe.1 .1
+ html=obprobe.html
+ '[' -f obprobe.html ']'
+ rm obprobe.html
+ for man in *.1
++ basename obprop.1 .1
+ html=obprop.html
+ '[' -f obprop.html ']'
+ rm obprop.html
+ for man in *.1
++ basename obrotamer.1 .1
+ html=obrotamer.html
+ '[' -f obrotamer.html ']'
+ rm obrotamer.html
+ for man in *.1
++ basename obrotate.1 .1
+ html=obrotate.html
+ '[' -f obrotate.html ']'
+ rm obrotate.html
+ for man in *.1
++ basename obspectrophore.1 .1
+ html=obspectrophore.html
+ '[' -f obspectrophore.html ']'
+ rm obspectrophore.html
+ for man in *.1
++ basename roundtrip.1 .1
+ html=roundtrip.html
~/build/BUILD/openbabel-openbabel-2-4-1
+ '[' -f roundtrip.html ']'
+ popd
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.0OWsKp
+ umask 022
+ cd /builddir/build/BUILD
+ cd openbabel-openbabel-2-4-1
+ CFLAGS='-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection'
+ export CFLAGS
+ CXXFLAGS='-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection'
+ export CXXFLAGS
+ FFLAGS='-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ /usr/bin/cmake -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -DCMAKE_SKIP_RPATH:BOOL=ON -DBUILD_GUI:BOOL=ON -DPYTHON_BINDINGS:BOOL=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS:BOOL=ON -DRUBY_BINDINGS:BOOL=ON -DOPENBABEL_USE_SYSTEM_INCHI=true -DENABLE_VERSIONED_FORMATS=false -DRUN_SWIG=true -DENABLE_TESTS:BOOL=ON -DOPTIMIZE_NATIVE=OFF .
-- The C compiler identification is GNU 10.0.1
-- The CXX compiler identification is GNU 10.0.1
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
CMake Deprecation Warning at CMakeLists.txt:16 (cmake_policy):
  The OLD behavior for policy CMP0005 will be removed from a future version
  of CMake.
  The cmake-policies(7) manual explains that the OLD behaviors of all
  policies are deprecated and that a policy should be set to OLD only under
  specific short-term circumstances.  Projects should be ported to the NEW
  behavior and not rely on setting a policy to OLD.
CMake Deprecation Warning at CMakeLists.txt:18 (cmake_policy):
  The OLD behavior for policy CMP0042 will be removed from a future version
  of CMake.
  The cmake-policies(7) manual explains that the OLD behaviors of all
  policies are deprecated and that a policy should be set to OLD only under
  specific short-term circumstances.  Projects should be ported to the NEW
  behavior and not rely on setting a policy to OLD.
-- Found INCHI: /usr/lib64/libinchi.so  
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.9.10") 
-- Found ZLIB: /usr/lib64/libz.so (found version "1.2.11") 
-- Found wxWidgets: -pthread;;;-lwx_baseu-3.0;-lwx_gtk3u_core-3.0;-lwx_gtk3u_adv-3.0 (found version "3.0.4") 
-- Looking for conio.h
-- Looking for conio.h - not found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for time.h
-- Looking for time.h - found
-- Looking for strings.h
-- Looking for strings.h - found
-- Looking for rpc/xdr.h
-- Looking for rpc/xdr.h - not found
-- Looking for regex.h
-- Looking for regex.h - found
-- Looking for C++ include sstream
-- Looking for C++ include sstream - found
-- Looking for rint
-- Looking for rint - not found
-- Looking for snprintf
-- Looking for snprintf - found
-- Looking for sranddev
-- Looking for sranddev - not found
-- Looking for strcasecmp
-- Looking for strcasecmp - found
-- Looking for strncasecmp
-- Looking for strncasecmp - found
-- Looking for dlopen in dl
-- Looking for dlopen in dl - found
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for stdint.h
-- Looking for stdint.h - found
-- Looking for stddef.h
-- Looking for stddef.h - found
-- Check size of clock_t
-- Check size of clock_t - done
-- Performing Test SCANDIR_NEEDS_CONST
-- Performing Test SCANDIR_NEEDS_CONST - Failed
-- Performing Test HAVE_GCC_VISIBILITY
-- Performing Test HAVE_GCC_VISIBILITY - Success
-- Checking available shared pointer...
-- Performing Test HAVE_STD_SHARED_PTR
-- Performing Test HAVE_STD_SHARED_PTR - Success
-- Performing Test HAVE_STD_TR1_SHARED_PTR
-- Performing Test HAVE_STD_TR1_SHARED_PTR - Failed
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER - Success
-- Use std::shared_ptr in memory
-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0") 
-- Found PkgConfig: /usr/bin/pkg-config (found version "1.6.3") 
-- Checking for module 'cairo'
--   Found cairo, version 1.16.0
-- Found Cairo: /usr/lib64/libcairo.so  
-- Cairo found. PNG output will be supported.
-- Looking for getopt
-- Looking for getopt - found
-- Attempting to build the GUI
--    wxWidgets found => GUI will be built
-- Found PythonInterp: /usr/bin/python3 (found version "3.8.2") 
-- Found SWIG: /usr/bin/swig (found version "4.0.0") 
-- Found SWIG: /usr/bin/swig (found suitable version "4.0.0", minimum required is "2.0") 
-- Found PythonLibs: /usr/lib64/libpython3.8.so (found version "3.8.2") 
-- Python bindings will be compiled
-- Found Perl: /usr/bin/perl (found version "5.30.2") 
-- Found PerlLibs: /usr/lib64/libperl.so (found version "5.30.2") 
-- Perl bindings will be compiled
-- Found Ruby: /usr/bin/ruby (found version "2.5.7") 
-- Ruby bindings will be compiled
-- Configuring done
-- Generating done
CMake Warning:
  Manually-specified variables were not used by the project:
    CMAKE_C_FLAGS_RELEASE
    CMAKE_Fortran_FLAGS_RELEASE
    INCLUDE_INSTALL_DIR
    SHARE_INSTALL_PREFIX
    SYSCONF_INSTALL_DIR
-- Build files have been written to: /builddir/build/BUILD/openbabel-openbabel-2-4-1
+ make VERBOSE=1 -j4
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-openbabel-2-4-1 -B/builddir/build/BUILD/openbabel-openbabel-2-4-1 --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-openbabel-2-4-1/CMakeFiles /builddir/build/BUILD/openbabel-openbabel-2-4-1/CMakeFiles/progress.marks
make -f CMakeFiles/Makefile2 all
make[1]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/openbabel.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/openbabel.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/openbabel.dir/depend.internal".
Scanning dependencies of target openbabel
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[  0%] Building CXX object src/CMakeFiles/openbabel.dir/base.o
[  0%] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/base.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/base.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/bitvec.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/bitvec.cpp
[  0%] Building CXX object src/CMakeFiles/openbabel.dir/atom.o
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/alias.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/alias.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/atom.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/atom.cpp
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/bond.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/bond.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/bond.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/atom.cpp: In member function 'int OpenBabel::OBAtom::HighestBondOrder()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/atom.cpp:306:24: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  306 |       if(bond->GetBO() > highest)
      |          ~~~~~~~~~~~~~~^~~~~~~~~
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/bondtyper.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/bondtyper.cpp
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/builder.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/builder.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/canon.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/canon.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/canon.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:188:7: warning: multi-line comment [-Wcomment]
  188 |       //     \                 \
      |       ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:190:7: warning: multi-line comment [-Wcomment]
  190 |       //                              \
      |       ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:197:7: warning: multi-line comment [-Wcomment]
  197 |       //     \                 \
      |       ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:199:7: warning: multi-line comment [-Wcomment]
  199 |       //                              \
      |       ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:265:7: warning: multi-line comment [-Wcomment]
  265 |       //    \       \
      |       ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:1215:5: warning: multi-line comment [-Wcomment]
 1215 |     //  /                         /             v2           /                \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:1324:9: warning: multi-line comment [-Wcomment]
 1324 |         //        /          \
      |         ^
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/chains.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/chains.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/chargemodel.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chargemodel.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/canon.cpp: In constructor 'OpenBabel::CanonicalLabelsImpl::State::State(const std::vector<unsigned int>&, const OpenBabel::OBBitVec&, std::vector<OpenBabel::CanonicalLabelsImpl::StereoCenter>&, std::vector<OpenBabel::CanonicalLabelsImpl::FullCode>&, OpenBabel::CanonicalLabelsImpl::Orbits&, OpenBabel::OBBitVec&, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/canon.cpp:710:34: warning: 'OpenBabel::CanonicalLabelsImpl::State::stereoCenters' will be initialized after [-Wreorder]
  710 |       std::vector<StereoCenter> &stereoCenters;
      |                                  ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/canon.cpp:704:18: warning:   'const bool OpenBabel::CanonicalLabelsImpl::State::onlyOne' [-Wreorder]
  704 |       const bool onlyOne;
      |                  ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/canon.cpp:685:7: warning:   when initialized here [-Wreorder]
  685 |       State(const std::vector<unsigned int> &_symmetry_classes,
      |       ^~~~~
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chiral.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/chiral.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chiral.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp: In member function 'void OpenBabel::OBChainsParser::ConstrainBackbone(OpenBabel::OBMol&, OpenBabel::Template*, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1271:51: warning: 'nd' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1271 |                         result = Match4Constraints(pep,na,nb,nc,nd);
      |                                  ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1273:51: warning: 'nc' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1273 |                         result = Match3Constraints(pep,na,nb,nc);
      |                                  ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1273:51: warning: 'nb' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1273:51: warning: 'na' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp: In member function 'void OpenBabel::OBChainsParser::TracePeptideChain(OpenBabel::OBMol&, unsigned int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1447:36: warning: 'nb' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1447 |                   TracePeptideChain(mol,nb,r);
      |                   ~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1441:36: warning: 'na' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1441 |                   TracePeptideChain(mol,na,r);
      |                   ~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:1408:29: warning: 'nc' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1408 |             if ( bitmasks[na] & BitC )
      |                             ^
In file included from /usr/include/string.h:495,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:28:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'OpenBabel::OBChainsParser::OBChainsParser()' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:762:16:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' output may be truncated copying 3 bytes from a string of length 3 [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'OpenBabel::OBChainsParser::OBChainsParser()' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/chains.cpp:771:16:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' output may be truncated copying 3 bytes from a string of length 3 [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/data.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/data.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp: In member function 'bool OpenBabel::OBBuilder::Build(OpenBabel::OBMol&, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/builder.cpp:1060:32: warning: 'match_idx' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1060 |               match_indices[0] = match_idx;
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/data_utilities.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/data_utilities.cpp
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/descriptor.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptor.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/data_utilities.cpp: In function 'bool OpenBabel::extract_thermochemistry(OpenBabel::OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector<double>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/data_utilities.cpp:125:26: warning: comparison of integer expressions of different signedness: 'int' and 'long unsigned int' [-Wsign-compare]
  125 |         for(int i = 0; (i<NEU); i++)
      |                          ^
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/fingerprint.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprint.cpp
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/forcefield.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprint.cpp: In member function 'bool OpenBabel::FastSearch::Find(OpenBabel::OBBase*, std::vector<unsigned int>&, unsigned int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprint.cpp:161:48: warning: operation on 'ppat' may be undefined [-Wsequence-point]
  161 |             if ( (a=((*ppat) & (*p++)) ^ (*ppat++)) ) break;
      |                                            ~~~~^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprint.cpp:161:48: warning: operation on 'ppat' may be undefined [-Wsequence-point]
In file included from /usr/include/string.h:495,
                 from /usr/include/c++/10/cstring:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/data.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/data.cpp:25:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'OpenBabel::OBElement::OBElement(int, const char*, double, double, double, int, double, double, double, double, double, double, double, std::string)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/data.h:118:18,
    inlined from 'virtual void OpenBabel::OBElementTable::ParseLine(const char*)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/data.cpp:125:79:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' output may be truncated copying 3 bytes from a string of length 3 [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/format.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/format.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/format.cpp
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/generic.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/generic.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In static member function 'static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:384:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  384 |     if (_ignoreAtom == a)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:386:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  386 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In static member function 'static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:396:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  396 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In static member function 'static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:406:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  406 |     if (_ignoreAtom == d)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintType(int) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:658:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFConstraint>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  658 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'double OpenBabel::OBFFConstraints::GetConstraintValue(int) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:666:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFConstraint>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  666 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:674:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFConstraint>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  674 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:682:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFConstraint>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  682 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:690:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFConstraint>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  690 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:698:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFConstraint>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  698 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBForceField::FastRotorSearch(bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1346:34: warning: array subscript has type 'char' [-Wchar-subscripts]
 1346 |     num_permutations = factorial[num_rotors_to_permute];
      |                                  ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1350:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBRotor*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1350 |     for (int i=0; i<vrotors.size(); ++i)
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1363:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1363 |       for (int i=0; i<reordered_rotors.size(); ++i) {
      |                     ~^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1284:9: warning: unused variable 'origLogLevel' [-Wunused-variable]
 1284 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1320:12: warning: variable 'energy_offset' set but not used [-Wunused-but-set-variable]
 1320 |     double energy_offset;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In function 'void OpenBabel::Reweight(std::vector<std::vector<double> >&, std::vector<int>, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1564:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
 1564 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1583:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
 1583 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'void OpenBabel::OBForceField::DistanceGeometry()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1963:26: warning: variable 'l_bc' set but not used [-Wunused-but-set-variable]
 1963 |             double l_ab, l_bc, l_ac; // lower limits
      |                          ^~~~
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/graphsym.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/graphsym.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/grid.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/grid.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp: In member function 'void OpenBabel::OBOrbitalData::LoadClosedShellOrbitals(std::vector<double>, std::vector<std::__cxx11::basic_string<char> >, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp:1469:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1469 |     if (alphaHOMO > energies.size())
      |         ~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp:1485:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1485 |         if (i < alphaHOMO)
      |             ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp: In member function 'void OpenBabel::OBOrbitalData::LoadAlphaOrbitals(std::vector<double>, std::vector<std::__cxx11::basic_string<char> >, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp:1502:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1502 |     if (alphaHOMO > energies.size())
      |         ~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp:1516:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1516 |         if (i < alphaHOMO)
      |             ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp: In member function 'void OpenBabel::OBOrbitalData::LoadBetaOrbitals(std::vector<double>, std::vector<std::__cxx11::basic_string<char> >, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp:1533:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1533 |     if (betaHOMO > energies.size())
      |         ~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/generic.cpp:1547:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1547 |         if (i < betaHOMO)
      |             ~~^~~~~~~~~~
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/griddata.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/griddata.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/isomorphism.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/isomorphism.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:22:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddIgnore(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomConstraint(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomZConstraint(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomXConstraint(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomYConstraint(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rab0' may be used uninitialized in this function [-Wmaybe-uninitialized]
  234 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/forcefield.h:234:16: warning: 'constraint.OpenBabel::OBFFConstraint::rbc0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp: In member function 'int OpenBabel::OBForceField::FastRotorSearch(bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1403:11: warning: 'minE' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1403 |           if (minE < best_minE) {
      |           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefield.cpp:1386:29: warning: 'minj' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1386 |         rotorKey[idx + 1] = minj;
      |                             ^~~~
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.o
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/locale.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/locale.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/matrix.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/matrix.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/mcdlutil.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/kekulize.cpp: In function 'bool OpenBabel::expandKekulize(OpenBabel::OBMol*, int, std::vector<int>&, std::vector<int>&, OpenBabel::Kekulize::Timeout&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/kekulize.cpp:742:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  742 |     if (bond_idx >= bondState.size())
      |         ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:421:5: warning: multi-line comment [-Wcomment]
  421 |     //                             /     \
      |     ^
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/molchrg.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/molchrg.cpp
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mol.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/mol.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:964:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  964 |     for (i=0; i<bk[an].nb; i++) {
      |               ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:966:13: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  966 |       if (n != bondExcluded) {
      |           ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:978:26: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  978 |               for (k=0; k<rs; k++) if (bondList[k] == (*blStore)[j]) {
      |                         ~^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:991:22: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  991 |           for (j=0; j<rs; j++) {
      |                     ~^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:1013:20: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1013 |         for (i=0; i<nAtoms(); i++) {
      |                   ~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::deleteAtom(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:1392:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1392 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |               ~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:1392:38: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1392 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |                                    ~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'bool OpenBabel::TSimpleMolecule::makeFragment(std::vector<int>&, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:1467:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1467 |           for (j=0; j<list.size(); j++) if (list[j] == l) test1=true;
      |                     ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:1474:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1474 |     } while (k<list.size());
      |              ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::defC(int&, int, int, std::vector<int>&, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2005:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2005 |           for (j=0; j<atomCycle[i].size(); j++) if (atomDefine[atomCycle[i][j]]>0) atDef=atDef+1;
      |                     ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2015:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2015 |       if (cN>=0) if (maxAtDef==atomCycle[cN].size()) {
      |                      ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2030:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2030 |           for (j=1; j<atomCycle[cN].size(); j++) atomCycle[cN][j-1]=atomCycle[cN][j];
      |                     ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2036:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2036 |         for (j=0;j<atomCycle[cN].size()-maxAtDef; j++) {
      |                  ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::defA(int&, int, int, int, std::vector<int>&, std::vector<int>, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2103:98: warning: comparison of integer expressions of different signedness: 'std::vector<int>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
 2103 |       if (baseCycle>0) for (i=0; i<baseCycle; i++) if (cycleDefine[i]==0) if (atomCycle[i].size()<j) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::redraw(std::vector<int>, std::vector<int>, int, int&, int, int, int, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2234:67: warning: comparison of integer expressions of different signedness: 'std::vector<int>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
 2234 |         for (j=0; j<baseCycle; j++) if(cycleDescription[j].size() == cs) {
      |                                        ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2236:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2236 |             for (k=0; k<cycleDescription[j].size(); k++) if (bondList[k] != cycleDescription[j][k]) {
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2260:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2260 |       for (j=1; j<cycleDescription[i].size(); j++) {
      |                 ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::flipSmall(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2981:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 2981 |       for (i=0; i<list1.size(); i++) {
      |                 ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2961:10: warning: variable 'test' set but not used [-Wunused-but-set-variable]
 2961 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::bondEnlarge(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3020:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3020 |     for (i=0; i<list.size(); i++) { //coordinates change
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:2998:10: warning: variable 'test' set but not used [-Wunused-but-set-variable]
 2998 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'bool OpenBabel::TSimpleMolecule::correctDblBondStereo()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3099:26: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare]
 3099 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3099:75: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare]
 3099 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3101:26: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare]
 3101 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3101:75: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare]
 3101 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'bool OpenBabel::compareAtoms(int, int, std::vector<std::vector<int>*>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3123:37: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::vector<int>*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3123 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                  ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3123:63: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::vector<int>*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3123 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                                            ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector<int>&, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3287:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3287 |       for (j=0; j<lL->size(); j++) (*lL)[i]=0;
      |                 ~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3295:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3295 |     for (i=0; i<equivalenceList.size(); i++) equivalenceList[i]=0;
      |               ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3305:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::vector<int>*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3305 |     for (int i=0; i<aeqList.size(); i++) delete(aeqList.at(i));
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'bool OpenBabel::incrementValues(std::vector<int>&, std::vector<int>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3321:13: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'const value_type' {aka 'const int'} [-Wsign-compare]
 3321 |       if (l <= maxValues[i]) {
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'int OpenBabel::TSimpleMolecule::correctOverlapped()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3370:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3370 |       for (i=0; i<rotBondList.size(); i++)
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3423:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3423 |           for (i=0; i<inner_bonds.size(); i++) if (inner_bonds[i] != 0) {
      |                     ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3433:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3433 |           for (i=0; i<remainder.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'void OpenBabel::deleteIntElement(std::vector<int>*, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:3536:44: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 3536 |     for (i=0; i<source->size(); i++) if (i != index) {
      |                                          ~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4212:19: warning: variable 'nBondsOld' set but not used [-Wunused-but-set-variable]
 4212 |     int nAtomsOld,nBondsOld,naDef1,naDef,i;
      |                   ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4213:10: warning: variable 'test' set but not used [-Wunused-but-set-variable]
 4213 |     bool test,test1,test2;
      |          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4213:15: warning: variable 'test1' set but not used [-Wunused-but-set-variable]
 4213 |     bool test,test1,test2;
      |               ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4213:21: warning: variable 'test2' set but not used [-Wunused-but-set-variable]
 4213 |     bool test,test1,test2;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4215:40: warning: variable 'xCenter' set but not used [-Wunused-but-set-variable]
 4215 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4215:48: warning: variable 'yCenter' set but not used [-Wunused-but-set-variable]
 4215 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                                ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector<int>*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4406:35: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4406 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                  ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4406:71: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4406 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                                                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4411:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4411 |     for (i=0; i<list.size(); i++) inverseList[list[i]]=i;
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4414:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4414 |     for (i=0; i<list.size(); i++) {
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4395:10: warning: variable 'test' set but not used [-Wunused-but-set-variable]
 4395 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'int OpenBabel::TEditedMolecule::prepareQuery(OpenBabel::TSimpleMolecule&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4587:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4587 |       for (j=0; j<queryInverse.size(); j++) queryInverse[j]=queryAQTested[j];
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4592:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4592 |       for (i=0; i<queryQHydr.size(); i++) queryQHydr[i]=queryBQTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4597:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4597 |       for (i=0; i<bSTestedStore.size(); i++) bSTestedStore[i]=bSTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TEditedMolecule::removeHydrogen(std::vector<int>*, std::vector<int>*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4632:31: warning: comparison of integer expressions of different signedness: 'std::vector<int>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
 4632 |       if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms());
      |           ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4633:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4633 |       for (i=0; i<qEnumerator->size(); i++) (*qEnumerator)[i]=i;
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4662:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4662 |             for (j=0; j<qEnumerator->size(); j++) {
      |                       ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector<int>*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4849:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4849 |     if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4850:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4850 |     if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4851:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4851 |     if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4852:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4852 |     if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4853 |     if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4854 |     if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4855:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4855 |     if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize());
      |         ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5032:10: warning: suggest explicit braces to avoid ambiguous 'else' [-Wdangling-else]
 5032 |       if (test2) for (j=0; j<molecule1->nBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0;
      |          ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4836:9: warning: variable 'cycleNumber' set but not used [-Wunused-but-set-variable]
 4836 |     int cycleNumber;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'bool OpenBabel::TemplateRedraw::loadTemplates()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5111:24: warning: catching polymorphic type 'class std::exception' by value [-Wcatch-value=]
 5111 |     } catch (exception ex) {
      |                        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5201:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 5201 |     for (i=0; i<mQuery->nAtoms(); i++) aList[mQuery->queryAQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5202:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 5202 |     for (i=0; i<mQuery->nBonds(); i++) bList[mQuery->queryBQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector<int>, int, double, double, double&, double&, double&, double&, double&, double&, int&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5232:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5232 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5277:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5277 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TemplateRedraw::selectFragmentConfiguration(OpenBabel::TSimpleMolecule*, std::vector<int>*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5311:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5311 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5328:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5328 |       for (i=0; i<bondListAll.size(); i++) bondList[i]=bondListAll[i];
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5358:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5358 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5368:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5368 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TemplateRedraw::rescaleSingleFragment(OpenBabel::TSimpleMolecule*, std::vector<int>*, OpenBabel::PartFragmentDefinition&, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5399:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5399 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5412:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5412 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5428:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5428 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5667:17: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5667 |     for (i=kk; i<queryData.size(); i++) if ((TEditedMolecule *)queryData[i]->fragmentSearch(&sm,NULL)) {
      |                ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5715:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5715 |       for (i=0; i<enumerator.size(); i++) enumerator[i]=-1;
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5718:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5718 |       for (i=0; i<enumerator.size(); i++) if (enumerator[i]==-1) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5726:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5726 |         for (j=0; j<enumerator.size(); j++)  if (enumerator[j]==i) {
      |                   ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5798:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5798 |       for (i=0; i<groupsFind.size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5828:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5828 |     for (i=0; i<groupsFind.size(); i++) delete(groupsFind[i]);
      |               ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5656:9: warning: variable 'naStore' set but not used [-Wunused-but-set-variable]
 5656 |     int naStore;
      |         ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TemplateRedraw::redrawFine(OpenBabel::TSimpleMolecule&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5894:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5894 |         for (j=0; j<atomList.size(); j++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5906:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5906 |       for (frCount=0; frCount<molList.size(); frCount++) {
      |                       ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5922:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5922 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5945:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5945 |       for (i=0; i<atomList.size(); i++) atomList[i]=i;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:5960:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 5960 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6000:17: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::PartFragmentDefinition*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6000 |       for (i=0;i<frList.size(); i++) {
      |                ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6007:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::PartFragmentDefinition*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6007 |       for (i=0; i<frList.size(); i++) {
      |                 ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6026:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::StereoBondStore*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6026 |     for (i=0; i<stereoBondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6034:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::StereoBondStore*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6034 |     for (i=0; i<stereoBondList.size(); i++) delete(stereoBondList[i]);
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6035:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::PartFragmentDefinition*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6035 |     for (i=0; i<frList.size(); i++) delete(frList[i]);
      |               ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6036:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::TEditedMolecule*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6036 |     for (i=0; i<molList.size(); i++) delete(molList[i]);
      |               ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'int OpenBabel::indexOf(std::string, std::string, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6358:16: warning: comparison of integer expressions of different signedness: 'int' and 'const size_type' {aka 'const long unsigned int'} [-Wsign-compare]
 6358 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6359:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6359 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'std::string OpenBabel::getAtomMCDL(OpenBabel::OBMol*, int, std::vector<int>, std::vector<int>, std::vector<int>, std::vector<int>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6546:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6546 |         for (j=0; j<priority.size(); j++) priority[j]=0;
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6591:43: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6591 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6593:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6593 |           for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6599:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6599 |             for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6609:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6609 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6612:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6612 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6623:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6623 |       if (k == 1) for (i=0; i<anumStereo.size(); i++) if (anumStereo[i] == -1) {  //all parities should be changed to satisfy..
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6632:34: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6632 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6632:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6632 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6642:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6642 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'std::string OpenBabel::getBondMCDL(OpenBabel::OBMol*, int, int, std::vector<int>, std::vector<int>, int (*)[4], std::vector<int>, std::vector<int>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6843:43: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6843 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6845:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6845 |           for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6850:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6850 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6864:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6864 |                 for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6872:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6872 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) anumStereo[j]=-1;
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6877:34: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6877 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6877:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6877 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6887:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6887 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6680:26: warning: variable 'n4' set but not used [-Wunused-but-set-variable]
 6680 |     int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k;
      |                          ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'void OpenBabel::implementAtomStereo(std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<double>, std::vector<double>, int, int, std::string)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:6960:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 6960 |         if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'void OpenBabel::implementBondStereo(std::vector<int>, std::vector<int>, std::vector<double>&, std::vector<double>&, int, int, std::string)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7024:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7024 |         if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7067:34: warning: catching polymorphic type 'class std::exception' by value [-Wcatch-value=]
 7067 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7081:34: warning: catching polymorphic type 'class std::exception' by value [-Wcatch-value=]
 7081 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'int OpenBabel::groupRedraw(OpenBabel::OBMol*, int, int, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7159:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7159 |       for (i=0; i<atomList.size(); i++) allAtomList[atomList[i]]=1;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7167:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7167 |       for (int i=0; i<atomList.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In function 'bool OpenBabel::parseFormula(std::string, std::vector<int>&, int&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7209:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7209 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7212:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7212 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7233:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7233 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:7236:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 7236 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/obconversion.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obconversion.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'unsigned int OpenBabel::OBMol::NumHvyAtoms()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:783:30: warning: unnecessary parentheses in declaration of 'i' [-Wparentheses]
  783 |     vector<OBAtom*>::iterator(i);
      |                              ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'OpenBabel::OBAtom* OpenBabel::OBMol::NewAtom(long unsigned int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:1654:32: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1654 |               if (vb->GetBgn() > _natoms || vb->GetEnd() > _natoms)
      |                   ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:1654:58: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1654 |               if (vb->GetBgn() > _natoms || vb->GetEnd() > _natoms)
      |                                             ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'bool OpenBabel::OBMol::AddAtom(OpenBabel::OBAtom&, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:1783:32: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1783 |               if (vb->GetBgn() > _natoms || vb->GetEnd() > _natoms)
      |                   ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:1783:58: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1783 |               if (vb->GetBgn() > _natoms || vb->GetEnd() > _natoms)
      |                                             ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'bool OpenBabel::OBMol::StripSalts(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:1853:23: warning: comparison of integer expressions of different signedness: 'std::vector<int>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
 1853 |         if (i->size() < threshold || (threshold == 0 && i != max))
      |             ~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'void OpenBabel::OBMol::SetConformer(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:4178:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4178 |     if (i >= 0 && i < _vconf.size())
      |                   ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'bool OpenBabel::OBMol::MakeDativeBonds()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:4276:35: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 4276 |             bool higherorder = bo > bestbond->GetBondOrder();
      |                                ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp: In member function 'bool OpenBabel::OBMol::ConvertZeroBonds()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:4342:29: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBBond*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4342 |           for (int n = 0; n < bonds.size(); n++) {
      |                           ~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mol.cpp:4364:29: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4364 |           for (int n = 1; n < scores.size(); n++) {
      |                           ~~^~~~~~~~~~~~~~~
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/oberror.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/oberror.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/oberror.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstream.h:333,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obconversion.cpp:53:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstreamimpl.h: In instantiation of 'std::streampos zlib_stream::basic_unzip_streambuf<charT, traits>::seekoff(std::streamoff, std::ios_base::seekdir, std::ios_base::openmode) [with charT = char; traits = std::char_traits<char>; std::streampos = std::fpos<__mbstate_t>; std::streamoff = long int; std::ios_base::seekdir = std::ios_base::seekdir; std::ios_base::openmode = std::ios_base::openmode]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstreamimpl.h:391:3:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstreamimpl.h:401:8: warning: variable 'ch' set but not used [-Wunused-but-set-variable]
  401 |   char ch;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstreamimpl.h: In instantiation of 'std::streampos zlib_stream::basic_unzip_streambuf<charT, traits>::seekpos(std::streampos, std::ios_base::openmode) [with charT = char; traits = std::char_traits<char>; std::streampos = std::fpos<__mbstate_t>; std::ios_base::openmode = std::ios_base::openmode]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstreamimpl.h:444:3:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/zipstreamimpl.h:456:8: warning: variable 'ch' set but not used [-Wunused-but-set-variable]
  456 |   char ch;
      |        ^~
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/obiter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obiter.cpp
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/obutil.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obutil.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp: In member function 'void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/mcdlutil.cpp:4329:16: warning: 'r1' may be used uninitialized in this function [-Wmaybe-uninitialized]
 4329 |         xNew=r1*scale*xu1+this->getAtom(thisAN)->rx;
      |              ~~^~~~~~
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/op.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/op.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/op.cpp
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/parsmart.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/phmodel.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/phmodel.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp: In function 'int OpenBabel::CreateAtom(OpenBabel::Pattern*, OpenBabel::AtomExpr*, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp:450:15: warning: variable 'size' set but not used [-Wunused-but-set-variable]
  450 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp: In function 'int OpenBabel::CreateBond(OpenBabel::Pattern*, OpenBabel::BondExpr*, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp:482:15: warning: variable 'size' set but not used [-Wunused-but-set-variable]
  482 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp: In member function 'OpenBabel::Pattern* OpenBabel::OBSmartsPattern::SMARTSParser(OpenBabel::Pattern*, OpenBabel::ParseState*, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp:1489:45: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1489 |                 for (int nbr_idx=0; nbr_idx < pat->atom[stat->closure[index]].nbrs.size(); ++nbr_idx) {
      |                                     ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp: At global scope:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp:151:14: warning: 'int OpenBabel::GetVectorBinding()' declared 'static' but never defined [-Wunused-function]
  151 |   static int GetVectorBinding();
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp:1716:20: warning: 'OpenBabel::AtomExpr* OpenBabel::NotAtomExpr(OpenBabel::AtomExpr*)' defined but not used [-Wunused-function]
 1716 |   static AtomExpr *NotAtomExpr( AtomExpr *expr )
      |                    ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/parsmart.cpp:293:14: warning: 'int OpenBabel::IsInvalidAtom(OpenBabel::AtomExpr*)' defined but not used [-Wunused-function]
  293 |   static int IsInvalidAtom( AtomExpr *expr )
      |              ^~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/pointgroup.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/rand.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rand.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp: In member function 'int OpenBabel::PointGroupPrivate::establish_pairs(OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:265:32: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  265 |         if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet          */
      |             ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp: In member function 'int OpenBabel::PointGroupPrivate::check_transform_order(OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:309:32: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  309 |         if( elem->transform[i] == i )   /* Identity transform is Ok for any order */
      |             ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:313:34: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  313 |           if( elem->transform[j] == i )
      |               ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp: In member function 'int OpenBabel::PointGroupPrivate::same_transform(OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*, OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:356:31: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  356 |           if( b->transform[j] != i )
      |               ~~~~~~~~~~~~~~~~^~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/residue.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/residue.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp: In member function 'OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:1956:37: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1956 |           || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes?
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:1959:28: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1959 |         if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:1984:33: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1984 |         else if (d->PlanesCount == maxAxis) { // Likely Dnd
      |                  ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:2086:29: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 2086 |     else if (d->PlanesCount >= maxAxis) { // Cnv
      |              ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp: In member function 'void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:2173:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 2173 |     for (unsigned int i = 0; i < d->PlanesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:2180:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 2180 |     for (unsigned int i = 0; i < d->NormalAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/pointgroup.cpp:2187:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 2187 |     for (unsigned int i = 0; i < d->ImproperAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~~~
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotamer.cpp: In member function 'void OpenBabel::OBRotamerList::AddRotamer(std::vector<int>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotamer.cpp:405:11: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  405 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotamer.cpp:407:10: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  407 |          while (angle > 360.0)
      |          ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotamer.cpp: In member function 'bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector<int>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotamer.cpp:538:11: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  538 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotamer.cpp:540:10: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  540 |          while (angle > 360.0)
      |          ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotor.cpp: In member function 'void OpenBabel::OBRotorList::RemoveSymVals(OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotor.cpp:256:69: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  256 |           if (this_side->GetAtomicNum() == 6 && this_side->GetHyb() == hyb && this_side->GetValence() == (hyb + 1) ) {
      |                                                 ~~~~~~~~~~~~~~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/rotor.cpp:256:103: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  256 |           if (this_side->GetAtomicNum() == 6 && this_side->GetHyb() == hyb && this_side->GetValence() == (hyb + 1) ) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/tautomer.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/tautomer.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/spectrophore.cpp:25:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h: In constructor 'OpenBabel::OBSpectrophore::OBSpectrophore()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h:566:31: warning: 'OpenBabel::OBSpectrophore::_numberOfProbes' will be initialized after [-Wreorder]
  566 |          unsigned int         _numberOfProbes;
      |                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h:560:31: warning:   'double** OpenBabel::OBSpectrophore::_property' [-Wreorder]
  560 |          double**             _property;
      |                               ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/spectrophore.cpp:31:1: warning:   when initialized here [-Wreorder]
   31 | OBSpectrophore::OBSpectrophore(void)
      | ^~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/spectrophore.cpp:25:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h: In copy constructor 'OpenBabel::OBSpectrophore::OBSpectrophore(const OpenBabel::OBSpectrophore&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h:567:31: warning: 'OpenBabel::OBSpectrophore::_spectro' will be initialized after [-Wreorder]
  567 |          std::vector<double>  _spectro;
      |                               ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h:560:31: warning:   'double** OpenBabel::OBSpectrophore::_property' [-Wreorder]
  560 |          double**             _property;
      |                               ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/spectrophore.cpp:48:1: warning:   when initialized here [-Wreorder]
   48 | OBSpectrophore::OBSpectrophore(const OBSpectrophore& s)
      | ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/spectrophore.cpp: In member function 'void OpenBabel::OBSpectrophore::_luSolve(double**, std::vector<int>&, double*, unsigned int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/spectrophore.cpp:1905:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1905 |       for (k = 0; k < i; ++k)
      |                   ~~^~~
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/tokenst.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/tokenst.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/transform.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/transform.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/typer.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/typer.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/typer.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/obmolecformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obmolecformat.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/conformersearch.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/transform.cpp: In member function 'virtual OpenBabel::OBBase* OpenBabel::OBMol::DoTransformations(const std::map<std::__cxx11::basic_string<char>, std::__cxx11::basic_string<char> >*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/transform.cpp:201:52: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  201 |           if(itr2!=pOptions->end() && NumHvyAtoms()!=atoi(itr2->second.c_str()))
      |                                       ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obmolecformat.cpp: In static member function 'static bool OpenBabel::OBMoleculeFormat::DoOutputOptions(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obmolecformat.cpp:208:18: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  208 |         for (; c < pmol->NumConformers()-1; ++c) {
      |                ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obmolecformat.cpp: In static member function 'static bool OpenBabel::OBMoleculeFormat::OutputMolsFromReaction(OpenBabel::OBReaction*, OpenBabel::OBConversion*, OpenBabel::OBFormat*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obmolecformat.cpp:444:14: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  444 |     for(i=0;i<pReact->NumReactants();i++)
      |             ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/obmolecformat.cpp:446:14: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  446 |     for(i=0;i<pReact->NumProducts();i++)
      |             ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp: In member function 'virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const RotorKeys&, const std::vector<double*>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:239:12: warning: unused variable 'score' [-Wunused-variable]
  239 |     double score = ff->Energy(false); // no gradients
      |            ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp: In member function 'int OpenBabel::OBConformerSearch::local_opt()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:728:19: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
  728 |     for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri))
      |                 ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp: In member function 'int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:789:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  789 |     if (iniche > -1)
      |         ~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp: In member function 'int OpenBabel::OBConformerSearch::share_fitness()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:944:37: warning: comparison of integer expressions of different signedness: 'std::vector<std::vector<int> >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  944 |         if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2))
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:959:30: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  959 |                     if (dist < min_dist )
      |                         ~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:972:18: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  972 |         if (imax == -1)
      |             ~~~~~^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:988:40: warning: comparison of integer expressions of different signedness: 'std::vector<std::vector<int> >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  988 |             if (dynamic_niches.size () < nb_niches)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:915:10: warning: unused variable 'flag_niched' [-Wunused-variable]
  915 |     bool flag_niched = false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp: In member function 'double OpenBabel::OBConformerSearch::sharing_generation()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:1077:20: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1077 |     while (ninsert < ((half_pop * 2) / 3))
      |            ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:1086:24: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1086 |             if (iround < imax)
      |                 ~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:1094:33: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1094 |                     if (ninsert >= half_pop)
      |                         ~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:1119:20: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1119 |     while (ninsert < half_pop)
      |            ~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:1043:23: warning: unused variable 'lowest' [-Wunused-variable]
 1043 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:1043:37: warning: unused variable 'highest' [-Wunused-variable]
 1043 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                                     ^~~~~~~
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/confsearch.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/distgeom.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:39: warning: ignoring '#pragma warning ' [-Wunknown-pragmas]
   39 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data
      | 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:40: warning: ignoring '#pragma warning ' [-Wunknown-pragmas]
   40 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float'
      | 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:526:3: warning: multi-line comment [-Wcomment]
  526 |   //              \
      |   ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:883:9: warning: multi-line comment [-Wcomment]
  883 |         //        /          \
      |         ^
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/dlhandler_unix.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/dlhandler_unix.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp: In member function 'unsigned int OpenBabel::LFSR::GetNext()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:81:47: warning: suggest parentheses around '-' in operand of '&' [-Wparentheses]
   81 |       _lfsr = (_lfsr >> 1) ^ (unsigned int)(0 - (_lfsr & 1u) & _poly);
      |                                             ~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp: In constructor 'OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:115:20: warning: 'OpenBabel::OBDiversePoses::cutoff' will be initialized after [-Wreorder]
  115 |       const double cutoff;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:109:12: warning:   'bool OpenBabel::OBDiversePoses::_percise' [-Wreorder]
  109 |       bool _percise;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:120:3: warning:   when initialized here [-Wreorder]
  120 |   OBDiversePoses::OBDiversePoses(const OBMol &ref, double RMSD, bool percise):
      |   ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp: In member function 'bool OpenBabel::OBDiversePoses::AddPose(double*, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:146:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  146 |     for (unsigned int a = 0; a < natoms; ++a)
      |                              ~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp: In member function 'bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:185:14: warning: unused variable 'min_rmsd' [-Wunused-variable]
  185 |       double min_rmsd = DBL_MAX;
      |              ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:249:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  249 |       for (int k = *c; k < levels.size(); ++k) {
      |                        ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp: In member function 'std::vector<OpenBabel::vector3> OpenBabel::OBDiversePoses::GetHeavyAtomCoords(const std::vector<OpenBabel::vector3>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:263:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  263 |     for (unsigned int a = 0; a < natoms; ++a)
      |                              ~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp: In member function 'int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:379:23: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
  379 |     for (int i = 1; i < rl.Size() + 1; ++i, rotor = rl.NextRotor(ri)) { // foreach rotor
      |                     ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:417:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<long unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  417 |       for (int i = 0 ; i < rotor_sizes.size(); ++i) {
      |                        ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:432:42: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  432 |     } while (combination != 1 && counter < nconfs); // The LFSR always terminates with a 1
      |                                  ~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/confsearch.cpp:355:9: warning: unused variable 'origLogLevel' [-Wunused-variable]
  355 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp: In member function 'double OpenBabel::OBConformerSearch::MakeSelection()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/conformersearch.cpp:492:31: warning: 'highest' may be used uninitialized in this function [-Wmaybe-uninitialized]
  492 |     double sum = 0.0, lowest, highest;
      |                               ^~~~~~~
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/depict/depict.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp: In member function 'void OpenBabel::OBDistanceGeometry::Set14Bounds()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:481:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  481 |             if (nbr->GetIdx() == path[a] || nbr->GetIdx() == path[c])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:481:59: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  481 |             if (nbr->GetIdx() == path[a] || nbr->GetIdx() == path[c])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:488:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  488 |             if (nbr->GetIdx() == path[d] || nbr->GetIdx() == path[b])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:488:59: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  488 |             if (nbr->GetIdx() == path[d] || nbr->GetIdx() == path[b])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:502:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  502 |             if (nbr->GetIdx() == path[a] || nbr->GetIdx() == path[c])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:502:59: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  502 |             if (nbr->GetIdx() == path[a] || nbr->GetIdx() == path[c])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:508:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  508 |             if (nbr->GetIdx() == path[d] || nbr->GetIdx() == path[b])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:508:59: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type' {aka 'int'} [-Wsign-compare]
  508 |             if (nbr->GetIdx() == path[d] || nbr->GetIdx() == path[b])
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:388:18: warning: unused variable 'i' [-Wunused-variable]
  388 |     unsigned int i, j;
      |                  ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:388:21: warning: unused variable 'j' [-Wunused-variable]
  388 |     unsigned int i, j;
      |                     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:428:19: warning: unused variable 'bond_id' [-Wunused-variable]
  428 |     OBStereo::Ref bond_id;
      |                   ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp: In member function 'OpenBabel::OBCisTransStereo* OpenBabel::OBDistanceGeometry::GetCisTransStereo(OpenBabel::OBBond*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:586:19: warning: unused variable 'bond_id' [-Wunused-variable]
  586 |     OBStereo::Ref bond_id;
      |                   ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp: In member function 'void OpenBabel::OBDistanceGeometry::Set15Bounds()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:616:18: warning: unused variable 'i' [-Wunused-variable]
  616 |     unsigned int i, j;
      |                  ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:616:21: warning: unused variable 'j' [-Wunused-variable]
  616 |     unsigned int i, j;
      |                     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp: In member function 'void OpenBabel::OBDistanceGeometry::TriangleSmooth(int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:747:9: warning: unused variable 'loopCount' [-Wunused-variable]
  747 |     int loopCount = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp: In member function 'void OpenBabel::OBDistanceGeometry::AddConformer()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:1107:27: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1107 |           if (a->GetIdx() == origin || a->GetIdx() == second || a->GetIdx() == third)
      |               ~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:1107:52: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1107 |           if (a->GetIdx() == origin || a->GetIdx() == second || a->GetIdx() == third)
      |                                        ~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:1107:77: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
 1107 |           if (a->GetIdx() == origin || a->GetIdx() == second || a->GetIdx() == third)
      |                                                                 ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/distgeom.cpp:1041:18: warning: unused variable 'attempts' [-Wunused-variable]
 1041 |     unsigned int attempts = 0;
      |                  ^~~~~~~~
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/depict/svgpainter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/svgpainter.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp: In function 'unsigned int OpenBabel::GetAtomSymClass(OpenBabel::OBAtom*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:280:11: warning: unused variable 'nclasses' [-Wunused-variable]
  280 |       int nclasses = end_pos - copy_sym.begin();
      |           ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp: In member function 'virtual void OpenBabel::OBDepictPrivate::DrawAtomLabel(const string&, int, const OpenBabel::vector3&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:966:21: warning: variable 'metrics' set but not used [-Wunused-but-set-variable]
  966 |       OBFontMetrics metrics = painter->GetFontMetrics(str);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:971:21: warning: variable 'metrics' set but not used [-Wunused-but-set-variable]
  971 |       OBFontMetrics metrics = painter->GetFontMetrics(subscript);
      |                     ^~~~~~~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/depict/svgpainter.h: In constructor 'OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >*, bool, double, double)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/depict/svgpainter.h:77:11: warning: 'OpenBabel::SVGPainter::m_fontPointSize' will be initialized after [-Wreorder]
   77 |       int m_fontPointSize;
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/depict/svgpainter.h:75:12: warning:   'bool OpenBabel::SVGPainter::m_isFillcolor' [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/depict/svgpainter.h:75:12: warning: 'OpenBabel::SVGPainter::m_isFillcolor' will be initialized after [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/depict/svgpainter.h:74:32: warning:   'std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >* OpenBabel::SVGPainter::m_Gradients' [-Wreorder]
   74 |       std::set<ColorGradient> *m_Gradients;
      |                                ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/math/matrix3x3.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/matrix3x3.cpp
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/math/spacegroup.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/spacegroup.cpp
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/math/transform3d.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/transform3d.cpp
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/math/vector3.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/vector3.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/math/align.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/align.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp: In member function 'bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:423:25: warning: 'max_z' may be used uninitialized in this function [-Wmaybe-uninitialized]
  423 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:423:25: warning: 'min_z' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:421:22: warning: 'max_y' may be used uninitialized in this function [-Wmaybe-uninitialized]
  421 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:421:22: warning: 'min_y' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:420:22: warning: 'max_x' may be used uninitialized in this function [-Wmaybe-uninitialized]
  420 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/depict.cpp:420:22: warning: 'min_x' may be used uninitialized in this function [-Wmaybe-uninitialized]
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/stereo.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/stereo.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/tetranonplanar.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/tetranonplanar.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp: In static member function 'static void OpenBabel::OBStereo::Permutate(OpenBabel::OBStereo::Refs&, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp:77:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<long unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
   77 |     if (i < 0 || i >= refs.size())
      |                  ~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp:79:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<long unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
   79 |     if (j < 0 || j >= refs.size())
      |                  ~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp: In static member function 'static OpenBabel::OBStereo::Refs OpenBabel::OBStereo::Permutated(const Refs&, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp:88:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<long unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
   88 |     if (i < 0 || i >= refs.size())
      |                  ~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/stereo.cpp:90:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<long unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
   90 |     if (j < 0 || j >= refs.size())
      |                  ~~^~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/tetraplanar.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/tetraplanar.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/align.cpp: In member function 'std::vector<OpenBabel::vector3> OpenBabel::OBAlign::GetAlignment()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/math/align.cpp:399:45: warning: comparison of integer expressions of different signedness: 'std::vector<OpenBabel::vector3>::size_type' {aka 'long unsigned int'} and 'Eigen::Index' {aka 'long int'} [-Wsign-compare]
  399 |       for (vector<vector3>::size_type i=0; i<mtarget.cols(); ++i)
      |                                            ~^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/squareplanar.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/squareplanar.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/cistrans.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/cistrans.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/tetrahedral.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/tetrahedral.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/perception.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/openbabel.dir/stereo/facade.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/facade.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp: In function 'bool OpenBabel::TetStereoToWedgeHash(OpenBabel::OBMol&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&, std::map<OpenBabel::OBBond*, long unsigned int>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:2780:23: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 2780 |             if (score > max_bond_score) {
      |                 ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:2712:5: warning: this 'for' clause does not guard... [-Wmisleading-indentation]
 2712 |     for (std::vector<OBGenericData*>::iterator data = vdata.begin(); data != vdata.end(); ++data)
      |     ^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:2849:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for'
 2849 |       return true;
      |       ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp: In function 'void OpenBabel::StereoRefToImplicit(OpenBabel::OBMol&, OpenBabel::OBStereo::Ref)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:2871:16: warning: 'template<class _Operation> class std::binder1st' is deprecated [-Wdeprecated-declarations]
 2871 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/10/bits/stl_function.h:1392,
                 from /usr/include/c++/10/bits/stl_tree.h:65,
                 from /usr/include/c++/10/map:60,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/base.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:25:
/usr/include/c++/10/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp: In function 'void OpenBabel::ImplicitRefToStereo(OpenBabel::OBMol&, OpenBabel::OBStereo::Ref, OpenBabel::OBStereo::Ref)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:2903:16: warning: 'template<class _Operation> class std::binder1st' is deprecated [-Wdeprecated-declarations]
 2903 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
In file included from /usr/include/c++/10/bits/stl_function.h:1392,
                 from /usr/include/c++/10/bits/stl_tree.h:65,
                 from /usr/include/c++/10/map:60,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/base.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/stereo/perception.cpp:25:
/usr/include/c++/10/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_forcefields.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_forcefields.dir/depend.internal".
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger2.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/addfilename.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/addfilename.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/addinindex.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/addinindex.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_charges.dir/charges/gasteiger.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/gasteiger.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/addpolarh.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/addpolarh.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger3.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger3.cpp: In member function 'virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector<unsigned int>&, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger3.cpp:108:13: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  108 |     while(n < _bitcount)
      |           ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger3.cpp: In member function 'virtual std::string OpenBabel::PatternFP::DescribeBits(std::vector<unsigned int>, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger3.cpp:257:34: warning: operation on 'div' may be undefined [-Wsequence-point]
  257 |         ngrp = (num + div -1)/div--; //rounds up
      |                               ~~~^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/finger3.cpp:257:34: warning: operation on 'div' may be undefined [-Wsequence-point]
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/addnonpolarh.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/fingerprints/fingerecfp.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldghemical.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/canonical.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/canonical.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_charges.dir/charges/mmff94.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/mmff94.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o  -lm -ldl -lz ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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[ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_charges.dir/charges/fromfile.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/fromfile.cpp
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/changecell.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/changecell.cpp
[ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_charges.dir/charges/eqeq.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/eqeq.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/changecell.cpp: In member function 'virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/changecell.cpp:83:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OpChangeCell::vc_val>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
   83 |   for(int i = 0; i < vcvs.size(); i++)
      |                  ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/changecell.cpp:114:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OpChangeCell::vc_val>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  114 |     for(int i = 0; i < vcvs.size(); i++)
      |                    ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/fromfile.cpp: In member function 'virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/fromfile.cpp:96:22: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
   96 |   for ( int i = 1; i <= mol.NumAtoms(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/delpolarh.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/delpolarh.cpp
make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_descriptors.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_descriptors.dir/depend.internal".
Scanning dependencies of target plugin_descriptors
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 19%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/cansmidescriptor.cpp
[ 19%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp
[ 19%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/cmpdfilter.cpp
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/delnonpolarh.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In member function 'virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:2790:32: warning: variable 'bondtype1' set but not used [-Wunused-but-set-variable]
 2790 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:2790:43: warning: variable 'bondtype2' set but not used [-Wunused-but-set-variable]
 2790 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                           ^~~~~~~~~
[ 20%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/groupcontrib.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:288:41:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:140:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  140 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:288:59:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:140:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:294:42:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:255:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  255 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:294:61:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:255:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:300:43:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:368:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  368 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:300:63:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:368:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:306:44:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:504:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  504 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:306:65:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:504:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:312:40:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:602:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  602 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:312:57:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:602:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:318:40:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:699:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  699 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:318:57:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:699:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:324:50:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:785:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  785 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.h:324:77:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:785:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/gen2D.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/gen2D.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp: In member function 'bool OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:1443:30: warning: 'first_rj' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1443 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefieldmmff94.cpp:1443:30: warning: 'index' may be used uninitialized in this function [-Wmaybe-uninitialized]
[ 20%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/filters.cpp
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/fillUC.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/fillUC.cpp
[ 20%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/inchidescriptor.cpp
[ 21%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_charges.dir/charges/qeq.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/qeq.cpp
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/forcefield.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/forcefield.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/inchidescriptor.cpp:24:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h: In member function 'bool OpenBabel::InChIFormat::InchiLess::operator()(const string&, const string&) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:150:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  150 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:150:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  150 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:155:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  155 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:155:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  155 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
[ 21%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/forcefield.cpp: In member function 'virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/forcefield.cpp:235:10: warning: unused variable 'done' [-Wunused-variable]
  235 |     bool done = true;
      |          ^~~~
[ 21%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/descriptors/smartsdescriptors.cpp
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/gen3d.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/gen3d.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp: In instantiation of 'void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = true]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp:470:37:   required from 'double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = true]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.h:192:38:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp:423:14: warning: unused variable 'ab' [-Wunused-variable]
  423 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp: In instantiation of 'void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = false]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp:470:37:   required from 'double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = false]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.h:192:55:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/forcefields/forcefielduff.cpp:423:14: warning: unused variable 'ab' [-Wunused-variable]
[ 22%] Linking CXX shared module ../lib64/plugin_descriptors.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o  -lm -ldl -lz ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchemjsonformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchemjsonformat.dir/depend.internal".
Scanning dependencies of target pubchemjsonformat
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make -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 22%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/pubchemjsonformat.cpp
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/largest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/largest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/pubchemjsonformat.cpp: In member function 'virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/pubchemjsonformat.cpp:108:41: warning: comparison of integer expressions of different signedness: 'Json::Value::ArrayIndex' {aka 'unsigned int'} and 'int' [-Wsign-compare]
  108 |       if (inRoot["PC_Compounds"].size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/pubchemjsonformat.cpp:119:42: warning: comparison of integer expressions of different signedness: 'Json::Value::ArrayIndex' {aka 'unsigned int'} and 'int' [-Wsign-compare]
  119 |       if (inRoot["PC_Substances"].size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o  -lm -ldl -lz ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 22%] Built target plugin_forcefields
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlreactformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlreactformat.dir/depend.internal".
Scanning dependencies of target cmlreactformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 22%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/loader.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/loader.cpp
[ 22%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/jsoncpp.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pubchemjsonformat.dir/json/jsoncpp.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/jsoncpp.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp: In member function 'virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp:516:12: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  516 |   for(i=0;i<pReact->NumReactants();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp:538:12: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  538 |   for(i=0;i<pReact->NumProducts();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp: In member function 'bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp:702:9: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch]
  702 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp:730:9: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch]
  730 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp:730:9: warning: enumeration value 'SRI' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp: In member function 'void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlreactformat.cpp:769:26: warning: unused variable 'C_TITLE' [-Wunused-variable]
  769 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/opsplit.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opsplit.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opsplit.cpp: In member function 'virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opsplit.cpp:92:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
   92 |   if(!pConv)
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
   95 |     if(pConv->IsFirstInput())
      |     ^~
[ 23%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cmlreactformat.dir/xml/xml.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/xml.cpp
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/optransform.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/optransform.cpp
[ 24%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/customwriter.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pubchemjsonformat.dir/json/customwriter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp: In member function 'void Json::CustomWriter::writeValue(const Json::Value&, std::string&, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:83:34: warning: comparison of integer expressions of different signedness: 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
   83 |             if (valLine.length() > maxWidth_)
      |                 ~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:96:36: warning: comparison of integer expressions of different signedness: 'int' and 'Json::Value::ArrayIndex' {aka 'unsigned int'} [-Wsign-compare]
   96 |          for ( int index =0; index < value.size(); ++index )
      |                              ~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:104:24: warning: comparison of integer expressions of different signedness: 'int' and 'Json::Value::ArrayIndex' {aka 'unsigned int'} [-Wsign-compare]
  104 |             if ( index < value.size()-1 )
      |                  ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:123:34: warning: comparison of integer expressions of different signedness: 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  123 |             if (valLine.length() > maxWidth_)
      |                 ~~~~~~~~~~~~~~~~~^~~~~~~~~~~
[ 25%] Linking CXX shared module ../../lib64/pubchemjsonformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.o CMakeFiles/pubchemjsonformat.dir/json/jsoncpp.o CMakeFiles/pubchemjsonformat.dir/json/customwriter.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 25%] Built target pubchemjsonformat
[ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/partialcharges.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/partialcharges.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o CMakeFiles/cmlreactformat.dir/xml/xml.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cmlformat.dir/xml/cmlformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_charges.dir/charges/qtpie.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/charges/qtpie.cpp
make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cdxmlformat.dir/depend.internal".
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cdxmlformat.cpp
[ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/readconformers.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/readconformers.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp: In member function 'bool OpenBabel::CMLFormat::DoHCounts()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp:929:27: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  929 |         for(unsigned i=0;i<iter->second - explH;++i)
      |                          ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp: In member function 'void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp:1232:26: warning: unused variable 'C_TITLE' [-Wunused-variable]
 1232 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp: In member function 'std::string OpenBabel::CMLFormat::getTimestr()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp:1282:12: warning: variable 'time_res' set but not used [-Wunused-but-set-variable]
 1282 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp: In member function 'virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp:1329:26: warning: unused variable 'C_DESCRIPTION' [-Wunused-variable]
 1329 |     static const xmlChar C_DESCRIPTION[]      = "description";
      |                          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp: In member function 'bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/cmlformat.cpp:2289:26: warning: unused variable 'C_SCALAR' [-Wunused-variable]
 2289 |     static const xmlChar C_SCALAR[]       = "scalar";
      |                          ^~~~~~~~
[ 26%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cdxmlformat.dir/xml/xml.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/xml.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/sort.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/sort.cpp
[ 26%] Linking CXX shared module ../../lib64/cdxmlformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.o CMakeFiles/cdxmlformat.dir/xml/xml.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/png2format.dir/depend.internal".
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Scanning dependencies of target png2format
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/png2format.dir/png2format.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/png2format.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/opisomorph.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opisomorph.cpp
[ 26%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cmlformat.dir/xml/xml.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/xml.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/png2format.cpp: In member function 'virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/png2format.cpp:102:42: warning: comparison of integer expressions of different signedness: 'std::vector<OpenBabel::OBBase*>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  102 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/png2format.cpp:132:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBBase*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  132 |       pConv->SetLast(n==_objects.size());
      |                      ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opisomorph.cpp: In member function 'virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opisomorph.cpp:300:28: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  300 |     if(pmol->NumHvyAtoms() != nPatternAtoms)
      |        ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
[ 26%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/png2format.dir/__/depict/cairopainter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/cairopainter.cpp
[ 26%] Linking CXX shared module ../../lib64/cmlformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.o CMakeFiles/cmlformat.dir/xml/xml.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rsmiformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rsmiformat.dir/depend.internal".
Scanning dependencies of target rsmiformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 26%] Linking CXX shared module ../../lib64/png2format.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
[ 27%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/rsmiformat.dir/rsmiformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/rsmiformat.cpp
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.o CMakeFiles/png2format.dir/__/depict/cairopainter.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 27%] Built target png2format
make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawcdx.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawcdx.dir/depend.internal".
Scanning dependencies of target chemdrawcdx
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 28%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp
[ 29%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/ophighlight.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/ophighlight.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp: In member function 'bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBReaction*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp:331:25: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  331 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each reactant id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp:343:25: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  343 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each product id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp: In member function 'bool OpenBabel::ChemDrawBinaryXFormat::DoFragment(OpenBabel::CDXReader&, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp:435:21: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  435 |   for(int idx=1; idx<=pmol->NumAtoms();++idx)
      |                  ~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp: In member function 'bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map<int, unsigned int>&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp:454:27: warning: variable 'hasElement' set but not used [-Wunused-but-set-variable]
  454 |       bool isAlias=false, hasElement=false;
      |                           ^~~~~~~~~~
[ 29%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/xout.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/xout.cpp
[ 29%] Linking CXX shared module ../../lib64/rsmiformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/yasaraformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/yasaraformat.dir/depend.internal".
Scanning dependencies of target yasaraformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 29%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/yasaraformat.dir/yasaraformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp:591:28: warning: 'endIdx' may be used uninitialized in this function [-Wmaybe-uninitialized]
  591 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawcdx.cpp:591:17: warning: 'bgnIdx' may be used uninitialized in this function [-Wmaybe-uninitialized]
  591 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp: In function 'OpenBabel::mobatom* OpenBabel::mob_next(OpenBabel::mobatom*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:39:33: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing]
   39 | #define mem_inc(POINTER,INC) (*((char**)&(POINTER))+=(INC))
      |                                ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:221:3: note: in expansion of macro 'mem_inc'
  221 | { mem_inc(atom,mob_atomsize(atom));
      |   ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp: In member function 'virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:368:21: warning: variable 'reslen' set but not used [-Wunused-but-set-variable]
  368 |   int /*samenames,*/reslen,charged;
      |                     ^~~~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/conformer.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/conformer.cpp
[ 29%] Linking CXX shared module ../../lib64/chemdrawcdx.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xedformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xedformat.dir/depend.internal".
Scanning dependencies of target xedformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 29%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/xedformat.dir/xedformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xedformat.cpp
In file included from /usr/include/string.h:495,
                 from /usr/include/c++/10/cstring:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/data.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:45,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:34:
In function 'void* memcpy(void*, const void*, size_t)',
    inlined from 'virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:432:82:
/usr/include/bits/string_fortified.h:34:33: warning: 'void* __builtin_memcpy(void*, const void*, long unsigned int)' accessing 4 bytes at offsets 0 and 1 overlaps 3 bytes at offset 1 [-Wrestrict]
   34 |   return __builtin___memcpy_chk (__dest, __src, __len, __bos0 (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp: In function 'void OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:239:26: warning: array subscript 4 is above array bounds of 'int32 [4]' {aka 'int [4]'} [-Warray-bounds]
  239 |   { inscodealtloc=int32le(atom->link[idpos++]);
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:186:9: note: while referencing 'OpenBabel::mobatom::link'
  186 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:247:60: warning: array subscript 4 is above array bounds of 'int32 [4]' {aka 'int [4]'} [-Warray-bounds]
  247 |   if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++];
      |                                          ~~~~~~~~~~~~~~~~~~^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:186:9: note: while referencing 'OpenBabel::mobatom::link'
  186 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp: In member function 'virtual bool OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:562:36: warning: '__builtin___snprintf_chk' output truncated before the last format character [-Wformat-truncation=]
  562 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/yasaraformat.cpp:34:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 12 bytes into a destination of size 4
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 29%] Linking CXX shared module ../lib64/plugin_charges.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.o CMakeFiles/plugin_charges.dir/charges/gasteiger.o CMakeFiles/plugin_charges.dir/charges/none.o CMakeFiles/plugin_charges.dir/charges/mmff94.o CMakeFiles/plugin_charges.dir/charges/fromfile.o CMakeFiles/plugin_charges.dir/charges/eqeq.o CMakeFiles/plugin_charges.dir/charges/qeq.o CMakeFiles/plugin_charges.dir/charges/qtpie.o  -lm -ldl -lz ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 29%] Linking CXX shared module ../../lib64/yasaraformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 29%] Built target yasaraformat
make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/viewmolformat.dir/depend.internal".
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 30%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/viewmolformat.dir/viewmolformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/viewmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 30%] Built target plugin_charges
make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
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[ 30%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/unichemformat.dir/unichemformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/unichemformat.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/plugin_ops.dir/ops/opalign.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opalign.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/xedformat.so CMakeFiles/xedformat.dir/xedformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/shelxformat.dir/depend.internal".
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/shelxformat.dir/shelxformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/shelxformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opconfab.cpp: In member function 'void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/opconfab.cpp:160:14: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  160 |     for (; c < mol.NumConformers(); ++c) {
      |            ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pointcloudformat.dir/depend.internal".
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Scanning dependencies of target pointcloudformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pointcloudformat.dir/pointcloudformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pointcloudformat.cpp
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msiformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msiformat.dir/depend.internal".
Scanning dependencies of target msiformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 30%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/msiformat.dir/msiformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pointcloudformat.cpp: In member function 'virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pointcloudformat.cpp:217:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  217 |     for( int j = 0; j < radius_mult_list.size(); j++ ) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.o CMakeFiles/plugin_ops.dir/ops/addinindex.o CMakeFiles/plugin_ops.dir/ops/addpolarh.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o CMakeFiles/plugin_ops.dir/ops/canonical.o CMakeFiles/plugin_ops.dir/ops/changecell.o CMakeFiles/plugin_ops.dir/ops/delpolarh.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o CMakeFiles/plugin_ops.dir/ops/gen2D.o CMakeFiles/plugin_ops.dir/ops/fillUC.o CMakeFiles/plugin_ops.dir/ops/forcefield.o CMakeFiles/plugin_ops.dir/ops/gen3d.o CMakeFiles/plugin_ops.dir/ops/largest.o CMakeFiles/plugin_ops.dir/ops/loader.o CMakeFiles/plugin_ops.dir/ops/opsplit.o CMakeFiles/plugin_ops.dir/ops/optransform.o CMakeFiles/plugin_ops.dir/ops/partialcharges.o CMakeFiles/plugin_ops.dir/ops/readconformers.o CMakeFiles/plugin_ops.dir/ops/sort.o CMakeFiles/plugin_ops.dir/ops/opisomorph.o CMakeFiles/plugin_ops.dir/ops/ophighlight.o CMakeFiles/plugin_ops.dir/ops/xout.o CMakeFiles/plugin_ops.dir/ops/conformer.o CMakeFiles/plugin_ops.dir/ops/opalign.o CMakeFiles/plugin_ops.dir/ops/opconfab.o  -lm -ldl -lz ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 32%] Linking CXX shared module ../../lib64/shelxformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpqcformat.dir/depend.internal".
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
Scanning dependencies of target mpqcformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
[ 33%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpqcformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/mpqcformat.dir/mpqcformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mpqcformat.cpp
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mmcifformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mmcifformat.dir/depend.internal".
Scanning dependencies of target mmcifformat
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[ 33%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/mmcifformat.dir/mmcifformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mmcifformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp: In member function 'virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:71:17: warning: unused variable 'title' [-Wunused-variable]
   71 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
[ 33%] Linking CXX shared module ../../lib64/pointcloudformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pdbqtformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pdbqtformat.dir/depend.internal".
Scanning dependencies of target pdbqtformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 33%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pdbqtformat.dir/pdbqtformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:51,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:15:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/generic.h:366:60: warning: 'sg' may be used uninitialized in this function [-Wmaybe-uninitialized]
  366 |     void SetSpaceGroup(const SpaceGroup* sg) { _spaceGroup = sg; }
      |                                                ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:106:23: note: 'sg' was declared here
  106 |     const SpaceGroup *sg;
      |                       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:189:28: warning: 'atom' may be used uninitialized in this function [-Wmaybe-uninitialized]
  189 |             atom->SetVector(atof(vs[3].c_str()),
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
  190 |                             atof(vs[4].c_str()),
      |                             ~~~~~~~~~~~~~~~~~~~~
  191 |                             atof(vs[5].c_str()));
      |                             ~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:235:24: warning: 'bondOrder' may be used uninitialized in this function [-Wmaybe-uninitialized]
  235 |             mol.AddBond(startBondAtom - 1, endBondAtom - 1, bondOrder);
      |             ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:235:56: warning: 'endBondAtom' may be used uninitialized in this function [-Wmaybe-uninitialized]
  235 |             mol.AddBond(startBondAtom - 1, endBondAtom - 1, bondOrder);
      |                                            ~~~~~~~~~~~~^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msiformat.cpp:235:39: warning: 'startBondAtom' may be used uninitialized in this function [-Wmaybe-uninitialized]
  235 |             mol.AddBond(startBondAtom - 1, endBondAtom - 1, bondOrder);
      |                         ~~~~~~~~~~~~~~^~~
[ 33%] Linking CXX shared module ../../lib64/msiformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 33%] Built target msiformat
make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lpmdformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lpmdformat.dir/depend.internal".
Scanning dependencies of target lpmdformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 33%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/lpmdformat.dir/lpmdformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp: In function 'bool OpenBabel::OutputTree(OpenBabel::OBConversion*, OpenBabel::OBMol&, std::ostream&, std::map<unsigned int, OpenBabel::branch>&, unsigned int, bool, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:580:20: warning: unused variable 'child' [-Wunused-variable]
  580 |       unsigned int child=i;
      |                    ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp: In function 'bool OpenBabel::Separate_preserve_charges(OpenBabel::OBMol&, std::vector<OpenBabel::OBMol>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:794:9: warning: unused variable 'fragments' [-Wunused-variable]
  794 |     int fragments = 0;
      |         ^~~~~~~~~
[ 33%] Linking CXX shared module ../../lib64/mpqcformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 33%] Built target mpqcformat
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msmsformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msmsformat.dir/depend.internal".
Scanning dependencies of target msmsformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 33%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/msmsformat.dir/msmsformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/msmsformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:747:16: warning: 'unsigned int OpenBabel::AtomsSoFar(const std::map<unsigned int, OpenBabel::branch>&, unsigned int)' defined but not used [-Wunused-function]
  747 |   unsigned int AtomsSoFar(const map <unsigned int, branch> & tree, unsigned int depth)
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp: In member function 'virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:190:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  190 |   if(int(headers.size()-1)!=tokens.size())
      |      ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:204:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  204 |   for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR
      |                 ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:237:11: warning: unused variable 'FX' [-Wunused-variable]
  237 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:237:32: warning: unused variable 'FY' [-Wunused-variable]
  237 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:237:53: warning: unused variable 'FZ' [-Wunused-variable]
  237 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                                     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp: In member function 'virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:360:18: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  360 |   for(int i=0; i < mol.NumAtoms() ; ++i)
      |                ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lpmdformat.cpp:376:15: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  376 |  for(int i=0;i<mol.NumAtoms();++i)
      |              ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp: In function 'void OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::ostream&, unsigned int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:334:52: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  334 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:24:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:351:60: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  351 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:24:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 34%] Linking CXX shared module ../../lib64/mmcifformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 35%] Linking CXX shared module ../../lib64/msmsformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
[ 35%] Built target mmcifformat
make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lmpdatformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lmpdatformat.dir/depend.internal".
Scanning dependencies of target lmpdatformat
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[ 36%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/lmpdatformat.dir/lmpdatformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 36%] Built target msmsformat
make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/ghemicalformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/ghemicalformat.dir/depend.internal".
Scanning dependencies of target ghemicalformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 36%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/ghemicalformat.dir/ghemicalformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/ghemicalformat.cpp
In file included from /usr/include/string.h:495,
                 from /usr/include/c++/10/cstring:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/data.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:45,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:24:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'virtual bool OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbqtformat.cpp:915:22:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' specified bound 10 equals destination size [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 36%] Linking CXX shared module ../../lib64/lpmdformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 36%] Built target lpmdformat
make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smileyformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smileyformat.dir/depend.internal".
Scanning dependencies of target smileyformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 37%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/smileyformat.dir/smileyformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp
[ 37%] Linking CXX shared module ../../lib64/pdbqtformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 37%] Built target pdbqtformat
make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/groformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/groformat.dir/depend.internal".
Scanning dependencies of target groformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 37%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/groformat.dir/groformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/groformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp: In member function 'virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:271:13: warning: unused variable 'length' [-Wunused-variable]
  271 |      double length=cmax-cmin;
      |             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:361:11: warning: unused variable 'atomid' [-Wunused-variable]
  361 |       int atomid=5;
      |           ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:362:14: warning: unused variable 'charge' [-Wunused-variable]
  362 |       double charge=0.5;
      |              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp: In member function 'void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector<int>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'NotChiral' not handled in switch [-Wswitch]
  153 |       switch (chirality) {
      |              ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TH1' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TH2' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'AL1' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'AL2' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'SP1' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'SP2' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'SP3' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB1' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB2' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB3' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB4' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB5' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB6' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB7' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB8' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB9' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB10' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB11' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB12' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB13' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB14' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB15' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB16' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB17' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB18' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB19' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'TB20' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH1' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH2' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH3' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH4' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH5' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH6' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH7' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH8' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH9' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH10' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH11' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH12' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH13' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH14' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH15' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH16' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH17' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH18' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH19' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH20' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH21' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH22' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH23' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH24' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH25' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH26' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH27' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH28' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH29' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:153:14: warning: enumeration value 'OH30' not handled in switch [-Wswitch]
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:20:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h: In instantiation of 'void Smiley::Parser<Callback>::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:2707:9:   required from 'void Smiley::Parser<Callback>::parse(const string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:365:26:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: 'std::vector<int>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
 2642 |           if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence)
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
[ 38%] Linking CXX shared module ../../lib64/ghemicalformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target ghemicalformat
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/freefracformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/freefracformat.dir/depend.internal".
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h: In instantiation of 'Smiley::Parser<Callback>::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:2409:41:   required from 'void Smiley::Parser<Callback>::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:2429:11:   required from 'void Smiley::Parser<Callback>::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:2507:13:   required from 'void Smiley::Parser<Callback>::parseChain() [with Callback = OpenBabel::OpenBabelCallback]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:2698:9:   required from 'void Smiley::Parser<Callback>::parse(const string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smileyformat.cpp:365:26:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:986:14: warning: 'Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::isExplicit' will be initialized after [-Wreorder]
  986 |         bool isExplicit;
      |              ^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:981:21: warning:   'std::size_t Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::pos' [-Wreorder]
  981 |         std::size_t pos;
      |                     ^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smiley.h:974:9: warning:   when initialized here [-Wreorder]
  974 |         RingBondInfo(int number_, int order_, bool isUp_, bool isDown_,
      |         ^~~~~~~~~~~~
Scanning dependencies of target freefracformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/freefracformat.dir/freefracformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/freefracformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:528:38: warning: '%11s' directive output may be truncated writing between 11 and 32767 bytes into a region of size between 32695 and 32736 [-Wformat-truncation=]
  528 |          "%-4d %4d %4d %4d %4d %4d # %11s\n",
      |                                      ^~~~
......
  535 |          DihedralString);
      |          ~~~~~~~~~~~~~~               
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:15:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 45 and 32842 bytes into a destination of size 32768
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:510:38: warning: '%11s' directive output may be truncated writing between 11 and 32767 bytes into a region of size between 32695 and 32736 [-Wformat-truncation=]
  510 |          "%-4d %4d %4d %4d %4d %4d # %11s\n",
      |                                      ^~~~
......
  517 |          DihedralString);
      |          ~~~~~~~~~~~~~~               
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:15:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 45 and 32842 bytes into a destination of size 32768
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:468:33: warning: '%8s' directive output may be truncated writing between 8 and 32767 bytes into a region of size between 32707 and 32741 [-Wformat-truncation=]
  468 |         "%-4d %4d %4d %4d %4d # %8s\n",
      |                                 ^~~
......
  474 |         AngleString);
      |         ~~~~~~~~~~~              
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:15:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 37 and 32830 bytes into a destination of size 32768
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:452:33: warning: '%8s' directive output may be truncated writing between 8 and 32767 bytes into a region of size between 32707 and 32741 [-Wformat-truncation=]
  452 |         "%-4d %4d %4d %4d %4d # %8s\n",
      |                                 ^~~
......
  458 |         AngleString);
      |         ~~~~~~~~~~~              
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/lmpdatformat.cpp:15:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 37 and 32830 bytes into a destination of size 32768
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 38%] Linking CXX shared module ../../lib64/lmpdatformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target lmpdatformat
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fpsformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fpsformat.dir/depend.internal".
Scanning dependencies of target fpsformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/fpsformat.dir/fpsformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fpsformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/groformat.cpp: In member function 'virtual bool OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/groformat.cpp:273:19: warning: 'res' may be used uninitialized in this function [-Wmaybe-uninitialized]
  273 |       res->AddAtom(atom);
      |       ~~~~~~~~~~~~^~~~~~
[ 38%] Linking CXX shared module ../../lib64/groformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target groformat
make -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend.internal".
Scanning dependencies of target chemdoodlejsonformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/chemdoodlejsonformat.cpp
[ 38%] Linking CXX shared module ../../lib64/smileyformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target smileyformat
make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhformat.dir/depend.internal".
Scanning dependencies of target fhformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fpsformat.cpp: In member function 'virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fpsformat.cpp:146:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  146 |   for(unsigned i=0;i<(_nbits+31)/32;++i)
      |                    ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fpsformat.cpp: In member function 'std::string OpenBabel::FPSFormat::getTimeStr()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fpsformat.cpp:169:10: warning: variable 'time_res' set but not used [-Wunused-but-set-variable]
  169 |   size_t time_res;                             /* Result of strftime                */
      |          ^~~~~~~~
[ 38%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.o
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/fingerprintformat.dir/fingerprintformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fingerprintformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/chemdoodlejsonformat.cpp: In member function 'virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/chemdoodlejsonformat.cpp:103:30: warning: comparison of integer expressions of different signedness: 'Json::Value::ArrayIndex' {aka 'unsigned int'} and 'int' [-Wsign-compare]
  103 |       if (inRoot["m"].size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/chemdoodlejsonformat.cpp:159:23: warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized]
  159 |       patom->SetVector(x,y,z);
      |       ~~~~~~~~~~~~~~~~^~~~~~~
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gromos96format.dir/depend.internal".
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fastaformat.cpp: In function 'void OpenBabel::add_residue(OpenBabel::OBMol*, OpenBabel::OBResidue*, double, double, long unsigned int&, OpenBabel::ResidueRecord*, int, OpenBabel::OBAtom*&, bool, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fastaformat.cpp:387:33: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  387 |             else if (atom_count > resBondFromOffset)
      |                      ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
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[ 40%] Built target featformat
[ 40%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/customwriter.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/chemdoodlejsonformat.dir/json/customwriter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp
In file included from /usr/include/string.h:495,
                 from /usr/include/c++/10/cstring:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/data.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:45,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gromos96format.cpp:54:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'virtual bool OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gromos96format.cpp:140:20:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' specified bound 16 equals destination size [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'virtual bool OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gromos96format.cpp:132:20:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' specified bound 16 equals destination size [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'virtual bool OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gromos96format.cpp:134:20:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' specified bound 16 equals destination size [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 40%] Linking CXX shared module ../../lib64/gromos96format.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Built target gromos96format
make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fastsearchformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fastsearchformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/exyzformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/exyzformat.dir/depend.internal".
Scanning dependencies of target fastsearchformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
Scanning dependencies of target exyzformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dexyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/exyzformat.dir/exyzformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/exyzformat.cpp
[ 40%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/fastsearchformat.dir/fastsearchformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fastsearchformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp: In member function 'void Json::CustomWriter::writeValue(const Json::Value&, std::string&, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:83:34: warning: comparison of integer expressions of different signedness: 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
   83 |             if (valLine.length() > maxWidth_)
      |                 ~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:96:36: warning: comparison of integer expressions of different signedness: 'int' and 'Json::Value::ArrayIndex' {aka 'unsigned int'} [-Wsign-compare]
   96 |          for ( int index =0; index < value.size(); ++index )
      |                              ~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:104:24: warning: comparison of integer expressions of different signedness: 'int' and 'Json::Value::ArrayIndex' {aka 'unsigned int'} [-Wsign-compare]
  104 |             if ( index < value.size()-1 )
      |                  ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/json/customwriter.cpp:123:34: warning: comparison of integer expressions of different signedness: 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  123 |             if (valLine.length() > maxWidth_)
      |                 ~~~~~~~~~~~~~~~~~^~~~~~~~~~~
[ 40%] Linking CXX shared module ../../lib64/chemdoodlejsonformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.o CMakeFiles/chemdoodlejsonformat.dir/json/jsoncpp.o CMakeFiles/chemdoodlejsonformat.dir/json/customwriter.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 40%] Linking CXX shared module ../../lib64/fastaformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Built target chemdoodlejsonformat
make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/dlpolyformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/dlpolyformat.dir/depend.internal".
Scanning dependencies of target dlpolyformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/dlpolyformat.dir/dlpolyformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/dlpolyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Built target fastaformat
make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cssrformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cssrformat.dir/depend.internal".
Scanning dependencies of target cssrformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 41%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cssrformat.dir/cssrformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cssrformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fastsearchformat.cpp: In member function 'void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fastsearchformat.cpp:668:11: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  668 |     if(idx>=patternMol.NumBonds())
      |        ~~~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/exyzformat.cpp: In member function 'virtual bool OpenBabel::EXYZFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/exyzformat.cpp:118:19: warning: variable 'virtualAtoms' set but not used [-Wunused-but-set-variable]
  118 |     bool unitCell,virtualAtoms;
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/dlpolyformat.cpp: In member function 'bool OpenBabel::DlpolyInputReader::ParseUnitCell(std::istream&, OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/dlpolyformat.cpp:147:10: warning: variable 'ok' set but not used [-Wunused-but-set-variable]
  147 |     bool ok;
      |          ^~
[ 41%] Linking CXX shared module ../../lib64/cssrformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
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Scanning dependencies of target cifformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color=
[ 41%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cifformat.dir/cifformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cifformat.cpp
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemtoolformat.dir/depend.internal".
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Scanning dependencies of target chemtoolformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/chemtoolformat.dir/chemtoolformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemtoolformat.cpp
[ 41%] Linking CXX shared module ../../lib64/fastsearchformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
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Scanning dependencies of target chemdrawct
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/chemdrawct.dir/chemdrawct.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemdrawct.cpp
[ 42%] Linking CXX shared module ../../lib64/dlpolyformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Scanning dependencies of target pcmodelformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 42%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pcmodelformat.dir/pcmodelformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pcmodelformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cifformat.cpp: In member function 'void OpenBabel::CIFData::CalcMatrices()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cifformat.cpp:900:11: warning: variable 'aa' set but not used [-Wunused-but-set-variable]
  900 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cifformat.cpp:900:14: warning: variable 'bb' set but not used [-Wunused-but-set-variable]
  900 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |              ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cifformat.cpp:900:27: warning: variable 'betaa' set but not used [-Wunused-but-set-variable]
  900 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                           ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cifformat.cpp:900:33: warning: variable 'gammaa' set but not used [-Wunused-but-set-variable]
  900 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                                 ^~~~~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
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Scanning dependencies of target carformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/carformat.dir/carformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/carformat.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color=
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Scanning dependencies of target fhiaimsformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fhiaimsformat.cpp
[ 45%] Linking CXX shared module ../../lib64/cccformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
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Scanning dependencies of target pubchem
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pubchem.dir/xml/pubchem.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/pubchem.cpp
[ 45%] Linking CXX shared module ../../lib64/carformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/APIInterface.dir/APIInterface.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/APIInterface.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cifformat.so CMakeFiles/cifformat.dir/cifformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/abinitformat.dir/depend.internal".
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
[ 46%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/abinitformat.dir/abinitformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/abinitformat.cpp
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smilesformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smilesformat.dir/depend.internal".
Scanning dependencies of target smilesformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 46%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmilesformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/smilesformat.dir/smilesformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp
[ 47%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pubchem.dir/xml/xml.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/xml.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/abinitformat.cpp: In member function 'virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/abinitformat.cpp:91:12: warning: variable 'acell' set but not used [-Wunused-but-set-variable]
   91 |     double acell[3]; // scale of lattice vectors
      |            ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/tinkerformat.cpp: In member function 'virtual bool OpenBabel::TinkerFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/tinkerformat.cpp:101:9: warning: unused variable 'atomicNum' [-Wunused-variable]
  101 |     int atomicNum;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/tinkerformat.cpp: In function 'int OpenBabel::SetMM3Type(OpenBabel::OBAtom*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/tinkerformat.cpp:377:11: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  377 |           if (b->GetHyb() == 2) // S=C
      |           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/tinkerformat.cpp:378:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  378 |             countNeighborC++; break;
      |                               ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/tinkerformat.cpp:220:17: warning: unused variable 'c' [-Wunused-variable]
  220 |     OBAtom *b, *c; // neighbors
      |                 ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp: In member function 'bool OpenBabel::OBSmilesParser::ParseSmiles(OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:587:15: warning: variable 'atom' set but not used [-Wunused-but-set-variable]
  587 |       OBAtom* atom;
      |               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp: In member function 'std::vector<OpenBabel::OBBondClosureInfo> OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector<unsigned int>&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:3482:11: warning: unused variable 'bo' [-Wunused-variable]
 3482 |       int bo = (bond1->IsAromatic())? 1 : bond1->GetBO();  // CJ: why was this line added?  bo is never used?
      |           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp: In member function 'void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, bool, char*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:4066:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4066 |         for (int i=0; i<atom_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:4072:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 4072 |         for (int i=0; i<canonical_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:4175:23: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 4175 |         if (*can_iter <= mol.NumAtoms())
      |             ~~~~~~~~~~^~~~~~~~~~~~~~~~~
[ 47%] Linking CXX shared module ../../lib64/abinitformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 47%] Linking CXX shared module ../../lib64/tinkerformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xmlformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xmlformat.dir/depend.internal".
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make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
Scanning dependencies of target xmlformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color=
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemkinformat.dir/depend.internal".
Scanning dependencies of target chemkinformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/xmlformat.dir/xml/xmlformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/xmlformat.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/chemkinformat.dir/chemkinformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.o CMakeFiles/pubchem.dir/xml/xml.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/daltonformat.dir/depend.internal".
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Scanning dependencies of target daltonformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/daltonformat.dir/daltonformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/daltonformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp: In member function 'bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp:634:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  634 |       for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs
      |                   ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp: In member function 'bool OpenBabel::ChemKinFormat::WriteReactionLine(OpenBabel::OBReaction*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp:905:11: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch]
  905 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp:905:11: warning: enumeration value 'THREEBODY' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp:984:11: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch]
  984 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/chemkinformat.cpp:984:11: warning: enumeration value 'SRI' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/daltonformat.cpp: In member function 'virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/daltonformat.cpp:142:9: warning: variable 'atomcount' set but not used [-Wunused-but-set-variable]
  142 |     int atomcount = 0; // for each atom type
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/daltonformat.cpp: In member function 'virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/daltonformat.cpp:306:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  306 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/daltonformat.cpp:326:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  326 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
[ 48%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/xmlformat.dir/xml/xml.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xml/xml.cpp
[ 48%] Linking CXX shared module ../../lib64/daltonformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 48%] Built target daltonformat
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color=
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp: In member function 'bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, char*, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:2989:20: warning: '%d' directive writing between 1 and 5 bytes into a region of size 4 [-Wformat-overflow=]
 2989 |       sprintf(iso,"%d",atom->GetIsotope());
      |                    ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:2989:19: note: directive argument in the range [1, 65535]
 2989 |       sprintf(iso,"%d",atom->GetIsotope());
      |                   ^~~~
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:22:
/usr/include/bits/stdio2.h:36:34: note: '__builtin___sprintf_chk' output between 2 and 6 bytes into a destination of size 4
   36 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   37 |       __bos (__s), __fmt, __va_arg_pack ());
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:3037:29: warning: '__builtin___sprintf_chk' may write a terminating nul past the end of the destination [-Wformat-overflow=]
 3037 |           sprintf(tcount,"%d", hcount);
      |                             ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/smilesformat.cpp:22:
/usr/include/bits/stdio2.h:36:34: note: '__builtin___sprintf_chk' output between 2 and 11 bytes into a destination of size 10
   36 |   return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   37 |       __bos (__s), __fmt, __va_arg_pack ());
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/svgformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/svgformat.dir/depend.internal".
Scanning dependencies of target svgformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 48%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/svgformat.dir/svgformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/svgformat.cpp
[ 48%] Linking CXX shared module ../../lib64/xmlformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.o CMakeFiles/xmlformat.dir/xml/xml.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/svgformat.cpp: In member function 'virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/svgformat.cpp:222:42: warning: comparison of integer expressions of different signedness: 'std::vector<OpenBabel::OBBase*>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  222 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/svgformat.cpp:244:18: warning: unused variable 'n' [-Wunused-variable]
  244 |     unsigned int n=0;
      |                  ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/svgformat.cpp: In member function 'virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/svgformat.cpp:269:8: warning: unused variable 'ret' [-Wunused-variable]
  269 |   bool ret = WriteSVG(pConv,_objects);
      |        ^~~
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[ 48%] Built target xmlformat
make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gamessukformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gamessukformat.dir/depend.internal".
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[ 48%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/gamessukformat.dir/gamessukformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp
[ 49%] Linking CXX shared module ../../lib64/chemkinformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/thermoformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/thermoformat.dir/depend.internal".
Scanning dependencies of target thermoformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 49%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/thermoformat.dir/thermoformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/thermoformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp:779:10: warning: variable 'ok' set but not used [-Wunused-but-set-variable]
  779 |     bool ok=false;
      |          ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp:845:12: warning: variable 'ok' set but not used [-Wunused-but-set-variable]
  845 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp:892:12: warning: variable 'ok' set but not used [-Wunused-but-set-variable]
  892 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp: In member function 'virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessukformat.cpp:1207:12: warning: variable 'ok' set but not used [-Wunused-but-set-variable]
 1207 |       bool ok;
      |            ^~
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessformat.cpp: In member function 'virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessformat.cpp:227:9: warning: variable 'ndummyatoms' set but not used [-Wunused-but-set-variable]
  227 |     int ndummyatoms = 0;
      |         ^~~~~~~~~~~
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[ 51%] Linking CXX shared module ../../lib64/turbomoleformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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[ 51%] Linking CXX shared module ../../lib64/gamessukformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pngformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pngformat.dir/depend.internal".
Scanning dependencies of target pngformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pngformat.dir/pngformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pngformat.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:38:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h: In function 'unsigned int MDLValence(unsigned int, int, unsigned int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:51:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
   51 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:51:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
   51 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:64:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
   64 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:64:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
   64 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:77:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
   77 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:77:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
   77 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:90:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
   90 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:90:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
   90 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:103:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  103 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:103:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  103 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:116:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  116 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:116:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  116 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:119:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  119 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:119:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  119 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:121:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  121 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:121:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  121 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:134:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  134 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:134:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  134 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:137:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  137 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:137:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  137 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:139:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  139 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:139:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  139 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:152:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  152 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:152:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  152 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:155:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  155 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:155:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  155 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:157:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  157 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:157:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  157 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:170:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  170 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:170:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  170 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:173:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  173 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:173:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  173 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:175:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  175 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:175:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  175 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:188:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  188 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:188:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  188 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:191:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  191 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:191:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  191 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:193:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  193 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:193:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  193 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:206:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  206 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:206:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  206 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:209:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  209 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:209:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  209 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:211:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  211 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:211:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  211 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:223:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  223 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:223:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  223 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:226:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  226 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:226:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  226 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:228:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  228 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:228:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  228 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:240:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  240 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:240:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  240 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:243:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  243 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:243:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  243 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:245:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  245 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:245:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  245 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:257:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  257 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:257:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  257 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:260:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  260 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:260:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  260 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:262:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  262 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:262:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  262 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:274:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  274 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:274:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  274 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:277:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  277 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:277:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  277 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:279:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  279 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:279:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  279 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:291:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  291 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:291:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  291 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:294:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  294 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:294:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  294 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:296:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  296 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:296:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  296 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:298:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  298 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:298:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  298 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:310:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  310 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:310:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  310 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:313:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  313 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:313:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  313 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:315:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  315 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:315:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  315 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:317:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  317 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:317:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  317 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:329:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  329 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:329:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  329 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:332:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  332 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:332:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  332 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:334:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  334 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:334:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  334 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:336:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  336 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:336:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  336 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:348:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  348 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:348:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  348 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:351:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  351 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:351:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  351 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:353:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  353 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:353:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  353 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:355:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  355 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:355:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  355 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:367:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  367 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:367:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  367 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:370:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  370 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:370:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  370 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:372:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  372 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:372:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  372 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:374:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  374 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:374:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  374 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:385:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  385 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:385:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  385 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:388:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  388 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:388:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  388 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:390:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  390 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:390:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  390 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:392:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  392 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:392:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  392 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:394:15: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  394 |               if (val <= 3) return 3;  break;
      |               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:394:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  394 |               if (val <= 3) return 3;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h: In function 'unsigned int HYDValence(unsigned int, int, unsigned int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlvalence.h:416:11: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  416 |   if (val > impval) {
      |       ~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp: In member function 'bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:1345:10: warning: unused variable 'chiralWatch' [-Wunused-variable]
 1345 |     bool chiralWatch=false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessformat.cpp:527:47: warning: 'lowFreqModesEnd' may be used uninitialized in this function [-Wmaybe-uninitialized]
  527 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gamessformat.cpp:520:11: warning: 'lowFreqModesBegin' may be used uninitialized in this function [-Wmaybe-uninitialized]
  520 |           if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/PQSformat.cpp: In member function 'virtual bool OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/PQSformat.cpp:259:49: warning: 'pFormat' may be used uninitialized in this function [-Wmaybe-uninitialized]
  259 |                     return pFormat->ReadMolecule(&mol,&coordconv);
      |                            ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/copyformat.dir/copyformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/copyformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp: In member function 'std::string OpenBabel::MDLFormat::GetTimeDate()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:1652:27: warning: '%02d' directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1652 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:1652:22: note: directive argument in the range [-2147483648, 2147483547]
 1652 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
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                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/iomanip:40,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:27:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 11 and 56 bytes into a destination of size 11
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp: In member function 'void OpenBabel::MDLFormat::CisTransFromUpDown(OpenBabel::OBMol*, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:1971:45: warning: 'a2_stereo' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1971 |       if (a1_stereo == OBStereo::UnknownDir || a2_stereo == OBStereo::UnknownDir)
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdlformat.cpp:1971:7: warning: 'a1_stereo' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1971 |       if (a1_stereo == OBStereo::UnknownDir || a2_stereo == OBStereo::UnknownDir)
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/asciipainter.cpp: In member function 'virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const string&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  118 |     for (int i=0; i<text.size(); ++i) {
      |                   ~^~~~~~~~~~~~
[ 57%] Linking CXX shared module ../../lib64/boxformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Built target boxformat
make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/aoforceformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/aoforceformat.dir/depend.internal".
Scanning dependencies of target aoforceformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/aoforceformat.dir/aoforceformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/aoforceformat.cpp
[ 57%] Linking CXX shared module ../../lib64/asciiformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/inchiformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/inchiformat.dir/depend.internal".
Scanning dependencies of target inchiformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/inchiformat.dir/inchiformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/inchiformat.cpp
[ 57%] Linking CXX shared module ../../lib64/mdlformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Scanning dependencies of target pdbformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pdbformat.dir/pdbformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/inchiformat.cpp:28:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h: In member function 'bool OpenBabel::InChIFormat::InchiLess::operator()(const string&, const string&) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:150:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  150 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:150:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  150 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:155:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  155 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:155:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  155 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
[ 57%] Linking CXX shared module ../../lib64/MNAformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/inchiformat.cpp: In member function 'virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/inchiformat.cpp:177:52: warning: comparison of integer expressions of different signedness: 'long unsigned int' and 'AT_NUM' {aka 'short int'} [-Wsign-compare]
  177 |         if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) {
      |                                         ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/inchiformat.cpp:183:54: warning: comparison of integer expressions of different signedness: 'long unsigned int' and 'AT_NUM' {aka 'short int'} [-Wsign-compare]
  183 |         if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) {
      |                                           ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/povrayformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/povrayformat.dir/depend.internal".
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/povrayformat.dir/povrayformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/povrayformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/nwchemformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/nwchemformat.dir/depend.internal".
Scanning dependencies of target nwchemformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 58%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/nwchemformat.dir/nwchemformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/povrayformat.cpp: In member function 'void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/povrayformat.cpp:168:12: warning: variable 'time_res' set but not used [-Wunused-but-set-variable]
  168 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/povrayformat.cpp: In member function 'virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/povrayformat.cpp:802:17: warning: unused variable 'title' [-Wunused-variable]
  802 |     const char* title = pmol->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp: In member function 'virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:623:58: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  623 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:17:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:641:70: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  641 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:17:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:678:35: warning: '%+d' directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  678 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:678:34: note: directive argument in the range [-32768, 32767]
  678 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pdbformat.cpp:17:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 3 and 7 bytes into a destination of size 3
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:221:72: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  221 |             if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str())))
      |                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:296:17: warning: suggest explicit braces to avoid ambiguous 'else' [-Wdangling-else]
  296 |         else if (vs[0][0] == '1')
      |                 ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:413:56: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  413 |             if (molecule->GetAtom(i++)->GetAtomicNum() != charge)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:561:25: warning: comparison of integer expressions of different signedness: 'std::vector<double>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  561 |     if (energies.size() != molecule->NumConformers())
      |         ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadNEBCalculation(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:826:79: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  826 |                 if (etab.GetAtomicNum(vs[1].substr(0, end_of_symbol).c_str()) != molecule->GetAtom(i+1)->GetAtomicNum())
      |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:914:34: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  914 |                 if (atoi(buffer) != natoms)
      |                     ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:924:84: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  924 |                     if ((vs.size() < 4) || (molecule->GetAtom(i+1)->GetAtomicNum() != etab.GetAtomicNum(vs[0].c_str())))
      |                                             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 59%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/inchiformat.dir/getinchi.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/getinchi.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:104:20: warning: 'OpenBabel::BETA_ORBITAL_PATTERN' defined but not used [-Wunused-variable]
  104 | static const char* BETA_ORBITAL_PATTERN = "Beta";
      |                    ^~~~~~~~~~~~~~~~~~~~
[ 60%] Linking CXX shared module ../../lib64/pdbformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 60%] Linking CXX shared module ../../lib64/povrayformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 60%] Built target pdbformat
make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molreport.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molreport.dir/depend.internal".
Scanning dependencies of target molreport
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/molreport.dir/molreport.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/molreport.cpp
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[ 60%] Built target povrayformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/stlformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/stlformat.dir/depend.internal".
Scanning dependencies of target stlformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 60%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/stlformat.dir/stlformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/stlformat.cpp
[ 60%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/inchiformat.dir/__/ops/unique.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/unique.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:939:21: warning: 'nbeads' may be used uninitialized in this function [-Wmaybe-uninitialized]
  939 |                     if (bead_number != nbeads)
      |                     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/stlformat.cpp: In function 'void OpenBabel::map_sphere(std::vector<OpenBabel::Triangle>&, OpenBabel::vector3, double, uint16_t)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/stlformat.cpp:149:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::vector3>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  149 |     for( int i=0 ; i < points.size()-2; i++ ) {
      |                    ~~^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/ops/unique.cpp:23:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h: In member function 'bool OpenBabel::InChIFormat::InchiLess::operator()(const string&, const string&) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:150:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  150 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:150:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  150 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:155:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  155 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/inchiformat.h:155:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  155 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:17:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h: In member function 'void OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::istream*, OpenBabel::OBMol*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:362:47: warning: 'energy' may be used uninitialized in this function [-Wmaybe-uninitialized]
  362 |     void   SetEnergy(double energy) { _energy = energy; }
      |                                       ~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/nwchemformat.cpp:736:12: note: 'energy' was declared here
  736 |     double energy;
      |            ^~~~~~
[ 60%] Linking CXX shared module ../../lib64/nwchemformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 61%] Linking CXX shared module ../../lib64/molreport.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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[ 61%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pqrformat.dir/pqrformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp
Scanning dependencies of target textformat
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/stlformat.so CMakeFiles/stlformat.dir/stlformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.o CMakeFiles/inchiformat.dir/getinchi.o CMakeFiles/inchiformat.dir/__/ops/unique.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp: In function 'double OpenBabel::parseAtomCharge(char*, OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp:196:13: warning: unused variable 'atom' [-Wunused-variable]
  196 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp: In function 'double OpenBabel::parseAtomRadius(char*, OpenBabel::OBMol&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp:211:13: warning: unused variable 'atom' [-Wunused-variable]
  211 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/crystal09format.dir/crystal09format.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crystal09format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target nulformat
make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/adfformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/adfformat.dir/depend.internal".
Scanning dependencies of target adfformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/adfformat.dir/adfformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp: In member function 'virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp:501:58: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  501 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp:16:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp:518:66: warning: '%-3s' directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  518 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pqrformat.cpp:16:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 17 bytes into a destination of size 10
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp: In member function 'bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:590:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  590 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:590:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  590 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:603:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  603 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:603:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  603 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:625:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  625 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:625:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  625 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:640:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  640 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:640:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  640 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:655:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation]
  655 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/adfformat.cpp:655:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while'
  655 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
[ 61%] Linking CXX shared module ../../lib64/outformat.so
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/outformat.so CMakeFiles/outformat.dir/outformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/painterformat.cpp: In member function 'virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/painterformat.cpp:113:12: warning: unused variable 'ofs' [-Wunused-variable]
  113 |   ostream& ofs = *pConv->GetOutStream();
      |            ^~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake --color=
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Scanning dependencies of target reportformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dreportformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/reportformat.dir/reportformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/reportformat.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/painterformat.dir/__/depict/commandpainter.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/depict/commandpainter.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dposformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/posformat.dir/posformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/posformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.o CMakeFiles/painterformat.dir/__/depict/commandpainter.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gulpformat.dir/depend.internal".
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[ 64%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgulpformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/gulpformat.dir/gulpformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gulpformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/confabreport.cpp: In member function 'void OpenBabel::ConfabReport::WriteOutput(std::ostream&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/confabreport.cpp:128:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  128 |     for (int i=1; i < binvals.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/confabreport.cpp:133:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  133 |     for (int i=1; i < cumbins.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gaussformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gaussformat.dir/depend.internal".
Scanning dependencies of target gaussformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/gaussformat.dir/gaussformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp
[ 65%] Built target confabreport
make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pwscfformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pwscfformat.dir/depend.internal".
Scanning dependencies of target pwscfformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/pwscfformat.dir/pwscfformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/pwscfformat.cpp
[ 65%] Linking CXX shared module ../../lib64/posformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/posformat.so CMakeFiles/posformat.dir/posformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rxnformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rxnformat.dir/depend.internal".
Scanning dependencies of target rxnformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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[ 65%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/rxnformat.dir/rxnformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/rxnformat.cpp
[ 65%] Linking CXX shared module ../../lib64/gulpformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp: In function 'void OpenBabel::add_unique_pairdata_to_mol(OpenBabel::OBMol*, std::string, std::string, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:275:19: warning: comparison of integer expressions of different signedness: 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  275 |     if (vs.size() >= start)
      |         ~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:278:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  278 |         for(i=start+1; (i<vs.size()); i++)
      |                         ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp: In function 'int OpenBabel::extract_thermo(OpenBabel::OBMol*, std::string, double, double, double, double, double, double, int, std::vector<double>)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:332:17: warning: unused variable 'pg' [-Wunused-variable]
  332 |     const char *pg = obPG.IdentifyPointGroup();
      |                 ^~
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/alchemyformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/alchemyformat.dir/depend.internal".
Scanning dependencies of target alchemyformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 65%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/alchemyformat.dir/alchemyformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/alchemyformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/rxnformat.cpp: In member function 'virtual bool OpenBabel::RXNFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/rxnformat.cpp:228:14: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  228 |     for(i=0;i<pReact->NumReactants();i++)
      |             ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/rxnformat.cpp:235:14: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  235 |     for(i=0;i<pReact->NumProducts();i++)
      |             ~^~~~~~~~~~~~~~~~~~~~~~
[ 65%] Linking CXX shared module ../../lib64/pwscfformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/castepformat.dir/depend.internal".
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Scanning dependencies of target castepformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/castepformat.dir/castepformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/castepformat.cpp
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausszmatformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausszmatformat.dir/depend.internal".
Scanning dependencies of target gausszmatformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/gausszmatformat.dir/gausszmatformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gausszmatformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpdformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpdformat.dir/depend.internal".
Scanning dependencies of target mpdformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/mpdformat.dir/mpdformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mpdformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp: In member function 'virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:1164:25: warning: 'CV' may be used uninitialized in this function [-Wmaybe-uninitialized]
 1164 |           extract_thermo(&mol,thermo_method,temperature,ezpe,
      |           ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1165 |                          Hcorr,Gcorr,E0,CV,RotSymNum,Scomponents);
      |                          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:1164:25: warning: 'E0' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:1164:25: warning: 'Gcorr' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:1164:25: warning: 'Hcorr' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gaussformat.cpp:1164:25: warning: 'ezpe' may be used uninitialized in this function [-Wmaybe-uninitialized]
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/castepformat.cpp:16:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h: In member function 'virtual bool OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:362:47: warning: 'enthalpy' may be used uninitialized in this function [-Wmaybe-uninitialized]
  362 |     void   SetEnergy(double energy) { _energy = energy; }
      |                                       ~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/castepformat.cpp:86:30: note: 'enthalpy' was declared here
   86 |     double pressure, volume, enthalpy;
      |                              ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/castepformat.cpp:187:21: warning: 'volume' may be used uninitialized in this function [-Wmaybe-uninitialized]
  187 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/castepformat.cpp:187:21: warning: 'pressure' may be used uninitialized in this function [-Wmaybe-uninitialized]
[ 66%] Linking CXX shared module ../../lib64/castepformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mpdformat.cpp: In member function 'virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mpdformat.cpp:204:42: warning: variable 'idx_true' set but not used [-Wunused-but-set-variable]
  204 |     bool xml_true=false, pre_true=false, idx_true=false;
      |                                          ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target castepformat
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/hinformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/hinformat.dir/depend.internal".
[ 66%] Linking CXX shared module ../../lib64/gaussformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
Scanning dependencies of target hinformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 66%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/hinformat.dir/hinformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/hinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target gaussformat
make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mol2format.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mol2format.dir/depend.internal".
Scanning dependencies of target mol2format
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/mol2format.dir/mol2format.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp
[ 66%] Linking CXX shared module ../../lib64/gausszmatformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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[ 66%] Built target gausszmatformat
make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/jaguarformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/jaguarformat.dir/depend.internal".
Scanning dependencies of target jaguarformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/jaguarformat.dir/jaguarformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/jaguarformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target mpdformat
make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xyzformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xyzformat.dir/depend.internal".
Scanning dependencies of target xyzformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/xyzformat.dir/xyzformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xyzformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp: In member function 'virtual const char* OpenBabel::MOL2Format::Description()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:49:9: warning: statement has no effect [-Wunused-value]
   49 |         "  c               Write UCSF Dock scores saved in comments preceeding molecules\n\n";
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp: In member function 'virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:391:46: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  391 |         if ((bond2->GetBeginAtom()->GetIdx() == idx1 || bond2->GetEndAtom()->GetIdx() == idx1)
      |              ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:391:87: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  391 |         if ((bond2->GetBeginAtom()->GetIdx() == idx1 || bond2->GetEndAtom()->GetIdx() == idx1)
      |                                                         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:394:51: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  394 |         else if ((bond2->GetBeginAtom()->GetIdx() == idx2 || bond2->GetEndAtom()->GetIdx() == idx2)
      |                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:394:92: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  394 |         else if ((bond2->GetBeginAtom()->GetIdx() == idx2 || bond2->GetEndAtom()->GetIdx() == idx2)
      |                                                              ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:476:99: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  476 |             if (n_h_bonded < min_n_h_bonded || (n_h_bonded == min_n_h_bonded && partner->GetIdx() < min_idx)) {
      |                                                                                 ~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:499:35: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  499 |             if (partner->GetIdx() == min_idx) {
      |                 ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp: In member function 'virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:727:10: warning: unused variable 'ch' [-Wunused-variable]
  727 |     char ch = ifs.peek();
      |          ^~
[ 66%] Linking CXX shared module ../../lib64/hinformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mopacformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mopacformat.dir/depend.internal".
Scanning dependencies of target mopacformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/mopacformat.dir/mopacformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp: In member function 'virtual bool OpenBabel::MOL2Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:677:40: warning: '%-6s' directive output may be truncated writing between 6 and 32767 bytes into a region of size between 32756 and 32760 [-Wformat-truncation=]
  677 |         snprintf(buffer,BUFF_SIZE,"%7d %-6s   %9.4f %9.4f %9.4f %-5s %3s  %-8s %9.4f",
      |                                        ^~~~
  678 |                  atom->GetIdx(),label,
      |                                 ~~~~~   
In file included from /usr/include/stdio.h:871,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6505,
                 from /usr/include/c++/10/string:55,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mol2format.cpp:17:
/usr/include/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output 77 or more bytes (assuming 32838) into a destination of size 32768
   67 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   68 |        __bos (__s), __fmt, __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 66%] Linking CXX shared module ../../lib64/mol2format.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 66%] Linking CXX shared module ../../lib64/jaguarformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 66%] Built target mol2format
make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/moldenformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/moldenformat.dir/depend.internal".
Scanning dependencies of target moldenformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 67%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/moldenformat.dir/moldenformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/moldenformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 67%] Built target jaguarformat
make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CSRformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CSRformat.dir/depend.internal".
Scanning dependencies of target CSRformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 67%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/CSRformat.dir/CSRformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CSRformat.cpp
[ 68%] Linking CXX shared module ../../lib64/xyzformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target xyzformat
make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acesformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acesformat.dir/depend.internal".
Scanning dependencies of target acesformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/acesformat.dir/acesformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/acesformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp: In member function 'virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp:642:19: warning: variable 'isotopeMass' set but not used [-Wunused-but-set-variable]
  642 |     double x,y,z, isotopeMass;
      |                   ^~~~~~~~~~~
In file included from /usr/include/string.h:495,
                 from /usr/include/c++/10/cstring:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/data.h:26,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:45,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CSRformat.cpp:17:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'char* OpenBabel::CSRFormat::PadString(char*, int)' at /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CSRformat.cpp:188:12:
/usr/include/bits/string_fortified.h:106:34: warning: 'char* __builtin_strncpy(char*, const char*, long unsigned int)' output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation]
  106 |   return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest));
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CSRformat.cpp: In member function 'char* OpenBabel::CSRFormat::PadString(char*, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CSRformat.cpp:188:12: note: length computed here
  188 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 68%] Linking CXX shared module ../../lib64/CSRformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target CSRformat
make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/titleformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/titleformat.dir/depend.internal".
Scanning dependencies of target titleformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/atom.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/math/vector3.h: In member function 'virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/math/vector3.h:91:11: warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized]
   91 |       _vy = inY;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp:73:14: note: 'y' was declared here
   73 |     double x,y,z;
      |              ^
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/atom.h:35,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/math/vector3.h:90:11: warning: 'x' may be used uninitialized in this function [-Wmaybe-uninitialized]
   90 |       _vx = inX;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mopacformat.cpp:73:12: note: 'x' was declared here
   73 |     double x,y,z;
      |            ^
[ 68%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.o
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/qchemformat.dir/qchemformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/qchemformat.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp: In static member function 'static bool OpenBabel::CRK2DFormat::ReadCRK(std::istream&, OpenBabel::OBMol&, const char*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:304:38: warning: 'bondStyle' may be used uninitialized in this function [-Wmaybe-uninitialized]
  304 |                 stbondStyle[numBonds]=bondStyle;
      |                 ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:302:35: warning: 'bondTo' may be used uninitialized in this function [-Wmaybe-uninitialized]
  302 |                 stbondTo[numBonds]=bondTo;
      |                 ~~~~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:301:37: warning: 'bondFrom' may be used uninitialized in this function [-Wmaybe-uninitialized]
  301 |                 stbondFrom[numBonds]=bondFrom;
      |                 ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:287:36: warning: 'atomCharge' may be used uninitialized in this function [-Wmaybe-uninitialized]
  287 |                 atm.SetFormalCharge((int)atomCharge);
      |                 ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:286:30: warning: 'atomZ' may be used uninitialized in this function [-Wmaybe-uninitialized]
  286 |                 atm.SetVector(atomX,atomY,atomZ);
      |                 ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:286:30: warning: 'atomY' may be used uninitialized in this function [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:286:30: warning: 'atomX' may be used uninitialized in this function [-Wmaybe-uninitialized]
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:42,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obmolecformat.h:37,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:16:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/atom.h:144:52: warning: 'atomNumber' may be used uninitialized in this function [-Wmaybe-uninitialized]
  144 |       void SetAtomicNum(int atomicnum)    { _ele = (char)atomicnum; }
      |                                                    ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:241:16: note: 'atomNumber' was declared here
  241 |     int atomID,atomNumber;
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/crkformat.cpp:283:37: warning: 'atomID' may be used uninitialized in this function [-Wmaybe-uninitialized]
  283 |                 statomID[numAtoms++]=atomID;
      |                 ~~~~~~~~~~~~~~~~~~~~^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target mmodformat
make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausscubeformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausscubeformat.dir/depend.internal".
Scanning dependencies of target gausscubeformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/gausscubeformat.dir/gausscubeformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gausscubeformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fchkformat.cpp: In member function 'virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fchkformat.cpp:587:40: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  587 |         if (alphaorb_found && (numAOrb > alphaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fchkformat.cpp:600:40: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  600 |         if (betaorb_found &&  (numBOrb > betaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fchkformat.cpp:691:40: warning: comparison of integer expressions of different signedness: 'std::vector<double>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  691 |     if (numAOrb > 0 && alphaorb.size() == numAOrb) {
      |                        ~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/fchkformat.cpp:695:41: warning: comparison of integer expressions of different signedness: 'std::vector<double>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  695 |       if (numBOrb > 0 && betaorb.size() == numBOrb) {  // open shell calculation
      |                          ~~~~~~~~~~~~~~~^~~~~~~~~~
[ 68%] Linking CXX shared module ../../lib64/crkformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/crkformat.so CMakeFiles/crkformat.dir/crkformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/siestaformat.dir/depend.internal".
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Scanning dependencies of target siestaformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsiestaformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/siestaformat.dir/siestaformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/siestaformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gausscubeformat.cpp: In member function 'virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gausscubeformat.cpp:425:25: warning: comparison of integer expressions of different signedness: 'std::vector<OpenBabel::OBGridData*>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  425 |       while (vgd.size() < nCubes)
      |              ~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gausscubeformat.cpp:472:26: warning: comparison of integer expressions of different signedness: 'std::vector<double>::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  472 |     while (values.size() < n*nCubes)
      |            ~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/gausscubeformat.cpp:107:17: warning: unused variable 'title' [-Wunused-variable]
  107 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/siestaformat.cpp: In member function 'virtual bool OpenBabel::SIESTAFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/siestaformat.cpp:82:10: warning: variable 'coordsAreAngstrom' set but not used [-Wunused-but-set-variable]
   82 |     bool coordsAreAngstrom = false;
      |          ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/siestaformat.cpp:88:12: warning: variable 'size' set but not used [-Wunused-but-set-variable]
   88 |     size_t size;
      |            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/siestaformat.cpp:92:30: warning: unused variable 'numSpecies' [-Wunused-variable]
   92 |     int atomicNum, numAtoms, numSpecies;
      |                              ^~~~~~~~~~
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target siestaformat
make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xsfformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xsfformat.dir/depend.internal".
Scanning dependencies of target xsfformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/xsfformat.dir/xsfformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/xsfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target gausscubeformat
make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/zindoformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/zindoformat.dir/depend.internal".
Scanning dependencies of target zindoformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dzindoformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/zindoformat.dir/zindoformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/zindoformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp: In member function 'virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp:438:17: warning: unused variable 'freqnum' [-Wunused-variable]
  438 |             int freqnum = atoi(vs[0].c_str());
      |                 ^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp: In member function 'virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp:657:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBAtom*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  657 |     for(int i = 0; i < atoms_sorted.size(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp:668:9: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  668 |         if(atomicNums.size() > 0);
      |         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp:669:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  669 |           atomicNums.rbegin()->second++;
      |           ^~~~~~~~~~
[ 70%] Linking CXX shared module ../../lib64/cacheformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target cacheformat
make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/opendxformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/opendxformat.dir/depend.internal".
Scanning dependencies of target opendxformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/opendxformat.dir/opendxformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/opendxformat.cpp
[ 71%] Linking CXX shared module ../../lib64/zindoformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp: In member function 'virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp:397:21: warning: 'fermi' may be used uninitialized in this function [-Wmaybe-uninitialized]
  397 |         dos->SetData(fermi, energies, densities, integration);
      |         ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
[ 71%] Built target zindoformat
make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/orcaformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/orcaformat.dir/depend.internal".
Scanning dependencies of target orcaformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 72%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/orcaformat.dir/orcaformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 72%] Built target xsfformat
make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molproformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molproformat.dir/depend.internal".
Scanning dependencies of target molproformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 72%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/molproformat.dir/molproformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/molproformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp: In member function 'virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/vaspformat.cpp:752:26: warning: 'atom' may be used uninitialized in this function [-Wmaybe-uninitialized]
  752 |         if (atom->HasData("move")) {
      |             ~~~~~~~~~~~~~^~~~~~~~
[ 72%] Linking CXX shared module ../../lib64/vaspformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp: In member function 'virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:338:33: warning: comparison of integer expressions of different signedness: 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  338 |                 while(vs.size() == nColumn+1) {
      |                       ~~~~~~~~~~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:353:48: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  353 |                     for (unsigned int i = 0; i < nColumn; i++) {
      |                                              ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:365:44: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  365 |                 for (unsigned int i = 0; i < nColumn; i++) {
      |                                          ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:121:12: warning: unused variable 'energy' [-Wunused-variable]
  121 |     double energy=0;
      |            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:128:9: warning: variable 'nModeAll' set but not used [-Wunused-but-set-variable]
  128 |     int nModeAll = 0;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp: In member function 'virtual bool OpenBabel::OrcaInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:646:10: warning: unused variable 'buffer' [-Wunused-variable]
  646 |     char buffer[BUFF_SIZE];
      |          ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 72%] Built target vaspformat
make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/MCDLformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/MCDLformat.dir/depend.internal".
Scanning dependencies of target MCDLformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 73%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/MCDLformat.dir/MCDLformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp
[ 73%] Linking CXX shared module ../../lib64/opendxformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/balstformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/balstformat.dir/depend.internal".
Scanning dependencies of target balstformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 74%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/balstformat.dir/balstformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/balstformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp: In member function 'void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:278:9: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
  278 |         if (jflag)
      |         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:282:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
  282 |             nt = 1;
      |             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp: In member function 'std::string OpenBabel::MCDLFormat::getMCDL(OpenBabel::OBMol*, bool)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:529:10: warning: variable 'test' set but not used [-Wunused-but-set-variable]
  529 |     bool test;//, testParity;
      |          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp: In member function 'void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:1266:15: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
 1266 |     if (nPrev == acount) {
      |         ~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp: In member function 'int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:1384:16: warning: comparison of integer expressions of different signedness: 'int' and 'const size_type' {aka 'const long unsigned int'} [-Wsign-compare]
 1384 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string<char>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1385 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp: In member function 'int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:1398:11: warning: comparison of integer expressions of different signedness: 'int' and 'const size_type' {aka 'const long unsigned int'} [-Wsign-compare]
 1398 |     if (n == string::npos)
      |         ~~^~~~~~~~~~~~~~~
[ 74%] Linking CXX shared module ../../lib64/molproformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acrformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acrformat.dir/depend.internal".
Scanning dependencies of target acrformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 75%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/acrformat.dir/acrformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/acrformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp: In member function 'virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:210:36: warning: 'atom' may be used uninitialized in this function [-Wmaybe-uninitialized]
  210 |                     atom->SetVector(x,y,z); //set atom coordinates
      |                     ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/orcaformat.cpp:207:37: warning: 'confCoords' may be used uninitialized in this function [-Wmaybe-uninitialized]
  207 |                     confCoords[i*3+2] = z;
      |                                     ^
[ 75%] Linking CXX shared module ../../lib64/orcaformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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Scanning dependencies of target dmolformat
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/mdffformat.dir/mdffformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 75%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/dmolformat.dir/dmolformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/dmolformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp: In member function 'void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:395:22: warning: 'dupfrag' may be used uninitialized in this function [-Wmaybe-uninitialized]
  395 |                 else if (ix[i] == dupfrag && j != dupnum)
      |                      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:394:35: warning: 'jump' may be used uninitialized in this function [-Wmaybe-uninitialized]
  394 |                     ix[i] = mx[i] + jump + 1;
      |                             ~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/MCDLformat.cpp:385:24: warning: 'numdups' may be used uninitialized in this function [-Wmaybe-uninitialized]
  385 |             for (j=0; j<numdups; j++)
      |                       ~^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/acrformat.cpp: In member function 'virtual bool OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/acrformat.cpp:137:40: warning: 'scale' may be used uninitialized in this function [-Wmaybe-uninitialized]
  137 |         X = atof((char*)vs[6].c_str())/scale;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/acrformat.cpp:159:5: warning: 'bonds' may be used uninitialized in this function [-Wmaybe-uninitialized]
  159 |     if ( pmol->NumBonds() != bonds ) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/acrformat.cpp:163:12: warning: 'atoms' may be used uninitialized in this function [-Wmaybe-uninitialized]
  163 |     } else if ( pmol->NumAtoms() != atoms ) {
      |            ^~
[ 75%] Linking CXX shared module ../../lib64/acrformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 75%] Built target acrformat
make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/bgfformat.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/bgfformat.dir/depend.internal".
Scanning dependencies of target bgfformat
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make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp: In member function 'virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:241:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::atm_t_prop>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  241 |             for(int i = 0; i < atom_t_prop.size(); i++)
      |                            ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:262:33: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  262 |       for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++)
      |                               ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp: In member function 'bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:321:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  321 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp: In member function 'virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:380:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  380 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
[ 75%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/bgfformat.dir/bgfformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/bgfformat.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:435:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  435 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:442:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  442 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/mdffformat.cpp:492:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
  492 |       for(int j = 0; j < atypes_def.size(); j++)
      |                      ~~^~~~~~~~~~~~~~~~~~~
[ 75%] Linking CXX shared module ../../lib64/dmolformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 75%] Linking CXX shared module ../../lib64/MCDLformat.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cacaoformat.dir/depend.internal".
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Scanning dependencies of target cacaoformat
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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[ 75%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats && /usr/bin/c++  -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/cacaoformat.dir/cacaoformat.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/cacaoformat.cpp
[ 75%] Built target MCDLformat
make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/obgrep.dir/obgrep.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/obgrep.cpp
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/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/obthermo.cpp: In function 'int main(int, char**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/obthermo.cpp:158:18: warning: unused variable 'Rgas' [-Wunused-variable]
  158 |           double Rgas  = 1.9872041; // cal/mol K
      |                  ^~~~
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   42 |   bool   bKJ   = false;
      |          ^~~
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   64 |   bool inGzip = false;
      |        ^~~~~~
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/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obdistgen.dir/obdistgen.o  -o ../bin/obdistgen  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
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/builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/obrotate.cpp: In function 'int main(int, char**)':
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  154 |       mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |       ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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  149 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
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  154 |       mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |       ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/CMakeFiles/obgui.dir/depend.internal".
Scanning dependencies of target obgui
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 83%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/obgui.dir/OBGUI.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp
[ 83%] Linking CXX executable ../bin/obprop
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obprop.dir/obprop.o  -o ../bin/obprop  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 83%] Built target obprop
make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/roundtrip.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/roundtrip.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/roundtrip.dir/depend.internal".
Scanning dependencies of target roundtrip
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 83%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/roundtrip.dir/roundtrip.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/roundtrip.cpp
[ 84%] Linking CXX executable ../bin/obconformer
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obconformer.dir/obconformer.o  -o ../bin/obconformer  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 84%] Built target obconformer
make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_inchiwrite.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_inchiwrite.dir/depend.internal".
Scanning dependencies of target test_inchiwrite
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 84%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_inchiwrite.dir/inchiwrite.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/inchiwrite.cpp
[ 84%] Linking CXX executable ../bin/obsym
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obsym.dir/obsym.o  -o ../bin/obsym  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 84%] Built target obsym
make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_runner.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_runner.dir/depend.internal".
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Scanning dependencies of target test_runner
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[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/test_runner.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/test_runner.cpp
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/aligntest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/aligntest.cpp
[ 85%] Linking CXX executable ../bin/roundtrip
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/roundtrip.dir/roundtrip.o  -o ../bin/roundtrip  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 85%] Built target roundtrip
make -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 85%] Generating ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -o /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/openbabel-ruby.i
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:26:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./selformats.h: In member function 'bool ActiveFormats::Add(wxString&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./selformats.h:82:52: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
   82 |   return (ActiveFormatsString.find(format+_T(';')) != -1);
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'virtual bool OBGUIApp::OnInit()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:129:21: warning: unused variable 'splash' [-Wunused-variable]
  129 |     wxSplashScreen* splash = new wxSplashScreen(bitmap,
      |                     ^~~~~~
[ 85%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/getinchi.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'void OBGUIFrame::DisplayInputFiles(wxArrayString)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
  766 |   for(i=0;i<filepatharray.GetCount();++i)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obconversion.h:369: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'bool OBGUIFrame::SetChoice(wxChoice*, const wxString&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:890:22: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare]
  890 |   for(int iSel=0;iSel<pChoice->GetCount();iSel++)
      |                  ~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  934 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  936 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  943 |     if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path;
      |            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
  946 |     if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path;
      |                                              ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'void OBGUIFrame::GetAvailableFormats()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: 'int' and 'const size_t' {aka 'const long unsigned int'} [-Wsign-compare]
 1000 |       if(pos!=wxString::npos)
      |          ~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:1005:11: warning: variable 'n' set but not used [-Wunused-but-set-variable]
 1005 |       int n;
      |           ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'void OBGUIFrame::MakePluginsMenu()':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1101 |   for(int itop=0; itop < topvec.size(); ++itop)
      |                   ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1109 |     for(int isub=0; isub < subvec.size(); ++isub)
      |                     ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp: In member function 'void CFilenames::OnKeyPress(wxKeyEvent&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
 1187 |       if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND)
      |                                                  ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 1203 |         for(i=0;i<filelist.size();++i)
      |                 ~^~~~~~~~~~~~~~~~
[ 85%] Linking CXX executable ../bin/test_inchiwrite
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/test_inchiwrite.dir/inchiwrite.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o  -o ../bin/test_inchiwrite  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 85%] Built target test_inchiwrite
make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 85%] Generating perl/openbabel-perl.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -o /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/openbabel-perl.i
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obconversion.h:369: Warning 325: Nested struct not currently supported (StreamState ignored)
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/automorphismtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/automorphismtest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/automorphismtest.cpp: In function 'bool doAutomorphismTest(OpenBabel::OBMol&, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: 'std::vector<std::vector<std::pair<unsigned int, unsigned int> > >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare]
   15 |   return (G.size() == numAutomorphisms);
      |           ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
[ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/obgui.dir/stdwx.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/stdwx.cpp
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/buildertest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/buildertest.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && sed -e 's/rb_define_module("Openbabel")/rb_define_module("OpenBabel")/' -e's/void Init_OpenBabel/void Init_openbabel/' </builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.txt >/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.txt
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_ruby.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_ruby.dir/depend.internal".
Scanning dependencies of target bindings_ruby
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake --color=
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_perl.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_perl.dir/depend.internal".
[ 85%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/python3.8 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp
Scanning dependencies of target bindings_perl
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 86%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_perl_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/python3.8 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/buildertest.cpp:15:21: warning: 'failed' defined but not used [-Wunused-variable]
   15 | static unsigned int failed = 0;
      |                     ^~~~~~
In file included from /usr/include/ruby/ruby.h:29,
                 from /usr/include/ruby.h:33,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:880:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/residue.h:392:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  392 |   EXTERN char Residue[MAXRES][4];
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/residue.h:393:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  393 |   EXTERN char ElemDesc[MAXELEM][4];
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/residue.h:394:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  394 |   EXTERN unsigned int ResNo;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/residue.h:395:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  395 |   EXTERN unsigned int ElemNo;
      |   ^~~~~~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/stdwx.cpp:1:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./babel.xpm:2:20: warning: 'sample_xpm' defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/canonconsistenttest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/canonconsistenttest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:748:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  748 |   EXTERN  OBElementTable   etab;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:751:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  751 |   EXTERN  OBTypeTable      ttab;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:753:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  753 |   EXTERN  OBIsotopeTable   isotab;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:755:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  755 |   EXTERN  OBAromaticTyper  aromtyper;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:758:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  758 |   EXTERN  OBAtomTyper      atomtyper;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:760:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  760 |   EXTERN  OBChainsParser   chainsparser;
      |   ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/mol.h:764:3: note: '#pragma message: EXTERN is deprecated, use RUBY_EXTERN instead'
  764 |   EXTERN  OBResidueData    resdat;
      |   ^~~~~~
[ 86%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/obgui.dir/optswx.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/optswx.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_int_Sg__slice(std::vector<int>*, std::vector<int>::difference_type, std::vector<int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4420:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4420 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_int_Sg__delete_at(std::vector<int>*, std::vector<int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4466:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4466 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_int_Sg__at(const std::vector<int>*, std::vector<int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4476:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4476 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_int_Sg____getitem____SWIG_0(const std::vector<int>*, std::vector<int>::difference_type, std::vector<int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4498:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4498 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_int_Sg____getitem____SWIG_1(const std::vector<int>*, std::vector<int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4507:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4507 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_unsigned_SS_int_Sg__slice(std::vector<unsigned int>*, std::vector<unsigned int>::difference_type, std::vector<unsigned int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4782:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4782 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_unsigned_SS_int_Sg__delete_at(std::vector<unsigned int>*, std::vector<unsigned int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4828:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4828 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_unsigned_SS_int_Sg__at(const std::vector<unsigned int>*, std::vector<unsigned int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4838:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4838 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_unsigned_SS_int_Sg____getitem____SWIG_0(const std::vector<unsigned int>*, std::vector<unsigned int>::difference_type, std::vector<unsigned int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4860:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4860 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_unsigned_SS_int_Sg____getitem____SWIG_1(const std::vector<unsigned int>*, std::vector<unsigned int>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4869:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 4869 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_vector_Sl_int_Sg__Sg__slice(std::vector<std::vector<int> >*, std::vector<std::vector<int> >::difference_type, std::vector<std::vector<int> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5094:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5094 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_vector_Sl_int_Sg__Sg__delete_at(std::vector<std::vector<int> >*, std::vector<std::vector<int> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5140:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5140 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_vector_Sl_int_Sg__Sg__at(const std::vector<std::vector<int> >*, std::vector<std::vector<int> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5150:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5150 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_vector_Sl_int_Sg__Sg____getitem____SWIG_0(const std::vector<std::vector<int> >*, std::vector<std::vector<int> >::difference_type, std::vector<std::vector<int> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5172:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5172 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_vector_Sl_int_Sg__Sg____getitem____SWIG_1(const std::vector<std::vector<int> >*, std::vector<std::vector<int> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5181:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5181 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_double_Sg__slice(std::vector<double>*, std::vector<double>::difference_type, std::vector<double>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5420:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5420 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_double_Sg__delete_at(std::vector<double>*, std::vector<double>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5466:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5466 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_double_Sg__at(const std::vector<double>*, std::vector<double>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5476:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5476 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_double_Sg____getitem____SWIG_0(const std::vector<double>*, std::vector<double>::difference_type, std::vector<double>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5498:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5498 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_double_Sg____getitem____SWIG_1(const std::vector<double>*, std::vector<double>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5507:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5507 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_string_Sg__slice(std::vector<std::__cxx11::basic_string<char> >*, std::vector<std::__cxx11::basic_string<char> >::difference_type, std::vector<std::__cxx11::basic_string<char> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5872:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5872 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_string_Sg__delete_at(std::vector<std::__cxx11::basic_string<char> >*, std::vector<std::__cxx11::basic_string<char> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5918:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5918 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_string_Sg__at(const std::vector<std::__cxx11::basic_string<char> >*, std::vector<std::__cxx11::basic_string<char> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5928:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5928 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_string_Sg____getitem____SWIG_0(const std::vector<std::__cxx11::basic_string<char> >*, std::vector<std::__cxx11::basic_string<char> >::difference_type, std::vector<std::__cxx11::basic_string<char> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5950:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5950 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_std_string_Sg____getitem____SWIG_1(const std::vector<std::__cxx11::basic_string<char> >*, std::vector<std::__cxx11::basic_string<char> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5959:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 5959 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_vector3_Sg__slice(std::vector<OpenBabel::vector3>*, std::vector<OpenBabel::vector3>::difference_type, std::vector<OpenBabel::vector3>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6192:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6192 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_vector3_Sg__delete_at(std::vector<OpenBabel::vector3>*, std::vector<OpenBabel::vector3>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6238:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6238 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_vector3_Sg__at(const std::vector<OpenBabel::vector3>*, std::vector<OpenBabel::vector3>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6248:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6248 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_vector3_Sg____getitem____SWIG_0(const std::vector<OpenBabel::vector3>*, std::vector<OpenBabel::vector3>::difference_type, std::vector<OpenBabel::vector3>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6270:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6270 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_vector3_Sg____getitem____SWIG_1(const std::vector<OpenBabel::vector3>*, std::vector<OpenBabel::vector3>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6279:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6279 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBMol_Sg__slice(std::vector<OpenBabel::OBMol>*, std::vector<OpenBabel::OBMol>::difference_type, std::vector<OpenBabel::OBMol>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6474:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6474 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBMol_Sg__delete_at(std::vector<OpenBabel::OBMol>*, std::vector<OpenBabel::OBMol>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6520:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6520 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBMol_Sg__at(const std::vector<OpenBabel::OBMol>*, std::vector<OpenBabel::OBMol>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6530:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6530 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(const std::vector<OpenBabel::OBMol>*, std::vector<OpenBabel::OBMol>::difference_type, std::vector<OpenBabel::OBMol>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6552:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6552 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_1(const std::vector<OpenBabel::OBMol>*, std::vector<OpenBabel::OBMol>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6561:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6561 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBBond_Sg__slice(std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >*, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6756:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6756 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBBond_Sg__delete_at(std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >*, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6802:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6802 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBBond_Sg__at(const std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >*, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6812:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6812 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBBond_Sg____getitem____SWIG_0(const std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >*, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6834:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6834 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBBond_Sg____getitem____SWIG_1(const std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >*, std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6843:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 6843 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBResidue_Sg__slice(std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >*, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7038:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7038 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBResidue_Sg__delete_at(std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >*, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7084:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7084 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBResidue_Sg__at(const std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >*, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7094:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7094 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBResidue_Sg____getitem____SWIG_0(const std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >*, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7116:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7116 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBResidue_Sg____getitem____SWIG_1(const std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >*, std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7125:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7125 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sg__slice(std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >*, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7320:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7320 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sg__delete_at(std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >*, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7366:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7366 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sg__at(const std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >*, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7376:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7376 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sg____getitem____SWIG_0(const std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >*, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7398:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7398 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sg____getitem____SWIG_1(const std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >*, std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7407:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7407 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sm__Sg__slice(std::vector<OpenBabel::OBRing*>*, std::vector<OpenBabel::OBRing*>::difference_type, std::vector<OpenBabel::OBRing*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7594:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7594 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sm__Sg__delete_at(std::vector<OpenBabel::OBRing*>*, std::vector<OpenBabel::OBRing*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7640:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7640 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sm__Sg__at(const std::vector<OpenBabel::OBRing*>*, std::vector<OpenBabel::OBRing*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7650:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7650 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getitem____SWIG_0(const std::vector<OpenBabel::OBRing*>*, std::vector<OpenBabel::OBRing*>::difference_type, std::vector<OpenBabel::OBRing*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7672:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7672 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getitem____SWIG_1(const std::vector<OpenBabel::OBRing*>*, std::vector<OpenBabel::OBRing*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7681:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7681 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg__slice(std::vector<OpenBabel::OBGenericData*>*, std::vector<OpenBabel::OBGenericData*>::difference_type, std::vector<OpenBabel::OBGenericData*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7876:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7876 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg__delete_at(std::vector<OpenBabel::OBGenericData*>*, std::vector<OpenBabel::OBGenericData*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7922:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7922 |       catch (std::out_of_range)
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg__at(const std::vector<OpenBabel::OBGenericData*>*, std::vector<OpenBabel::OBGenericData*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7932:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7932 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getitem____SWIG_0(const std::vector<OpenBabel::OBGenericData*>*, std::vector<OpenBabel::OBGenericData*>::difference_type, std::vector<OpenBabel::OBGenericData*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7954:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7954 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getitem____SWIG_1(const std::vector<OpenBabel::OBGenericData*>*, std::vector<OpenBabel::OBGenericData*>::difference_type)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7963:19: warning: catching polymorphic type 'class std::out_of_range' by value [-Wcatch-value=]
 7963 |       catch( std::out_of_range ) {
      |                   ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:8447:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
 8447 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:8474:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
 8474 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Iterator_next(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:8612:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
 8612 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:8636:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
 8636 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:8956:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8956 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:8956:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8956 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9010:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9010 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9010:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9010 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9011:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
 9011 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9439:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9439 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9439:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9439 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9496:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9496 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9496:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9496 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9497:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
 9497 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9958:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9958 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:9958:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9958 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10022:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10022 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10022:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10022 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10023:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
10023 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10449:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10449 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10449:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10449 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10506:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10506 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10506:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10506 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10507:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
10507 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10833:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10833 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10833:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10833 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10949:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10949 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:10949:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10949 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11009:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11009 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11009:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11009 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11010:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
11010 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11208:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11208 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11208:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11208 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11468:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11468 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11468:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11468 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11530:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11530 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11530 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11531:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
11531 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11960:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11960 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:11960:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11960 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12022:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12022 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12022:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12022 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12023:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
12023 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12450:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12450 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12450:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12450 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12512:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12512 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12512:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12512 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12513:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
12513 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12942:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12942 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:12942:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12942 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13004:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13004 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13004 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13005:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
13005 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13434:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13434 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13434:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13434 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13496:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13496 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13496:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13496 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13497:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
13497 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13925:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13925 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13925:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13925 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13986:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13986 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13986:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13986 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:13987:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
13987 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14421:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14421 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14421:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14421 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14484:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14484 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14484:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14484 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14485:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
14485 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBElement__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14981:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14981 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14981:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14981 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBElement(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:14982:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
14982 | SWIGINTERN VALUE _wrap_new_OBElement(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[14]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElementTable_get_atomic_num__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15147:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15147 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15147:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15147 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElementTable_get_atomic_num__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15163:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15163 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15163:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15163 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElementTable_corrected_bond_rad(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15256:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
15256 | SWIGINTERN VALUE _wrap_OBElementTable_corrected_bond_rad(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElementTable_corrected_vdw_rad(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15287:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
15287 | SWIGINTERN VALUE _wrap_OBElementTable_corrected_vdw_rad(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsotopeTable_get_exact_mass(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15418:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
15418 | SWIGINTERN VALUE _wrap_OBIsotopeTable_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15618:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15618 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15618:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15618 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15630:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15630 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15630:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15630 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15645:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15645 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15645:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15645 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15646:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15646 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15646:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15646 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15665:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15665 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15665:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15665 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15735:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15735 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15735:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15735 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15749:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15749 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15749:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15749 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15767:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15767 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15767:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15767 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15768:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15768 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15768:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15768 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15769:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
15769 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15797:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15797 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15797:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15797 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBRandom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:15938:91: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
15938 | SWIGINTERN VALUE _wrap_new_OBRandom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16046:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16046 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_Vector3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16172:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16172 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16172:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16172 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16237:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16237 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_end(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16261:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16261 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16289:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16289 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_add(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16397:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16397 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16397:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16397 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_random_unit_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16417:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16417 | SWIGINTERN VALUE _wrap_Vector3_random_unit_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_x(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16493:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16493 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_y(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16506:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16506 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_z(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16519:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16519 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap___sub__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:16673:86: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
16673 | SWIGINTERN VALUE _wrap___sub__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17029:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
17029 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17330:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
17330 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17371:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17371 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17371:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17371 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17474:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
17474 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17502:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17502 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17502:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17502 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17514:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17514 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17514:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17514 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17582:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17582 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17582:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17582 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17587:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17587 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17587 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17592:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17592 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17592:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17592 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17640:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17640 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17640:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17640 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17652:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17652 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17652:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17652 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17761:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
17761 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17779:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17779 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17779:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17779 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17794:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17794 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17794:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17794 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:17854:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
17854 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18014:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18014 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18014:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18014 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18018:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18018 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18018:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18018 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18080:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18080 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18080:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18080 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18094:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18094 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18094:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18094 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18191:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18191 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18262:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18262 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18386:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18386 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18455:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18455 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18510:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18510 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18510:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18510 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18552:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18552 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18573:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18573 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18594:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18594 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18616:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18616 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18638:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18638 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18661:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18661 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18685:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18685 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18710:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18710 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18734:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18734 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18780:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18780 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18809:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18809 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18834:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18834 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18858:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18858 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18884:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18884 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18910:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18910 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18946:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18946 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:18982:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
18982 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19018:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19018 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19054:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19054 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19099:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19099 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19126:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19126 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19159:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19159 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19340:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19340 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19373:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19373 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19437:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19437 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19500:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19500 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19532:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19532 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19576:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19576 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19708:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19708 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19793:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19793 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19843:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19843 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBChiralData(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:19903:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
19903 | SWIGINTERN VALUE _wrap_new_OBChiralData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20012:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
20012 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20101:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20101 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20101:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20101 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20102:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20102 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20102:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20102 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20137:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20137 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20137:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20137 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20140:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
20140 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20248:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20248 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20248:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20248 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20325:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
20325 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20452:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
20452 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20604:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20604 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20604:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20604 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20605:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20605 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20605:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20605 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20619:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20619 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20619:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20619 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20633:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20633 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20633:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20633 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20647:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20647 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20647:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20647 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20815:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
20815 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:20907:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
20907 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21185:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21185 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21185:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21185 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21221:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21221 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21275:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21275 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21327:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21327 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21429:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21429 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21429:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21429 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21431:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21431 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21431:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21431 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21433:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21433 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21433:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21433 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21435:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21435 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21435:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21435 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21471:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21471 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21471:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21471 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21539:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21539 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21539:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21539 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21540:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21540 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21540:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21540 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21604:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21604 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21604:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21604 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21605:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21605 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21605:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21605 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21623:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21623 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21623:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21623 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21624:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21624 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21645:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21645 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21645:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21645 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21663:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21663 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21663:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21663 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21664:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21664 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21664:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21664 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21691:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21691 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21691:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21691 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21692:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21692 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21692 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21705:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21705 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21705:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21705 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21706:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21706 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21706:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21706 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21715:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21715:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21716:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21716 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21716:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21716 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21723:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21723 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21723:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21723 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21724:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21724 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21742:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21742 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21742:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21742 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21743:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21743 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21743:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21743 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21752:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21752 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21776:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21786:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21786:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21854:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21854 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21854:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21854 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21856:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21856 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21856:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21856 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21884:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21884 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21884:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21884 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21886:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21886 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21886:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21886 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21910:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21910 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21910:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21910 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21911:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21911 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21911:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21911 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21912:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21912 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21912:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21912 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21932:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21932 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21932:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21932 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21933:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21933 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21933:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21933 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21948:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21948 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21948:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21948 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21957:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21957 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21957 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorInt(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2871:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 2871 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2871:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 2871 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:21972:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
21972 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2972:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 2972 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 2972 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2976:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 2976 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 2976 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2978:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 2978 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:2978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 2978 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22143:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22143 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22143:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22143 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22144:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22144 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22144:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22144 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22164:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22164 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22164:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22164 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22165:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22165 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22165:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22165 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22182:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22182 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22182:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22182 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22183:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22183 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22183:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22183 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorVInt(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3089:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3089 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3089 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3093:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3093 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3093:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3093 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22396:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22396 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22396:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22396 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22526:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22526 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22526:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22526 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22527:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22527 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22527:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22527 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22539:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22539 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22539:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22539 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22540:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
22540 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22566:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22566 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22566:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22566 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22567:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22567 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22567:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22567 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22585:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22585 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22585:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22585 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22586:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
22586 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22600:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22600 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22600:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22600 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22679:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22679 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22679:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22679 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22705:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22705 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22705:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22705 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22706:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22706 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22706:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22706 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorString(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3310:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3310 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3310:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3310 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22719:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22719 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22719:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22719 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3314:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3314 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3314 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3316:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3316 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3316 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22720:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
22720 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22735:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22735:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22761:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22761 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22761:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22761 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22776:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22820:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22820 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22820:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22820 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22865:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
22865 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22894:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
22894 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22919:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22919 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22919:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22919 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22920:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22920 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22920:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22920 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorVector3(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3425:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3425 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3425:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3425 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3429:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3429 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3429:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3429 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3431:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3431 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3431:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3431 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22937:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22937 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22937:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22937 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22938:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22938 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22938:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22938 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22953:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22953 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22953:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22953 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22954:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22954 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:22954:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22954 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23012:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23012 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23012:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23012 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23015:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23015 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23015:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23015 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23020:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23020 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23020:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23020 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23044:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23044 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23044:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23044 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23056:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23056 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23056:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23056 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23088:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23088 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23088:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23088 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23108:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23108 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23108:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23108 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23120:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23120 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23120:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23120 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3544:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3544 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3544 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3548:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3548 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3548 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3550:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3550 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3550:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3550 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23152:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23152 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23152:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23152 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23275:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23275 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23275:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23275 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23287:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23287 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23287:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23287 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23288:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23288 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23326:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23326 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23326:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23326 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23327:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23327 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23327:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23327 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23341:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23341 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23341:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23341 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23353:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23353 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23376:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23376 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23376:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23376 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23390:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23390 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23390:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23390 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23428:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23428 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3663:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3663 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3663 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3667:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3667 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23472:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23472 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3667:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3667 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3669:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3669 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3669:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3669 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23520:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23520 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23605:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23605 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23650:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23650 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23714:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23714 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23746:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23746 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3782:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3782 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3782 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3786:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23799:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23799 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23872:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23872 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23913:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
23913 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23966:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23966 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23966:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23966 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23989:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23989 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:23989:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23989 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3902:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3902 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3902 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3906:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3906 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3906 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24044:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24044 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24044:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24044 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3908:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 3908 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:3908:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 3908 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24167:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
24167 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4027:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4027 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4027 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24574:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
24574 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24763:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24763 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24763:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24763 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24767:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24767 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24767:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24767 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:24820:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
24820 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25111:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
25111 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25144:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
25144 | SWIGINTERN VALUE _wrap_OBAtom_get_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBElement(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4527:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4527 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4527:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4527 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4529:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4529 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4529 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4531:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4531 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4531:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4531 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4533:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25313:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25313 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25313:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25313 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25350:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25350 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25350:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25350 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25508:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
25508 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_is_hydrogen(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25607:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
25607 | SWIGINTERN VALUE _wrap_OBAtom_is_hydrogen(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBElementTable_GetAtomicNum(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4718:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4718 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4718:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4718 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4724:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4726:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4726 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4726:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4726 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4728:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4728 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4728 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4732:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4732 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4732 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4736:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4736 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4736 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBElementTable_CorrectedBondRad(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4813:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4813 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4813 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4819:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4819 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4819 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25883:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
25883 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBElementTable_CorrectedVdwRad(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4855:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4855 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25957:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25957 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:25957:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25957 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4855 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4861:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4861 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4861:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4861 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26076:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26076 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26171:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26171 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBIsotopeTable_GetExactMass(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4988:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4988 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4988 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4990:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4994:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4996:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4998:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 4998 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:4998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 4998 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26293:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26293 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26318:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26318 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26411:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26411 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMol(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26582:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26582 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26697:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26697 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5191:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5191 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5191:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5191 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5192:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5192 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5192:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5192 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26779:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26779 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5228:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26823:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26823 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5230:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5230 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5230 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26849:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26849 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5234:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5234 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5234:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5234 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5236:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5236 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5236:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5236 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26887:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26887 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5238:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5238 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5238:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5238 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5242:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5242 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5242:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5242 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26919:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26919 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26951:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26951 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:26978:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
26978 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5315:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5315 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5315:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5315 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5316:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5316 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5316:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5316 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27026:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27026 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5320:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5320 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5320 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5322:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5322 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5322 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5326:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5326 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5326:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5326 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5328:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5328 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5328:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5328 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5330:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5330 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5330 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27076:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27076 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27170:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27170 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27170:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27170 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27242:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27242 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27242:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27242 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27245:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27245 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27245:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27245 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27336:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27336 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27370:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27370 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27392:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27392 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_vector3(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5694:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5694 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5694:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5694 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_begin(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5757:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_end(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5774:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5774 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5774 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5778:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5778 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5778 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_Set(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5813:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5813 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5813 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5819:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5819 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5819 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27794:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27794 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27827:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27827 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_add(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5937:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5937 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5937:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5937 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5939:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5939 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5939:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5939 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5943:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5943 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5943 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:27915:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
27915 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_randomUnitVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5970:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5970 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5970 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5974:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5976:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 5976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:5976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 5976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28004:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28004 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28004:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28004 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_x(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6042:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6042 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6042:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6042 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6046:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6046 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6046 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28063:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28063 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_y(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6061:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6061 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6061 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6065:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6065 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6065:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6065 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28089:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28089 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_z(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6080:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6080 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6080:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6080 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6084:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6084 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6084:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6084 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28115:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28115 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28178:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28178 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28201:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28201 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_center(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28234:91: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28234 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap___sub__(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6209:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6209 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6209:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6209 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6213:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6213 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6213:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6213 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6215:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6215 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6215:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6215 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28470:91: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28470 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap___mul__(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6281:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6281 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6281:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6281 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6295:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6295 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6295:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6295 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:28722:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
28722 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_matrix3x3(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6529:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6529 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6529:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6529 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6531:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6531 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6531:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6531 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6533:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6533 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6533:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6533 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6585:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6585 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6585 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6592:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29168:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29168 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29168:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29168 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29292:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29292 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29292:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29292 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBGenericData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6903:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6903 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6903 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6905:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6905 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6905 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6909:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6909 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6909:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6909 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6911:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 6911 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:6911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 6911 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29608:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
29608 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29625:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29625 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29625:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29625 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29639:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29639 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29639:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29639 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29643:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29643 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:29643:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29643 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7052:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7056:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7113:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7113 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7113 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7115:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7115:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7119:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7119 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7119 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7121:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7125:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7125 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7125 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30094:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
30094 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7183:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7185:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7189:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7195:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7195 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7195:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7195 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7197:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7197 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7197:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7197 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7201:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7201 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7201 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7203:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7203 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7203:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7203 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30169:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
30169 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30223:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30223 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30223:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30223 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30238:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30238 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30238:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30238 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7305:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30260:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
30260 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7309:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7311:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7315:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7315 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7315 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7321:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7321 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7321 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7323:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7323 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7323:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7323 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7327:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7327 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7327:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7327 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30426:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30426 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30426:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30426 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30468:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30468 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30468:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30468 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30527:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
30527 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30572:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30572 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30572:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30572 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30573:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30573 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30573:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30573 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30588:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30588 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30588:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30588 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30592:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30592 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30592:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30592 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7409:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7411:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7411 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7411 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7415:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7415 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7415 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30611:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30611 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30611:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30611 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30678:3: warning: this 'else' clause does not guard... [-Wmisleading-indentation]
30678 |   else memset(arg1->fpid,0,16*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30678:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'else'
30678 |   else memset(arg1->fpid,0,16*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30698:3: warning: this 'else' clause does not guard... [-Wmisleading-indentation]
30698 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:30698:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'else'
30698 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                                       ^~~~~~
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/canonstabletest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/canonstabletest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7478:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7480:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7480 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7480 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31036:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31036 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31036:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31036 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31087:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31087 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31087:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31087 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31106:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31106 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31106:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31106 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31107:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
31107 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7622:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7622 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7622:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7622 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31120:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31120 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31120:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31120 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7624:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7624 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7624 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7628:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7628:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31147:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
31147 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31180:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
31180 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31224:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
31224 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7705:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7705 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7705:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7705 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31273:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
31273 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7709:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7709 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7709 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7711:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7711 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7711 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7715:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7715 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31299:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31299 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:7715:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7715 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31299:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31299 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31300:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31300 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31300:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31300 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31318:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31318 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31318:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31318 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31319:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
31319 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31356:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31356 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31356:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31356 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31357:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31357 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31357:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31357 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31388:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31388 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31388:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31388 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31401:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31401 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31401:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31401 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31533:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31533 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31533:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31533 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31554:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31554 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31554:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31554 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31575:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31575 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31575:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31575 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31596:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31596 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31596:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31596 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31618:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31618 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31618:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31618 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31641:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31641 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:31641:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31641 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8054:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8054 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8054:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8054 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8060:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8060 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8060:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8060 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8062:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8062 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8062:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8062 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8064:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8064 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8064:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8064 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8066:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8066 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8066:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8066 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8070:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8070 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8070 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8134:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8134 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8134:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8134 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8136:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8136 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8136 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8140:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8140:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8146:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8146 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8146 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8148:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8148 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8148:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8148 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8194:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8198:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8222:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8222 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8222:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8222 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8226:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8250:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8254:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8254 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8254:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8254 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8279:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8279 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8279:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8279 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8283:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8283 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8283:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8283 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8308:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8308 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8308:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8308 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8312:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8312 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8312 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8337:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8337:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8341:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8365:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8365 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8365:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8365 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8369:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8369 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8369 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8394:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8394 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8394:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8394 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8398:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8398 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8398 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8423:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8423 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8423:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8423 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8427:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8427 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8427:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8427 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8476:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8480:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8484:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8484 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8484 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8490:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8490 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8490 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32769:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32769 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32769:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32769 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32794:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32794 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32794:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32794 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32803:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32803 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32803:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32803 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8523:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8523 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8523:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8523 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8527:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8527 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8527:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8527 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:32873:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
32873 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8551:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8551 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8551:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8551 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8555:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8555 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8555:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8555 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8580:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8580 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8580 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8584:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8584 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8584:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8584 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33062:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33062 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33062:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33062 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8609:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8613:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8638:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8638 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8638:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8638 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8642:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8642 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8642:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8642 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33242:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33242 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33267:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33267 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33292:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33292 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8679:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8679 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33317:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33317 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8679:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8679 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8681:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8681 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8681:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8681 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33342:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33342 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8685:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8687:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8687 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8687:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8687 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33367:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33367 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33392:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33392 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33417:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33417 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8724:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8724 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8724 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8726:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8726 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8726:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8726 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8730:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8730 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8730 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8732:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8732 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8732:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8732 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33500:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33500 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33500:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33500 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8769:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8769 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8769:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8769 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8771:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8771 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8771:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8771 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8775:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8775 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8775:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8775 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8777:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8777 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8777:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8777 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33539:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33539 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8814:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8816:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8816 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8816:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8816 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8820:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8820 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8820 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8822:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8822 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8822:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8822 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33581:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33581 |   VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33610:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33610 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8870:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8874:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8874 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8874 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8878:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8878 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8878 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8880:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8880 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8880 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8884:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8884 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8884 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8886:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8886 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8886:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8886 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33653:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33653 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33699:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33699 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33728:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33728 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33761:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33761 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8913:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8917:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:8917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33823:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33823 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33823:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33823 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33889:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33889 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33940:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33940 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:33997:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
33997 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34049:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34049 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34127:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34127 |   VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34224:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34224 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9145:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9147:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9147 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9147 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9151:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9153:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9153 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9153 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9155:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9155 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9155 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34413:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34413 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34481:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34481 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34549:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34549 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9276:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9276:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9282:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9282 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9282 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9284:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9286:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9288:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9290:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9324:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9324 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9324:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9324 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9330:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9330 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9330 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9334:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34781:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34781 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34825:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34825 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34906:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34906 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34906:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34906 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9384:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9384:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9386:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9386:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9390:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:34961:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
34961 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9392:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9392 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9392:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9392 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9394:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9394 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9394:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9394 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35022:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35022 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35022:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35022 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35046:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35046:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35067:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35067 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35067:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35067 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35082:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35082 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35082:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35082 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35094:86: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
35094 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35272:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
35272 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9508:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9508 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9508:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9508 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35381:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35381 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35381:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35381 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35515:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35515 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35515:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35515 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9590:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9590 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9590 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9596:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9598:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9598 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9598:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9598 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9600:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9600 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9600 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9602:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9602 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9602 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9648:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9648 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9648:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9648 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9654:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9654 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9654:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9654 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9658:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9658 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9658:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9658 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35814:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
35814 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35887:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
35887 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:35937:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
35937 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36196:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
36196 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9939:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9939 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9939:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9939 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9950:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9950 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9950 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9954:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9954 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9954 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9965:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9965 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:9965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9965 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36273:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
36273 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36430:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
36430 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36610:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
36610 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10145:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10151:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36684:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36684 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36684:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36684 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10159:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10159 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10159 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10165:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10165 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10165 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36813:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
36813 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36888:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36888 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36888:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36888 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10268:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10274:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10274 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10274 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:36928:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
36928 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37111:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37111 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37111:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37111 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37115:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37115 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37115:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37115 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37161:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
37161 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37470:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
37470 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37505:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
37505 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37676:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37676 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37676:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37676 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37714:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37714 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37714:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37714 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37874:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
37874 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_is_hydrogen(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:37978:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
37978 | SWIGINTERN VALUE _wrap_OBMolAtomIter_is_hydrogen(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10656:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10656 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10656:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10656 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10658:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10658 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10658:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10658 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10662:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10662 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10662 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38287:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
38287 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38366:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38366 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38366:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38366 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38422:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
38422 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38452:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38452 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38452:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38452 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38464:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38464 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38464:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38464 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38479:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38479 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38479:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38479 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38481:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38481 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38481:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38481 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38533:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38533 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38533:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38533 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38538:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38538 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38538:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38538 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38543:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38543 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38543:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38543 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10992:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10992 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:10992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10992 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38592:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38592 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11002:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11002 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11002:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11002 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11004:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11004 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11004:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11004 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11006:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11006 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11006:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11006 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11008:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11008 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11008:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11008 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38592:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38592 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38604:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38604 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38604:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38604 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11048:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11048 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11048 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11052:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11052 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11052 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11054:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11054 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11054:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11054 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11056:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11058:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38726:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38726 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38726:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38726 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38769:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
38769 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11115:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11115:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11117:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11117 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11117:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11117 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11121:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11180:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11184:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38955:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38955 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38955:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38955 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38959:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38959 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:38959:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38959 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39006:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
39006 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11286:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11286 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11286 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11288:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11288 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11288:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11288 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11290:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11290 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11290:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11290 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11292:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11292 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11292:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11292 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11294:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11294 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11294:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11294 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11298:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11401:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11401 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11401:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11401 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11402:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11402 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11402:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11402 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39318:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
39318 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39353:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
39353 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11450:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11450 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11450:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11450 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11451:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11451 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11451:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11451 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11473:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11475:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39524:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39524 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39524:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39524 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11481:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11483:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39562:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39562 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39562:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39562 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11524:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11524 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11524:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11524 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11525:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11525 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11525:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11525 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39722:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
39722 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11548:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11548 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11548:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11548 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11549:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11549 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11549:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11549 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_is_hydrogen(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:39826:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
39826 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_is_hydrogen(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_List(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11589:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11589 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11589:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11589 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11594:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11594 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11594 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11613:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11613 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11613:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11613 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11614:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11614 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11614:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11614 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11630:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11630 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11630:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11630 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11720:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11720 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11720:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11720 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11721:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11721 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11721:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11721 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40135:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
40135 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11722:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11722 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11722:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11722 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11723:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11723 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11723:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11723 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40214:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40214 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40214:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40214 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11757:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11757 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11757:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11757 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11758:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11758 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11758:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11758 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11759:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11759 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40270:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
40270 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11759:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11759 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11760:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11760 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11760:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11760 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40300:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40300 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40300:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40300 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40312:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40312 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40312:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40312 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40327:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40327 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40327:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40327 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40329:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40329 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40329:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40329 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11787:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11787 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11787:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11787 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40381:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40381 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40381:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40381 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40386:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40386 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40386:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40386 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40391:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40391 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40391:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40391 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11789:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11789 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11789:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11789 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40440:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40440 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40440:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40440 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40452:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40452 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40452:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40452 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11812:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11812 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11812:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11812 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11814:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11814 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11814:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11814 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11830:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11830 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11830:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11830 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11831:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11831 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11831:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11831 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40574:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40574 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40574:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40574 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40617:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
40617 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11854:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11856:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11856 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11856 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11860:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11860 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11860:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11860 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11862:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11862 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11862 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11864:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11864 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11864 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11868:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11868 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11868 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11870:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11870 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11870 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11872:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11872 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11872 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11874:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11874 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11874 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11878:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11878 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11878 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11880:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11880 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11880 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11882 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11882 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11884:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11884 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11884 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11886:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11886 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11886:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11886 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11890:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11890 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11890:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11890 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11892:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11892 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11892 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11894:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11894 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11894:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11894 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11896:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11896 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11896:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11896 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11898:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11898 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:11898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11898 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40803:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40803 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40803:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40803 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40807:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40807 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40807:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40807 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:40854:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
40854 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12050:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12050 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12050:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12050 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12051:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12051 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12051:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12051 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12072:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12072 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12072:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12072 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12073:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12073 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12073:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12073 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12091:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12091 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12091:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12091 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12092:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12092 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12092:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12092 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12096:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12096 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12096:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12096 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12098:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12098 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12098:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12098 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12102:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12102 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12102:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12102 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12104:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12104 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12104:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12104 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12110:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12110 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12110:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12110 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12112:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12112 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12112:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12112 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12114:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12114 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12114 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12118:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12118 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12118 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12120:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12120 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12120:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12120 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12122:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12122 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12122 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12128:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12128 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12128 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12130:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12130 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12130 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12132:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12132 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12132 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41166:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
41166 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41201:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
41201 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41372:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41372 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41372:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41372 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41410:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41410 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41410:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41410 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41570:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
41570 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_is_hydrogen(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41674:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
41674 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_is_hydrogen(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12446:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12446 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12446:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12446 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12447:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12447 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12447:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12447 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12463:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12463 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12463:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12463 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12469:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12469 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12469 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12495:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12495 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12495:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12495 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12496:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12496 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12496:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12496 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_Display(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12518:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12520:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12526:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12528:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:41983:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
41983 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42062:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42062 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42062:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42062 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42118:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42118 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBConversion(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12620:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12620 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12620 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12631:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12631 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12631 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42148:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42148:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42160:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42160 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12661:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12661 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12661:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12661 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12662:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12662 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12662:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12662 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42160:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42160 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12682:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12682 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12682 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12688:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42175:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42175 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42175:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42175 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42177:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42177 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42177:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42177 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12717:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42229:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42229 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42229:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42229 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42234:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42234 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42234:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42234 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42239:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42239 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42239:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42239 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42288:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42288 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42288:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42288 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42300:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42300:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12777:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42422:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42422 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42422:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42422 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12792:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12792 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12792 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42465:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42465 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12857:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12857 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12857 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12863:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12863 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12863:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12863 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42606:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42606 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12899:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12899 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12899 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12905:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12905 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12905 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12934:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12934 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12934:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12934 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12935:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12935 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12935:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12935 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12952:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12952 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12952:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12952 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12953:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12953 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12953:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12953 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42704:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42704 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12967:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12967 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12967:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12967 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12968:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12968 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:12968:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12968 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13028:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13030:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13030 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13030:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13030 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13032:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13036:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13043:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13043 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13043 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13045:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13045 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13045:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13045 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13047:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13047 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13047 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13053:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13053 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13053:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13053 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13062:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13062 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13062 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13064:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13064 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13064 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13066:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13066 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13066 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13074:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13074 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13074 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42826:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42826 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42850:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42850 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13148:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13148 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13148:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13148 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13150:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13150 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13150 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13154:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13160:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13160 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13160:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13160 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13162:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13168:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:42948:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
42948 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13237:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13239:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13243:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13249:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13249 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13249:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13249 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13251:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13251 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13251 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13257:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13257 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13257:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13257 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43169:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43169 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43199:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43199 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43199:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43199 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43211:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43211 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43211:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43211 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43226:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43226 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43226:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43226 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43228:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43228 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43228:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43228 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43280:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43280 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43280:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43280 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13396:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13402:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13402:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43285:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43285 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43285:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43285 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43290:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43290 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43290:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43290 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43339:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43339 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13457:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13457 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13457:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13457 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43339:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43339 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13472:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13472 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13472:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13472 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13478:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13478 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13478 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13485:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13485 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13485 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43351:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43351 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43351:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43351 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13527:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13527 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13527:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13527 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43460:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43460 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43460:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43460 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43500:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43500 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13575:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13577:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13581:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13583:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13590:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43630:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43630 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13639:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43727:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43727 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13641:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13641 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13641:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13641 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13645:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13645 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13645 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13647:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13647 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13647 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43849:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43849 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43873:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43873 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13698:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13698 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13698:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13698 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13702:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13702 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13702 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:43971:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
43971 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13792:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13796:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13849:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13849 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13849:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13849 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13853:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44192:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
44192 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44222:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44222 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44222:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44222 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44234:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44234 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44234:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44234 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44249:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44249 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44249:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44249 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44251:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44251 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44251:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44251 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_Write(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13921:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13921 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13921 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13923:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13923 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13923 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44303:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44303 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44303:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44303 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13927:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13927 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13927 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44308:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44308 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44308:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44308 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13929:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44313:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44313 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44313:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44313 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44362:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44374:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44374 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44374:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44374 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13966:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13968:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13972:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13972 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13972 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13974:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:13974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44485:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44485 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44485:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44485 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44526:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
44526 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_Read(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14032:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14034:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14038:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14038 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14038 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14040:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44701:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44701 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44701:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44701 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44705:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44705 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44705:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44705 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:44752:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
44752 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14118:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14124:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14124 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14124:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14124 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14128:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14128 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14128 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14237:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14239:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14243:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14245:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14431:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14435:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14810:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14810 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14810 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14814:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14816:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14816 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14816:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14816 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14820:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14822:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14822 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14822:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14822 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14824:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14824 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14824 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14828:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14828 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14828:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14828 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14830:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14830 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14830 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14832:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14832 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14832:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14832 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14838:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14838 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14838:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14838 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14840:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14840 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14840 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14842:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14842 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14842:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14842 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14850:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14850 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14850 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14852:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14852 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14852 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14854:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14854 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:14854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14854 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45062:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
45062 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45097:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
45097 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15047:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15047 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15047 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15049:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15049 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15049 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15053:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15053 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15053:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15053 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45268:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45268 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45268:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45268 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45306:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45306 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45306:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45306 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15118:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15122:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15124:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15124 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15124:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15124 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15128:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15128 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15128 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45466:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
45466 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_is_hydrogen(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45570:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
45570 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_is_hydrogen(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45879:114: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
45879 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45958:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:45958:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46014:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46014 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46044:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46044 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46044:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46044 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46056:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46056 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46056:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46056 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46071:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46071 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46071:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46071 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46073:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46073 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46073:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46073 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46125:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46125 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46125:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46125 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46130:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46130 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46130:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46130 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46135:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46135 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46135:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46135 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46184:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46184 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46184:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46184 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46196:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46196 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46196:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46196 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15425:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15425 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15425:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15425 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15429:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15429 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15429:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15429 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46307:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46307 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46307:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46307 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46348:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46348 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15464:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15464 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15464:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15464 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15468:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46479:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46479 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46576:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46576 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15625:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15625 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15625:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15625 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15627:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15631:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15633:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15637:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15637 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15637 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15676:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15678:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15680:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15684:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46698:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46698 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46722:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46722 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:46820:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
46820 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15851:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15851 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15851 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15855:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15855 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15855 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47041:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
47041 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47071:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47071 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47071:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47071 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47083:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47083 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47083:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47083 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47098:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47098 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47098:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47098 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47100:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47100 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47100:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47100 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47152:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47152 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47152:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47152 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47157:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47157 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47157:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47157 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47162:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47162 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47162:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47162 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_IsHydrogen(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15958:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15958 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15958 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15962:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15962 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:15962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15962 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47211:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47211 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47211:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47211 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47223:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47223 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47223:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47223 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47332:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47332 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47332:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47332 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47372:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
47372 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47440:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47440 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47440:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47440 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47463:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47463 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47463:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47463 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16250:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16254:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16254 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16254:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16254 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47641:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
47641 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47845:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
47845 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47875:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47875 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47875:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47875 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47887:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47887 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47887:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47887 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47902:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47902 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47902:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47902 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47904:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47904 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47904 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16454:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16460:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16462:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47956:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47956 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47956:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47956 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47961:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47961 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47961:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47961 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47966:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47966 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:47966:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47966 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48015:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48015 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48015:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48015 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48027:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48027 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48027:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48027 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16569:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16569:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48140:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48140 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48140:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48140 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48182:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
48182 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16694:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16694 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16694 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16698:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16698 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16698:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16698 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48364:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48364 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48364:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48364 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16723:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48368:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48368 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48368:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48368 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16727:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16727 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16727:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16727 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48415:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
48415 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16823:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16827:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16827:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48727:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
48727 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_residue(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48762:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
48762 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBMol(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16995:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16995 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:16995:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16995 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48934:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48934 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48934:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48934 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48972:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48972 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:48972:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48972 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17117:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17119:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17119 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17119:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17119 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17123:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17125:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17125 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17125:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17125 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49132:120: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
49132 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_is_hydrogen(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49236:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
49236 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_is_hydrogen(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17215:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17215 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17215:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17215 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17217:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17217 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17217:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17217 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17221:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17230:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17230 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17230 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17240:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17240 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17240:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17240 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17290:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17290 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17290 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17294:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17294 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17294 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17296:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17296 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17296 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17323:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17323 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17323:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17323 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17327:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17327 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17327:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17327 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17329:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17329 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17329:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17329 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17371:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17371 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17371 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17373:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17377:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17379:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17379 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17379:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17379 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17416:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17418:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17422:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17422 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17422:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17422 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17424:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17424:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49545:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
49545 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17461:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17461 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17461:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17461 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17463:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17463 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49624:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49624 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17463:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17463 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49624:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49624 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17467:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17467 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17467:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17467 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17469:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17469 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17469 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17501:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17501 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17501:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17501 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17505:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17505 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17505:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17505 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49680:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
49680 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49710:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49710:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17557:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17557 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17557:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17557 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49722:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49722 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49722:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49722 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49737:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49737 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49737:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49737 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49739:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49739 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49739:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49739 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17620:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17620 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17620 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17624:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49791:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49791 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49791:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49791 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49796:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49796 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49796:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49796 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49801:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49801 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49801:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49801 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49850:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49850 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49850:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49850 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49862:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49862 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49862:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49862 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49973:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49973 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:49973:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49973 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17719:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17725:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17727:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17727 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17727:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17727 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50052:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50052 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50052:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50052 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17729:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17729 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17729 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17733:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17733 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17733 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/optswx.cpp: In member function 'bool DynOptionswx::Construct(const char*, const char*, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/optswx.cpp:223:16: warning: suggest parentheses around assignment used as truth value [-Wparentheses]
  223 |         if(pdef=strcasestr(pCaption,"default"))
      |            ~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/optswx.cpp:226:17: warning: unused variable 'tok' [-Wunused-variable]
  226 |           char* tok=strtok(pdef," :-\t</\"\'");
      |                 ^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50129:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50129 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50129 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50204:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50204 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50204:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50204 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50244:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable]
50244 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17805:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17805 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17805 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17807:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50300:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50300 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50300:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50300 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17809:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17811:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17811 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17811 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17813:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17813 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17813 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17817:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17817 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17817 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50366:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50366 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50366:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50366 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50383:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50383 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:50383:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50383 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/optswx.cpp:293:60: warning: statement has no effect [-Wunused-value]
  293 |           strcasecmp(pdef,"no") && !strcasecmp(pdef,"not") && strcasecmp(pdef,"none");
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17924:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17924 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17924:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17924 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17928:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17928 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17928 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17934:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17934 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17934 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17941:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17941 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17941:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17941 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17981:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17981 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17981:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17981 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17985:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17985 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:17985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17985 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18013:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18017:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18017 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18017:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18017 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18114:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18116:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18120:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18120 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18120:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18120 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18413:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18413 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18413:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18413 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18419:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18419:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18459:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18459 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18459:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18459 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18463:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18463 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18463:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18463 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Translate(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18502:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18504:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18504 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18504:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18504 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18508:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18508:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18510:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18510 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18510:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18510 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18553:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18553 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18553:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18553 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18559:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18559 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18559:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18559 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18565 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18565 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18623:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18623 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18623 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18627:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18627 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18627 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18629:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18629 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18629 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18725:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18729:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18729 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18729 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18731:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18731 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18731 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18735:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18735 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18735 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18741:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18741 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18741 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18749 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18749 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18825:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18825 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18825:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18825 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18831:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18831 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18831 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18839:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18839 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18839 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18872:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18876:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Separate(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18909:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18909 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18909:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18909 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18913:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18913 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18913 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18982:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18986:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:18986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19015:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19019:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Center(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19057:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19061:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19159:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19161:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19161 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19161:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19161 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19168:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19172:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19172 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19172 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19174:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19174 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19174:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19174 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19311:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19311 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19311 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19315:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19590:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19590 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19590 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19594:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_ThrowError(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19817:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
19817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:19817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
19817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20030:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20030 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20030:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20030 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20034:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20034 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20034:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20034 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20040:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20040 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20040:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20040 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRing_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20096:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20096 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20096:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20096 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20098:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20102:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20102 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20102:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20102 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20148:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20148 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20148:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20148 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20150:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20150 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20150 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20154:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20156:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20156 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20156:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20156 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<int>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4418:94:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<int>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4541:98:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<unsigned int>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4780:112:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<unsigned int>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:4903:116:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<unsigned int>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20418:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20420:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20420 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20420:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20420 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20424:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20424:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<std::vector<int> >; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5092:168:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<std::vector<int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<std::vector<int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<std::vector<int> >; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5215:172:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::vector<int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::vector<int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<double>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5418:100:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<double>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5541:104:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<std::__cxx11::basic_string<char> >; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5870:110:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20612:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<std::__cxx11::basic_string<char> >; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:5993:114:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<std::__cxx11::basic_string<char> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20614:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20618:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20618 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20618:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20618 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20620:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20626:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20626 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20626:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20626 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20628:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20628 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20628:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20628 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20634:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20634 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20634:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20634 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20636:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20636 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20636:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20636 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::vector3>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6190:124:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::vector3>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::vector3>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::vector3>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6313:128:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::vector3>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::vector3>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBMol>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6472:120:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBMol>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20747:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20747 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBMol>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20747:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20747 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20749 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20749 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20755:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20755 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20755:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20755 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20757:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20763:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20763 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20763:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20763 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20765:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20765 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20765 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20773:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20773 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20773:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20773 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20775:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20775 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20775:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20775 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBMol>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6595:124:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBMol>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBMol>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6754:122:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:6877:126:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBBond, std::allocator<OpenBabel::OBBond> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7036:128:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20907:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20907 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20907:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20907 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20909:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20909 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20909:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20909 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7159:132:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBResidue, std::allocator<OpenBabel::OBResidue> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20911:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20917:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20919:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20921:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7318:122:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7441:126:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBRing, std::allocator<OpenBabel::OBRing> >::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20981:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20981 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20981:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20981 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20987:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:20987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBRing*>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7592:125:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBRing*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBRing*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBRing*>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7715:129:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBRing*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBRing*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21041:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21043:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21047:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBGenericData*>; Difference = long int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7874:139:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBGenericData*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector<OpenBabel::OBGenericData*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21076:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21080:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21080 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21080:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21080 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector<OpenBabel::OBGenericData*>; Difference = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:7997:143:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBGenericData*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                   ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/ruby/openbabel-ruby.cpp:3285:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<OpenBabel::OBGenericData*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
 3285 |     typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size));
      |                                                                                ~~^~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21249:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21249 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21249:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21249 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21296:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21296 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21296 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21298:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21298 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21298 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21302:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21302 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21302 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21304:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21304 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21304:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21304 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21306:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21306:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21341:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21343:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21347:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21349:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21349 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21349:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21349 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21351:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21351 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21351:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21351 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21397:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21397 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21397:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21397 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21399:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21399 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21399:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21399 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21401:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21401:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21405:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21405 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21405 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21407:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21409:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21411:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/optswx.cpp:19:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./babel.xpm: At global scope:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/./babel.xpm:2:20: warning: 'sample_xpm' defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21463:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21463 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21463:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21463 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21465:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21465 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21465:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21465 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21467:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21467 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21467:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21467 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21473:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21473 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21473 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21475:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21475 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21475 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21477:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21481:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21505:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21505 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21505:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21505 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21506:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21506 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21506:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21506 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21528:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21528 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21528 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21530:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21530 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21530:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21530 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21536:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21536 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21536 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21538:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21538 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21538:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21538 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21577:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21585:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21585 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21585 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21587:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21587 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21587:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21587 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21589:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21589 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:21589:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21589 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:22962:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:22962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23034:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23036:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23040:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23042:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23042:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23425:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23425 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23425:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23425 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23429:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23429 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23429:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23429 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23458:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23458 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23458 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23462:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23491:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23495:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23495 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23495 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23524:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23528:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23557:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23557 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23557:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23557 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23590:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23590 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23590 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23594:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23623:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23623 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23623 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23627:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23627 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23627 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23656:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23656 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23656:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23656 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23660:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23660 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23660:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23660 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23749 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23749 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23751:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23751 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23751:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23751 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23755:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23755 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23755:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23755 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23803:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23803 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23803:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23803 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23807:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23807 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23807 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23809:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23809 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23809 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23813:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23813 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23813 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23815:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23815 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23815:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23815 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23862:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23862 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23862 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23866:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23866 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23866:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23866 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23868:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23868 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23868 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23872:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23872 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23872 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23874:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23874 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23874 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23905:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23905 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23905 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23909:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23909 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23909:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23909 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23911:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23911 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23911 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.o
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23960:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23960 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/carspacegrouptest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/carspacegrouptest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23960:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23960 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23962:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23966:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23968:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23968 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23968 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23970:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23974:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23974 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23974 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23976:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23976 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23976 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23978:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23978 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:23978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23978 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24030:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24030 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24030:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24030 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24032:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24036:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24038:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24038 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24038 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24040:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24044:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24044 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24044 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24046:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24046 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24046 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24048:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24048 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24048 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24079:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24083:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24083 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24083:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24083 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24085:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24124:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24124 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24124:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24124 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24126:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24128:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24132:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24134:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24134 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24134:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24134 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24136:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24196:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24196 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24196 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24198:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24200:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24200 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24200:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24200 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24204:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24204 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24204:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24204 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24282:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24288:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24296:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24296 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24296 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24355:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24355 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24355:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24355 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24359:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24359 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24359:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24359 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24365:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24365 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24365:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24365 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24373:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24373 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24373 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24437:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24437 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24437:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24437 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24443:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24443 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24443:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24443 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24451:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24451 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24451 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24510:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24514:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24520:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24528:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24528 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24528 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24616:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24624:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24634:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24634 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24634:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24634 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24951:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24951 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24951:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24951 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24953:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24953 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24953:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24953 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24955:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24955 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:24955:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24955 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25038:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25038 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25038:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25038 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25040:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25040 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25040:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25040 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25042:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25042 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25042:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25042 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25044:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25044 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25044:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25044 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25131:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25131 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25131:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25131 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25133:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25133 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25133:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25133 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25135:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25135 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25135:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25135 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25137:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25137 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25137:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25137 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25379:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25379 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25379:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25379 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25381:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25381 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25381:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25381 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25385:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25387:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25387 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25387:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25387 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25435:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25435 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25435 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25439:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25439:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25527:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25527 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25527:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25527 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25534:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25534 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25534:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25534 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25543:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25543 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25543 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25552:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25552 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25552 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25620:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25620 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25620 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25624:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBOp_Do(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25759:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25759 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25759:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25759 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25761:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25765:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25767:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25767 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25767:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25767 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25773:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25773 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25773:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25773 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25775:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25775 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25775:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25775 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25783:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25783 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25783:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25783 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25785:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25785 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25785:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25785 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBBitVec(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25884:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25884 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25884 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25969:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25973:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25975:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:25975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26394:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26394 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26394:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26394 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26396:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26396 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26396:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26396 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26400:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26400 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26400 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26489:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26496:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_Set(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26584:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26584 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26584:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26584 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26591:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26591 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26591 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26600:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26659:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26659:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26663:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26914:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26916:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26916 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26916:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26916 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26920:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26920 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26920:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26920 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26922:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26922 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:26922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26922 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27005:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27007:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27007 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27007:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27007 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27011:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27013:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27013 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27013 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27315:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27317:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27323:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27323 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27323:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27323 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27325:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27325 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27325:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27325 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27327:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27327 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27327:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27327 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27398:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27404:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27410:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27412:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27412 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27412:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27412 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27416:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27416 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27416 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27551:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27551 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27551:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27551 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27553:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27553 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27553:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27553 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27557:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27557 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27557:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27557 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27672:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27672 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27672:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27672 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27720:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27720 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27720:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27720 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27724:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27911:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27913:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27917:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27973:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27977:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27977:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27979:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27979 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27979:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27979 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27983:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27983 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:27983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27983 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28305:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28309:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28344:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28344:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28348:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28348 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28348:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28348 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28510:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28512:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28512 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28512:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28512 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28516:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28516 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28516 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28518:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28522:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28522 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28522:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28522 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28561 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28561 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28563:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28569:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28569:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28741:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28745:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28745 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28745:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28745 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_IsHydrogen(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28851:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28851 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28851 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28855:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28855 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:28855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28855 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29169:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29173:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29173 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29173 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29309:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29309 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29309 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29313:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29370:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29370 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29370:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29370 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29372:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29376:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29376:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29378:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29382:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29382:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29440:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29442:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29442:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29446:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29452:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29452 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29452:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29452 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29454:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29454 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29454 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29458:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29458 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29458 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29460:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29460 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29460 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29552:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29556:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29556:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29558:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29562:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29562 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29562:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29562 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29568:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29568 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29568:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29568 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29570:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29570 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29570 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29574:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29574 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29574:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29574 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolAtomDFSIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29656:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29656 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29656:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29656 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29664:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29664 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29664:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29664 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29713:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29713 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29713 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29717:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29717 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29717 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29912:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29914:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29918:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_SetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29974:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29978:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29980:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29980 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29980:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29980 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29984:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:29984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_GetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30306:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30306 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30306:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30306 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30310:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30310 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30310:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30310 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_GetResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30345:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30345 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30345:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30345 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30349:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30349 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30349:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30349 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_GetDistance(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30511:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30511 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30511:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30511 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30513:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30513 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30513 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30517:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30517 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30517:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30517 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30519:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30519 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30519:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30519 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30523:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30523 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30523:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30523 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30563:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30567:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30567 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30567:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30567 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30571:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30571 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30571:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30571 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30745:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30745 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30745:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30745 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_IsHydrogen(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30855:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30855 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30855 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30859:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30859 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:30859:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30859 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31174:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31174 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31174:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31174 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31178:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31314:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31318:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31318 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31318:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31318 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31375:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31375 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31375 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31377:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31377 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31377 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31381:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31381 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31381:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31381 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31383:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31383 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31383:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31383 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31387:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31387 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31387:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31387 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31445:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31445:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31447:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31447:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31451:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31457:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31457 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31457:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31457 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31459:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31459 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31459:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31459 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31463:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31463 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31463:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31463 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31465:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31465 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31465:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31465 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomDFSIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31557:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31557 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31557:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31557 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31561 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31563:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31563 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31563 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31567:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31567 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31567:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31567 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31573:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31573 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31573:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31573 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31575:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31575 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31575 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31579:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31579 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31579 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolAtomBFSIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31663:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31671 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31671 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31720:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31720 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31720:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31720 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31724:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
[ 88%] Linking CXX executable ../../bin/obgui
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31920:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31920 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31920:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31920 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31922:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31922 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31922 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31926:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31926 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31926:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31926 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obgui.dir/OBGUI.o CMakeFiles/obgui.dir/stdwx.o CMakeFiles/obgui.dir/optswx.o  -o ../../bin/obgui  ../../lib64/libopenbabel.so.5.0.0 -pthread -lwx_baseu-3.0 -lwx_gtk3u_core-3.0 -lwx_gtk3u_adv-3.0 -lm -ldl -lz 
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_SetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31982:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31986:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31988:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31988 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31988:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31988 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31992:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:31992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_GetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32314:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32318:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32318 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32318:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32318 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_GetResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32353:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32353 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32353:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32353 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32357:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32357 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32357:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32357 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_GetDistance(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32519:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32519 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32519:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32519 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32521:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32521 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32521:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32521 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32525:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32525 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32525:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32525 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32527:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32527 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32527:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32527 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32531:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32531 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32531:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32531 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32571:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32571 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32571:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32571 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32573:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32573 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32573:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32573 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32575:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32579:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32757:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_IsHydrogen(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32863:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32863 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32863:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32863 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32867:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32867 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:32867:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32867 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33182:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33186:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33186:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33322:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33322 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33322 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33326:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33326 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33326:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33326 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33383:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33383 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33383:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33383 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33385:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33385 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33385 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33389:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33389 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33389:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33389 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33391:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33391 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33391:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33391 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33395:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33395 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33395:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33395 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33453:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33455:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33455 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33455:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33455 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33459:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33459 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33459:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33459 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33465:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33465 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33465:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33465 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33467:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33467 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33467:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33467 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33471:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33471 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33471 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33473:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33473 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33473 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomBFSIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33569:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33569:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33571:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33571 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33571:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33571 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33575:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33575 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33575 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33581:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33581 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33581 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33583:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33583 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33583 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33587:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33587 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33587:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33587 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBMolBondBFSIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33671 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33671 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33679:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33679 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33679:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33679 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33728:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33732:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_SetLength(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33881:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33881 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33881:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33881 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33887:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33889:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:33889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_SetInRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34002:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34002 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34002:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34002 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34006:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34006 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34006 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_GetBeginAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34137:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34137 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34137:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34137 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34141:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34141 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34141:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34141 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_GetEndAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34165:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34165 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34165 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34169:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34169 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34169 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_IsRotor(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34268:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34272:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34272 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34272:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34272 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34493:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34497:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34497 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34497:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34497 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34554:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34554 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34554 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34556:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34556 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34556:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34556 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34560:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34562:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34562 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34562:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34562 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34566:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34566 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34566 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34624:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34624 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34624 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34626:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34626 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34626:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34626 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34630:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34630 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34630:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34630 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34636:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34636 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34636:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34636 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34638:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34638 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34638:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34638 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34642:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34642 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34642:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34642 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34644:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34644 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34644 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMolBondBFSIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34736:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34736 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34736 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34740:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34740 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34740:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34740 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34742:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34742 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34742:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34742 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34746:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34746 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34746:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34746 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34752:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34752 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34752:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34752 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34754:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34754 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34754 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34758:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34758 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34758:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34758 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolBondIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34830:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34830 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34830 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34878:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34882 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:34882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34882 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_SetLength(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35022:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35022 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35022:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35022 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35028:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35028 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35028 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35030:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35030 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35030:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35030 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_SetInRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35142:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35142 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35142:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35142 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35146:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_GetBeginAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35277:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35281:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_GetEndAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35305:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35309:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_IsRotor(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35408:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35408 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35408 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35412:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35412 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35412:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35412 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 88%] Built target obgui
make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35633:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35633 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35633 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35637:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35637 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35637 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35694:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35694 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35694 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35696:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35696 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35696:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35696 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35700:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35700 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35700:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35700 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35702:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35702 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35702 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35706:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35706 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35706 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
[ 88%] Generating python/openbabel-python.cpp, python/openbabel.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/swig -python -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -o /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp "-DHAVE_EIGEN -DHAVE_EIGEN3" -outdir /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/openbabel-python.i
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35764:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35766:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35770:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35776:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35778:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35778 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35778 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35782:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35782 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35782 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35784:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35784 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35784 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolBondIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35876:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35880:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35882 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35882 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35886:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35886 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35886:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35886 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35892:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35892 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35892 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35894:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35894 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35894:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35894 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35898:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35898 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35898 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBAtomAtomIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35969:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35969 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:35969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35969 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36019:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36019 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36019 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36023:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36210:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36212:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36212 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36212:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36212 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36216:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_SetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36272:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36272 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36272:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36272 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36276:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36276 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36276:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36276 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36278:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36278 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36278:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36278 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36282:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36282 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36282 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_GetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36604:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36604 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36604:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36604 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36608:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_GetResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36643:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36643 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36643 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36647:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36647 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36647 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_GetDistance(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36809:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36811:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36811 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36811 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36815:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36815 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36815:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36815 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36817:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36817 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36817 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36821:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36821 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36821:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36821 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36860:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36860 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36860:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36860 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36862:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36862 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36862 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36864:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36864 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36864 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36868:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36868 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:36868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36868 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37040:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37040 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37040 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37044:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37044 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37044 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_IsHydrogen(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37150:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37150 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37150 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37154:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37468:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37468 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37468 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37472:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37472 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37472:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37472 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37608:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37608 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37608 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37612:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37612 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37612 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37669:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37675:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37677:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37677 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37677 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37681:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37681 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37681:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37681 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37739:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37739 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37739:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37739 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37741:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37745:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37745 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37745:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37745 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37751:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37751 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37751:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37751 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37753 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37753 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37757:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37757 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37757 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37759:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37759 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37759:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37759 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomAtomIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37851:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37851 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37851 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37855:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37855 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37855 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37857:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37861:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37861 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37861:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37861 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37867:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37867 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37867:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37867 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37869:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37869 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37869:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37869 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37873:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37873 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37873:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37873 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBAtomBondIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37944:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37944 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37944 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37994:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37994 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37994 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37998:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37998 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:37998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37998 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_SetLength(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38138:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38138 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38138:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38138 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38144:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38144 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38144:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38144 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38146:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_SetInRing(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38258:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38262:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_GetBeginAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38393:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38397:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38397 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38397:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38397 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_GetEndAtom(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38421:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38421 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38421 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38425:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38425 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38425:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38425 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_IsRotor(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38524:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38528:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38749 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38749 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38753 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38753 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38810:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38812:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38816:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38816 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38816:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38816 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38818:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38822:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38822 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38822:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38822 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38880:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38880 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38880 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38882 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38882 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38886:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38886 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38886:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38886 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38892:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38894:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38894 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38894:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38894 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38898:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38898 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38898 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38900:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38900 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38900 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBAtomBondIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38992:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38992 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38992 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38996:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38998:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38998 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:38998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38998 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39002:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39002 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39002:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39002 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39008:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39008 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39008 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39010:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39010 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39010 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39014:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39014 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39014:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39014 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBResidueIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39085:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39133:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39133 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39133 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39137:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39137 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39137:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39137 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_SetNum(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39227:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39229:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39233:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39235:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39235 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39235 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_GetBonds(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39419:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39419 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39419:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39419 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39423:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39423 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39423:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39423 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39622:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39622 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39622:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39622 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39626:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39626 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39626:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39626 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39683:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39683 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39683 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39685:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39685 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39685 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39689:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39691:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39695:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39755:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39755 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39755:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39755 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39759:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39759 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39759:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39759 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39765:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39765 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39765 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39767:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39767 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39767:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39767 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39771:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39771 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39771:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39771 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39773:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39773 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39773:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39773 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39865:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39865 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39865:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39865 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39869:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39869 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39869:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39869 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39871:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39871 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39871:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39871 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39875:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39875 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39875:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39875 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39881:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39881 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39881:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39881 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39883:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39883 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39883 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39887:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39887 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39887 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBResidueAtomIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39958:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39958 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:39958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39958 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40008:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40008 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40008 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40012:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40012 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40012:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40012 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40199:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40199 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40199:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40199 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40201:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40205:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_SetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40261:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40265:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40267:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40267 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40267:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40267 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40271:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40271 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40271 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/cifspacegrouptest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/cifspacegrouptest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_GetVector(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40593:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40593 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40593 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40597:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40597 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40597:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40597 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_GetResidue(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40632:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40632 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40632:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40632 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40636:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40636 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40636:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40636 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_GetDistance(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40798:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40800:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40804:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40804 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40804:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40804 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40806:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40810:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40810 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40810 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_GetAngle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40850:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40852:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40854:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40854 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40854 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40858:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40858 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:40858:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40858 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/obconversion.h:369: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41032:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41036:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_IsHydrogen(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41142:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41142 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41142:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41142 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41146:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41461:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41461 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41461:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41461 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41465:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41465 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41465:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41465 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_GetTitle(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41601:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41601:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41605:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41605:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_HasData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41663:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41665:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41665 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41665:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41665 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41669:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41669 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41669 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41671 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41671 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41675:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41675 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41675 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_DeleteData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41733:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41733 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41733 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41735:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41739:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41739 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41739:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41739 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41745:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41745 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41745:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41745 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41747:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41747 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41747:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41747 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41751:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41751 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41751:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41751 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41753 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41753 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBResidueAtomIter_GetData(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41845:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41849:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41849 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41849:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41849 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41851:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41855:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41855 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41855 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41861:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41861 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41861:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41861 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41863:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41863 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41863:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41863 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41867:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41867 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41867:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41867 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolAngleIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41940:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41940 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:41940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41940 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolTorsionIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42016:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42016 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42016 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolPairIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42092:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolRingIter(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42166:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolRingIter_inc(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42214:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42214 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42214 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42218:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42218 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42218 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolRingIter_SetType(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42352:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42352 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42352 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42354:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42354 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42354 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42358:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42358 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42358:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42358 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolRingIter_IsMember(PerlInterpreter*, CV*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42407:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42407 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42407 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42409:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42413:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42413 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42413:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42413 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42415:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42415 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/perl/openbabel-perl.cpp:42415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42415 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/isomorphism.h:159: Warning 325: Nested class not currently supported (Functor ignored)
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored).
/builddir/build/BUILD/openbabel-openbabel-2-4-1/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored).
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/cistranstest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/cistranstest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/cistranstest.cpp:144:3: warning: multi-line comment [-Wcomment]
  144 |   //  / \      |   |      /         / \
      |   ^
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/graphsymtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/graphsymtest.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/graphsymtest.cpp:1:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/graphsymtest.cpp: In function 'void countGraphSymClassesTest(const string&, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/graphsymtest.cpp:108:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  108 |   OB_ASSERT( n == numberOfClasses);
      |              ~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/obtest.h:27:6: note: in definition of macro 'OB_ASSERT'
   27 |   ( (exp) ? static_cast<void>(0) : report_error(#exp, __FILE__, __LINE__, FUNCTION_SIGNATURE, false) )
      |      ^~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/graphsymtest.cpp:109:9: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
  109 |   if (n != numberOfClasses) {
      |       ~~^~~~~~~~~~~~~~~~~~
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/gziptest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/gziptest.cpp
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "import sys" > ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "if sys.platform.find('linux') != -1:" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "  try:" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "    import dl" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "  except ImportError:" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "    try:" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "      import DLFCN as dl" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "    except ImportError:" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "      import ctypes as dl" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E echo "  sys.setdlopenflags(sys.getdlopenflags() | dl.RTLD_GLOBAL)" >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && cat /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel.py >> ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E copy ob.py /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E remove ob.py
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake --color=
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_python.dir/depend.internal".
Dependee "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/CMakeFiles/bindings_python.dir/depend.internal".
Scanning dependencies of target bindings_python
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 88%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel-python.cpp.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_python_EXPORTS -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/usr/include/python3.8 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -fPIC   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -o CMakeFiles/bindings_python.dir/python/openbabel-python.cpp.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/implicitHtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/implicitHtest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/lssrtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/lssrtest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vectorInt___setitem__(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:7817:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7817 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:7817:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7817 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:7841:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7841 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:7841:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7841 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorInt(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:7865:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 7865 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:7865:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 7865 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorUnsignedInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8182:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8182 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8182:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8182 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vectorvInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8500:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8500 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8500:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8500 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorvInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8532:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8532 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8532:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8532 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorvInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8557:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8557 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8557:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8557 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vectorDouble___setitem__(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8850:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8850 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8850:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8850 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorDouble__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8874:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 8874 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:8874:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 8874 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorULong__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9215:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9215 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9215:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9215 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vectorString___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9526:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9526 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9526:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9526 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorString__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9558:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9558 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9558:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9558 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorString__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9581:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9581 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9581:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9581 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9907:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
 9907 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:9907:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
 9907 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vectorvVector3___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10246:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10246 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10246:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10246 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorvVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10280:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10280 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10280:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10280 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorvVector3__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10305:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10305 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10305:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10305 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorOBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10630:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10630 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10630:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10630 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorOBBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10979:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
10979 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:10979:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
10979 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorOBResidue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:11331:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11331 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:11331:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11331 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:11680:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
11680 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:11680:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
11680 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorpOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12027:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12027 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12027:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12027 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorpOBGenericData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12385:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12385 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12385:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12385 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vectorpOBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12758:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12758 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12758:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12758 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_pairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12844:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
12844 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:12844:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
12844 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13198:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13198 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13198:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13198 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13231:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13231 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13231:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13231 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13256:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13256 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13256:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13256 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13578:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13578 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13578:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13578 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt_append(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13624:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13624 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13624:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13624 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vvpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13644:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13644 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13644:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13644 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_vvpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13859:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13859 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13859:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13859 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt_push_back(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13893:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13893 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13893:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13893 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt_assign(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13941:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13941 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13941:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13941 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt_resize__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13963:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
13963 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:13963:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
13963 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt_insert__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14004:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14004 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14004 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vvpairUIntUInt_insert__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14035:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14035 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14035:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14035 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGlobalDataBase_SetReadDirectory(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14330:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14330 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14330:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14330 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGlobalDataBase_SetEnvironmentVariable(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14341:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14341 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14341:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14341 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGlobalDataBase_ParseLine(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14352:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14352 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14352:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14352 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBElement__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14408:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14408 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14408:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14408 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBElementTable_GetAtomicNum__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14566:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14566 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14566:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14566 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBElementTable_GetAtomicNum__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14583:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
14583 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:14583:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
14583 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBTypeTable_SetFromType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15053:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15053 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15053:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15053 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBTypeTable_SetToType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15065:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15065 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15065 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBTypeTable_Translate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15080:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15080:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15081:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15081:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBTypeTable_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15100:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15100 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15100:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15100 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBTypeTable_Translate(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15119:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15119 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15119:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15119 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15120:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15120 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15120:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15120 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBResidueData_SetResName(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15170:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBResidueData_LookupBO__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15183:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15183 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15183:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15183 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBResidueData_LookupBO__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15202:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15202 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15202:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15202 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15203:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15203 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15203:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15203 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBResidueData_LookupType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15236:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15236 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15236:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15236 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vector3___iadd__(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15839:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15839 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15839:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15839 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_vector3___isub__(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15859:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
15859 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:15859:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
15859 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap___mul__(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:16248:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16248 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:16248:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16248 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |                             ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:16249:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16249 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:16249:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16249 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_transform3d(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:16930:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
16930 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:16930:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
16930 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_SetHMName__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17042:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17042 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17042:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17042 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_SetHMName__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17054:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17054 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17054:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17054 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_SetHMName(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17058:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17058 |     if (!_v) goto check_1; return _wrap_SpaceGroup_SetHMName__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17058:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17058 |     if (!_v) goto check_1; return _wrap_SpaceGroup_SetHMName__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_SetHallName__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17073:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17073 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17073:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17073 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_SetHallName__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17085:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17085 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17085 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_SetHallName(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17089:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17089 |     if (!_v) goto check_1; return _wrap_SpaceGroup_SetHallName__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17089:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17089 |     if (!_v) goto check_1; return _wrap_SpaceGroup_SetHallName__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_AddTransform(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17118:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17118 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17118:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17118 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17207:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17207 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17207:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17207 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17217:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17217 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17217:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17217 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGenericData_SetAttribute(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17385:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17385 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17385:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17385 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17514:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17514 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17514:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17514 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17527:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17527 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17527:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17527 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17538:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17538 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17538:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17538 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17607:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17607 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17607:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17607 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17616:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17616 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17616:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17616 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17666:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17666 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17666:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17666 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBase_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17678:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17678 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17678:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17678 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBCommentData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17798:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17798 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17798:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17798 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBCommentData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17808:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17808 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17808:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17808 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBCommentData_SetData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17812:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
17812 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:17812:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
17812 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPairData_SetValue__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18029:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18029:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPairData_SetValue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18041:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18041 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18041:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18041 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPairData_SetValue(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18045:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18045 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18045:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18045 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/lssrtest.cpp: In function 'bool verifyLSSR(const string&, const LSSR&)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/lssrtest.cpp:170:8: warning: unused variable 'fail' [-Wunused-variable]
  170 |   bool fail = false;
      |        ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBSetData_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18112:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18112 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18112:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18112 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBSetData_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18125:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18125 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18125:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18125 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBUnitCell_SetSpaceGroup(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18574:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
18574 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:18574:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
18574 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBVibrationData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20250:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20250 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20250 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20251:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20251 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20251:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20251 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBVibrationData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20284:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20284 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20284:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20284 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20285:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20285 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20285:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20285 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20286:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20286 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20286:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20286 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBDOSData_SetData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20399:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20399 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20399:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20399 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20400:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20400 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20400:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20400 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBElectronicTransitionData_SetEDipole(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20786:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20786 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20786:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20786 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20802:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20802 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20802:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20802 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20818:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
20818 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:20818:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
20818 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGridData_GetAxes(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21357:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21357 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21357:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21357 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGridData_SetLimits(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21608:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21608 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21608:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21608 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21611:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21611 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21611:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21611 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBGridData_SetValues(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21650:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
21650 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:21650:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
21650 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CharPtrLess___call__(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22074:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22074 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22074:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22074 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22075:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22075 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22075:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22075 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22141:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22141 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22141:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22141 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22142:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22142 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22142:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22142 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22159:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22159 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22159:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22159 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_MakeInstance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22184:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22184 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22184:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22184 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_GetPlugin(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22204:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22204 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22204:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22204 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22205:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22205 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22205:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22205 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_ListAsVector(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22231:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22231:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22232:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22232 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22232:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22232 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_List__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22265:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22265 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22265:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22265 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_ListAsString__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22286:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22286 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22286:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22286 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22287:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22287 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22287:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22287 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_Begin(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22321:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22321 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22321:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22321 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBPlugin_End(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22330:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22330 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22330:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22330 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22407:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22407 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22407:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22407 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22408:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22408 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22408:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22408 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22409:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22409 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22409:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22409 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22410:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22410 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22410:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22410 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBError__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22442:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22442 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22442:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22442 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22443:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22443 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22443:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22443 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22444:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22444 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22444:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22444 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22445:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22445 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22445:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22445 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22472:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22472 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22472:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22472 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22473:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22473 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22473:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22473 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22474:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22474 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22474:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22474 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22496:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22496 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22496:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22496 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22498:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22498 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22498:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22498 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22514:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22514 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22514:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22514 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22515:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22515 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22515:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22515 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBError__SWIG_5(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22525:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22525 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22525:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22525 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22701:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22701 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22701:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22701 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22702:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22702 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22702:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22702 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22723:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22723 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22723:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22723 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22724:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22724 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22724:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22724 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22742:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22742 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22742:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22742 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22743:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22743 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22743:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22743 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMessageHandler_ThrowError(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22749:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22749 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22749:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22749 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                             ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFormat_FindType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22966:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
22966 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:22966:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
22966 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFormat_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23092:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23092 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23092:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23092 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23093:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23093 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23093:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23093 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFormat_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23104:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23104 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23104:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23104 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFormat_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23134:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23134 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23134:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23134 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23135:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23135 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23135:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23135 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFormat_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23152:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23152 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23152:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23152 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFormat_FormatFromMIME(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23170:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23170 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23170:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23170 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBConversion(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23252:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23252 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23252:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23252 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23284:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23284 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23284:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23284 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23285:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23285 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23285:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23285 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23297:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23297 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23297:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23297 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_FindFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23316:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23316 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23316:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23316 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_FindFormat(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23328:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23328 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23328:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23328 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_FormatFromExt__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23342:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23342 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23342:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23342 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_FormatFromExt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23356:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23356 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23356:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23356 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_FormatFromExt(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23381:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23381 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23381:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23381 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_FormatFromMIME(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23402:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23402 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23402:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23402 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23511:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23511 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23511:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23511 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23512:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23512 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23512:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23512 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23529:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23529 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23529:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23529 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23530:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23530 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23530:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23530 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23545:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23545 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23545:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23545 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23546:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23546 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23546:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23546 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInAndOutFormats(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23606:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23606 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23606:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23606 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23610:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23610 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23610:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23610 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23617:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23617 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23617:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23617 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23643:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23643:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23655:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23655 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23655:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23655 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetInFormat(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23688:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23688 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23688:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23688 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetOutFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23710:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23710 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23710:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23710 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetOutFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23722:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23722 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23722:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23722 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetOutFormat(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23755:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23755 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23755:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23755 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_IsOption__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23871:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23871:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_IsOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23883:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23883:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_AddOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23939:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23939 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23939:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23939 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_AddOption__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23949:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23949 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23949:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23949 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_RemoveOption(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23977:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23977 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23977:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23977 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConversion_SetOptions(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23992:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
23992 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:23992:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
23992 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBResidue_SetName(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:24606:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24606 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:24606:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24606 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBResidue_SetAtomID(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:24693:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
24693 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:24693:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
24693 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAtom_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:25423:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25423 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:25423:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25423 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAtom_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:25435:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25435 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:25435:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25435 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAtom_GetDistance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:25998:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
25998 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:25998:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
25998 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:26000:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26000 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:26000:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26000 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAtom_GetAngle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:26037:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26037 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:26037:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26037 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAtom_MatchesSMARTS(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:26654:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
26654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:26654:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
26654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBReaction_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:27445:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27445 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:27445:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27445 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBReaction_SetComment(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:27458:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
27458 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:27458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
27458 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMol_GetBond(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28154:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28154 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28154:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28154 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMol_GetTorsion(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28222:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28222 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28222:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28222 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28225:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28225 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28225:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28225 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMol_SetTitle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28458:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28458:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMol_Rotate(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28898:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
28898 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:28898:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
28898 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMol_AddHydrogens(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29041:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29041 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29041:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29041 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMol_SetTorsion(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29900:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29900 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29900:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29900 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29903:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29903 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29903:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29903 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_ThrowError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29929:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
29929 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:29929:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
29929 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBRing_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30266:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30266 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30266:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30266 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBRing_IsMember(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30327:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30327 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30327:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30327 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBSmartsPattern_Init__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30614:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30614 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30614:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30614 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBSmartsPattern_Init__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30627:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30627 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30627:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30627 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBSmartsPattern_Init(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30631:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
30631 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:30631:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
30631 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_AliasData_SetAlias__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31219:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31219 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31219:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31219 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_AliasData_SetAlias__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31229:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31229 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31229:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31229 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFingerprint_FindType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31429:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31429 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31429:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31429 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFingerprint_GetBit(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31474:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31474 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31474:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31474 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31616:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31616 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31616:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31616 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31617:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31617 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31617:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31617 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31632:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31632 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31632:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31632 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBFingerprint_FindFingerprint(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31657:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
31657 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31657:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
31657 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FptIndexHeader_fpid_set(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31729:3: warning: this 'else' clause does not guard... [-Wmisleading-indentation]
31729 |   else memset(arg1->fpid,0,16*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31729:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'else'
31729 |   else memset(arg1->fpid,0,16*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                              ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FptIndexHeader_datafilename_set(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31748:3: warning: this 'else' clause does not guard... [-Wmisleading-indentation]
31748 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:31748:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'else'
31748 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                                       ^~~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_FastSearchIndexer(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32081:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32081 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32081:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32081 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBDescriptor__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32146:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32146 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32146:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32146 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBDescriptor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32154:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32154 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32154:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32154 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBDescriptor_FindType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32172:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32172 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32172:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32172 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBDescriptor_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32359:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32359 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32359:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32359 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32360:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32360 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32360:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32360 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBDescriptor_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32377:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32377 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32377:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32377 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBDescriptor_AddProperties(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32450:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32450 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32450:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32450 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBDescriptor_DeleteProperties(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32463:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
32463 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:32463:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
32463 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_FindType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33865:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33865 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33865:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33865 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_FindForceField__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33891:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33891 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33891:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33891 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_FindForceField__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33900:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33900 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33900:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33900 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_FindForceField(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33904:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33904 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33904 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_SetParameterFile(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33922:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
33922 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:33922:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
33922 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_GetGrid(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:34153:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34153 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:34153:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34153 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_OBFFLog__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:34604:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34604 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:34604:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34604 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_OBFFLog(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:34608:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
34608 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:34608:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
34608 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBForceField_LineSearch(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:35053:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
35053 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:35053:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
35053 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBuilder_Connect(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36210:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36210 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36210:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36210 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBOp_FindType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36341:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36341 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36341:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36341 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBOp_Do__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36365:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36365 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36365:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36365 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBOp_Do__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36385:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36385 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36385:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36385 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBOp_Do__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36400:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36400 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36400:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36400 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBChargeModel__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36503:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36503 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36503:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36503 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBChargeModel__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36512:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36512 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36512:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36512 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBChargeModel_FindType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36530:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36530 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36530:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36530 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBChargeModel_ComputeCharges__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36559:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36559 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36559:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36559 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBChemTsfm_Init(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36650:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36650 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36650:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36650 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36651:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36651 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36651:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36651 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBIsomorphismMapper_GetInstance__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36862:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
36862 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:36862:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
36862 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_MapsTo(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37159:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37159 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37159:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37159 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindAutomorphisms__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37193:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37193 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37193 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindAutomorphisms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37224:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37224 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37224:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37224 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindAutomorphisms__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37249:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37249 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37249:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37249 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindAutomorphisms__SWIG_6(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37339:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37339 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37339:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37339 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindAutomorphisms__SWIG_7(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37360:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37360 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37360:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37360 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindAutomorphisms(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37366:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37366 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37366:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37366 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37379:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37379 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37379:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37379 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37389:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37389 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37389:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37389 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CompileSmilesQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37773:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37773 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37773:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37773 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CompileSmilesQuery__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37783:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37783 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37783:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37783 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CanonicalLabels__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37826:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37826 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37826:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37826 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CanonicalLabels__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37858:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37858 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37858:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37858 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CanonicalLabels__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37887:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37887 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37887:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37887 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_CanonicalLabels__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37910:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37910 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37910:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37910 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBStereo_ContainsSameRefs(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37989:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37989 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37989:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37989 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37990:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
37990 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:37990:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
37990 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBStereo_ContainsRef(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38004:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38004 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38004 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBStereo_NumInversions(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38016:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38016 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38016:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38016 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBStereo_Permutated(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38049:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38049 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38049:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38049 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindStereogenicUnits__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38880:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38880 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38880:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38880 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_FindStereogenicUnits__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38904:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38904 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38904:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38904 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38905:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
38905 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:38905:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
38905 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBitVec_FromVecInt(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:39141:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39141 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:39141:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39141 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBBitVec_FromString(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:39156:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39156 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:39156:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39156 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBRotorRule(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:39348:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
39348 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:39348:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
39348 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBRotamerList_AddRotamer(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:40550:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40550 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:40550:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40550 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:40552:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40552 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:40552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40552 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConformerFilter_IsGood(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:40961:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
40961 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:40961:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
40961 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBConformerScore_Score(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41129:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41129 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41129:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41129 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBAlign__SWIG_6(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41787:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41787 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41787:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41787 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41788:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41788 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41788:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41788 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBAlign(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41795:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41795 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41795:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41795 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41798:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41798 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41798:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41798 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |                            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAlign_SetRef(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41826:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41826 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41826:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41826 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBAlign_SetTarget(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41840:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41840 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41840:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41840 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolAtomIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41967:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
41967 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:41967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
41967 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42186:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42186 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42186:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42186 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42198:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42198 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42198:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42198 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_SetType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42202:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42202 |     if (!_v) goto check_1; return _wrap__OBMolAtomIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42202:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42202 |     if (!_v) goto check_1; return _wrap__OBMolAtomIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_GetDistance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42758:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42758 |     if (!_v) goto check_2; return _wrap__OBMolAtomIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42758:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42758 |     if (!_v) goto check_2; return _wrap__OBMolAtomIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_GetAngle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42798:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
42798 |     if (!_v) goto check_1; return _wrap__OBMolAtomIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:42798:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
42798 |     if (!_v) goto check_1; return _wrap__OBMolAtomIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/isomorphismtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/isomorphismtest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_MatchesSMARTS(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43413:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43413 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43413:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43413 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43484:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43484 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43484:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43484 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43497:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43497 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43497:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43497 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43509:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43509 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43509:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43509 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43578:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43578 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43578:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43578 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43587:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43587 |     if (!_v) goto check_3; return _wrap__OBMolAtomIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43587 |     if (!_v) goto check_3; return _wrap__OBMolAtomIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43639:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43639 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43639:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43639 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43651:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43651 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43651:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43651 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolAtomDFSIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43771:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
43771 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:43771:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
43771 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44002:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44002 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44002:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44002 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44014:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44014 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44014:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44014 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_SetType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44018:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44018 |     if (!_v) goto check_1; return _wrap__OBMolAtomDFSIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44018:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44018 |     if (!_v) goto check_1; return _wrap__OBMolAtomDFSIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_GetDistance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44580:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44580 |     if (!_v) goto check_2; return _wrap__OBMolAtomDFSIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44580 |     if (!_v) goto check_2; return _wrap__OBMolAtomDFSIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_GetAngle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44620:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
44620 |     if (!_v) goto check_1; return _wrap__OBMolAtomDFSIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:44620:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
44620 |     if (!_v) goto check_1; return _wrap__OBMolAtomDFSIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_MatchesSMARTS(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45240:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45240 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45240:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45240 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45311:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45311 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45311:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45311 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45324:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45324 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45324:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45324 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45336:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45336 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45336:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45336 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45405:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45405 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45405:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45405 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45410:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45410 |     if (!_v) goto check_1; return _wrap__OBMolAtomDFSIter_DeleteData__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45410:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45410 |     if (!_v) goto check_1; return _wrap__OBMolAtomDFSIter_DeleteData__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45415:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45415 |     if (!_v) goto check_3; return _wrap__OBMolAtomDFSIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45415:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45415 |     if (!_v) goto check_3; return _wrap__OBMolAtomDFSIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45467:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45467 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45467:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45467 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomDFSIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45479:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45479 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45479:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45479 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolAtomBFSIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45599:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45599 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45599:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45599 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45830:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45830 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45830:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45830 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45842:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45842 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45842:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45842 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_SetType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45846:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
45846 |     if (!_v) goto check_1; return _wrap__OBMolAtomBFSIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:45846:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
45846 |     if (!_v) goto check_1; return _wrap__OBMolAtomBFSIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_GetDistance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:46408:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46408 |     if (!_v) goto check_2; return _wrap__OBMolAtomBFSIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:46408:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46408 |     if (!_v) goto check_2; return _wrap__OBMolAtomBFSIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_GetAngle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:46448:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
46448 |     if (!_v) goto check_1; return _wrap__OBMolAtomBFSIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:46448:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
46448 |     if (!_v) goto check_1; return _wrap__OBMolAtomBFSIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/isomorphismtest.cpp:112:3: warning: multi-line comment [-Wcomment]
  112 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/isomorphismtest.cpp:163:3: warning: multi-line comment [-Wcomment]
  163 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/isomorphismtest.cpp:185:3: warning: multi-line comment [-Wcomment]
  185 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_MatchesSMARTS(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47068:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47068 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47068:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47068 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47139:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47139 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47139:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47139 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47152:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47152 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47152:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47152 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47164:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47164 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47164:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47164 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47233:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47233 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47233:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47233 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47238:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47238 |     if (!_v) goto check_1; return _wrap__OBMolAtomBFSIter_DeleteData__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47238:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47238 |     if (!_v) goto check_1; return _wrap__OBMolAtomBFSIter_DeleteData__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47243:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47243 |     if (!_v) goto check_3; return _wrap__OBMolAtomBFSIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47243:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47243 |     if (!_v) goto check_3; return _wrap__OBMolAtomBFSIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47295:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47295:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolAtomBFSIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47307:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47307:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new_OBMolBondBFSIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47427:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
47427 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:47427:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
47427 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48200:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48200 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48200:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48200 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48213:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48213 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48213:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48213 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48225:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48225:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48294:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48294 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48294:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48294 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48299:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48299 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_DeleteData__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48299:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48299 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_DeleteData__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48304:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48304 |     if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48304:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48304 |     if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48356:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48356 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48356:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48356 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_OBMolBondBFSIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48368:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48368 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48368:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48368 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolBondIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48478:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
48478 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:48478:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
48478 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49237:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49237:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49250:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49262:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49262 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49262:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49262 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49331:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49331 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49331:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49331 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49340:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49340 |     if (!_v) goto check_3; return _wrap__OBMolBondIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49340:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49340 |     if (!_v) goto check_3; return _wrap__OBMolBondIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49392:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49392 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49392:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49392 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolBondIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49404:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49404:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBAtomAtomIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49514:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49514 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49514:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49514 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49733:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49733 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49733:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49733 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49745:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49745 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49745:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49745 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_SetType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49749:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
49749 |     if (!_v) goto check_1; return _wrap__OBAtomAtomIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:49749:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
49749 |     if (!_v) goto check_1; return _wrap__OBAtomAtomIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_GetDistance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:50306:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50306 |     if (!_v) goto check_2; return _wrap__OBAtomAtomIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:50306:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50306 |     if (!_v) goto check_2; return _wrap__OBAtomAtomIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_GetAngle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:50346:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50346 |     if (!_v) goto check_1; return _wrap__OBAtomAtomIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:50346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50346 |     if (!_v) goto check_1; return _wrap__OBAtomAtomIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_MatchesSMARTS(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:50962:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
50962 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:50962:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
50962 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51033:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51033 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51033:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51033 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51046:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51046 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51046:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51046 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51058:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51058 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51058:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51058 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51127:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51127 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51127:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51127 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51136:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51136 |     if (!_v) goto check_3; return _wrap__OBAtomAtomIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51136:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51136 |     if (!_v) goto check_3; return _wrap__OBAtomAtomIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51188:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51188 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51188:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51188 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomAtomIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51200:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51200 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51200:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51200 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBAtomBondIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51310:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
51310 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:51310:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
51310 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52069:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52069 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52069:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52069 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52082:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52082 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52082 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52094:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52094 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52094:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52094 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52163:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52163 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52163:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52163 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52172:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52172 |     if (!_v) goto check_3; return _wrap__OBAtomBondIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52172:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52172 |     if (!_v) goto check_3; return _wrap__OBAtomBondIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52224:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52224 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52224:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52224 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBAtomBondIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52236:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52236 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52236:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52236 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBResidueIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52346:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52346 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52346 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_SetName(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52460:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52460 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52460:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52460 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_SetAtomID(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52548:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52548 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52548:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52548 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52884:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52884 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52884:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52884 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52897:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52897 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52897 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52909:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52909:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52978:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52978 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52978:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52978 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52987:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
52987 |     if (!_v) goto check_3; return _wrap__OBResidueIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:52987:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
52987 |     if (!_v) goto check_3; return _wrap__OBResidueIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53039:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53039 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53039:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53039 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53051:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53051 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53051:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53051 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBResidueAtomIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53161:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53161 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53161:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53161 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53382:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53382 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53382:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53382 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53394:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53394 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53394:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53394 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_SetType(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53398:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53398 |     if (!_v) goto check_1; return _wrap__OBResidueAtomIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53398:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53398 |     if (!_v) goto check_1; return _wrap__OBResidueAtomIter_SetType__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_GetDistance(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53963:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
53963 |     if (!_v) goto check_2; return _wrap__OBResidueAtomIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:53963:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
53963 |     if (!_v) goto check_2; return _wrap__OBResidueAtomIter_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_GetAngle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54003:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54003 |     if (!_v) goto check_1; return _wrap__OBResidueAtomIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54003:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54003 |     if (!_v) goto check_1; return _wrap__OBResidueAtomIter_GetAngle__SWIG_1(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_MatchesSMARTS(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54624:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54624 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54624:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54624 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_SetTitle(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54695:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54695 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54695:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54695 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54708:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54708 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54708:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54708 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54720:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54720 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54720:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54720 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54789:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54789 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54789:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54789 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_DeleteData(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54799:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54799 |      if (!_v) goto check_3; return _wrap__OBResidueAtomIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54799:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54799 |      if (!_v) goto check_3; return _wrap__OBResidueAtomIter_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54851:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54851 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54851:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54851 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBResidueAtomIter_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54863:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54863 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54863:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54863 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolAngleIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54973:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
54973 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:54973:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
54973 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolTorsionIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55054:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
55054 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55054:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
55054 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolPairIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55137:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
55137 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
55137 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap_new__OBMolRingIter(PyObject*, PyObject*)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55218:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
55218 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55218:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
55218 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp: In function 'PyObject* _wrap__OBMolRingIter_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55379:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation]
55379 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python/openbabel-python.cpp:55379:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if'
55379 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/multicmltest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/multicmltest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/regressionstest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/regressionstest.cpp
In file included from /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/regressionstest.cpp:1:
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/obtest.h: In instantiation of 'void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/regressionstest.cpp:102:3:   required from here
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/rotortest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/rotortest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/shuffletest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/shuffletest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/smilestest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/smilestest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/spectrophoretest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/spectrophoretest.cpp
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/squareplanartest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/squareplanartest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/squareplanartest.cpp:56:3: warning: multi-line comment [-Wcomment]
   56 |   //  / \      |   |     |/  |      / \
      |   ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/squareplanartest.cpp:99:3: warning: multi-line comment [-Wcomment]
   99 |   //  / \      |   |     |/  |      / \
      |   ^
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/stereotest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp: In function 'bool doStereoPerception(OpenBabel::OBMol&, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:100:12: warning: enumeration value 'ExtendedCisTrans' not handled in switch [-Wswitch]
  100 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:100:12: warning: enumeration value 'SquarePlanar' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:100:12: warning: enumeration value 'ExtendedTetrahedral' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:100:12: warning: enumeration value 'TrigonalBipyramidal' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:100:12: warning: enumeration value 'Octahedral' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp: In function 'bool doStereoPerception2(OpenBabel::OBMol&, int, int)':
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:130:12: warning: enumeration value 'ExtendedCisTrans' not handled in switch [-Wswitch]
  130 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:130:12: warning: enumeration value 'SquarePlanar' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:130:12: warning: enumeration value 'ExtendedTetrahedral' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:130:12: warning: enumeration value 'TrigonalBipyramidal' not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereotest.cpp:130:12: warning: enumeration value 'Octahedral' not handled in switch [-Wswitch]
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/stereoperceptiontest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:255:5: warning: multi-line comment [-Wcomment]
  255 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:270:5: warning: multi-line comment [-Wcomment]
  270 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:285:5: warning: multi-line comment [-Wcomment]
  285 |     //         \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:287:5: warning: multi-line comment [-Wcomment]
  287 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:310:5: warning: multi-line comment [-Wcomment]
  310 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:329:5: warning: multi-line comment [-Wcomment]
  329 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:339:5: warning: multi-line comment [-Wcomment]
  339 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:349:5: warning: multi-line comment [-Wcomment]
  349 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:366:5: warning: multi-line comment [-Wcomment]
  366 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:377:5: warning: multi-line comment [-Wcomment]
  377 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:390:5: warning: multi-line comment [-Wcomment]
  390 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:401:5: warning: multi-line comment [-Wcomment]
  401 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:432:5: warning: multi-line comment [-Wcomment]
  432 |     //   \
      |     ^
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/stereoperceptiontest.cpp:434:5: warning: multi-line comment [-Wcomment]
  434 |     //        \
      |     ^
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/tautomertest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/tautomertest.cpp
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/tetrahedraltest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/tetrahedraltest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/tetranonplanartest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/tetranonplanartest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/tetranonplanartest.cpp:22:1: warning: multi-line comment [-Wcomment]
   22 | //         \
      | ^
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/tetraplanartest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/tetraplanartest.cpp
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/tetraplanartest.cpp:11:1: warning: multi-line comment [-Wcomment]
   11 | //         \
      | ^
[ 92%] Linking CXX shared module ../lib64/openbabel.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_ruby.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/openbabel.so CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o  -lruby ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/uniqueidtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/uniqueidtest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/aromatest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/aromatest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/atom.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/atom.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/atom.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/bond.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/bond.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/bond.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/cansmi.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/cansmi.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/charge_mmff94.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/charge_mmff94.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/charge_gasteiger.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/charge_gasteiger.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/conversion.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/conversion.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/datatest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/datatest.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/ffgaff.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/ffgaff.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/ffghemical.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/ffghemical.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/ffmmff94.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/ffmmff94.cpp
[ 94%] Linking CXX shared module ../lib64/OpenBabel.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_perl.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/OpenBabel.so CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o  -lperl ../lib64/libopenbabel.so.5.0.0 -lpthread -lresolv -ldl -lm -lcrypt -lutil -lc -lm -ldl -lz 
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/ffuff.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/ffuff.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/formalcharge.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/formalcharge.cpp
[ 96%] Linking CXX shared module ../lib64/_openbabel.so
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared  -o ../lib64/_openbabel.so CMakeFiles/bindings_python.dir/python/openbabel-python.cpp.o  -lpython3.8 ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/format.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/format.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/format.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/formula.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/formula.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/internalcoord.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/internalcoord.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 96%] Built target bindings_ruby
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/invalidsmarts.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/invalidsmarts.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/invalidsmiles.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/invalidsmiles.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/iterators.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/iterators.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/logp_psa.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/logp_psa.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/math.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/math.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/mol.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/mol.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/phmodel.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/phmodel.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/residue.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/residue.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/ringtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/ringtest.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/smartstest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/smartstest.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/smartsparse.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/smartsparse.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/smilesmatch.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/smilesmatch.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/unitcell.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/unitcell.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/cmlreadfile.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/cmlreadfile.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.o
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/c++  -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/include -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/data -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g   -DOB_MODULE_PATH="\"/usr/lib64/openbabel\"" -DTESTDATADIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/files/\"" -DFORMATDIR="\"/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64//\"" -DTESTDIR=/builddir/build/BUILD/openbabel-openbabel-2-4-1/test -o CMakeFiles/test_runner.dir/obtest.o -c /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/obtest.cpp
[100%] Linking CXX executable ../bin/test_runner
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1
/usr/bin/c++  -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -O2 -g -DNDEBUG -O2 -g  -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/test_runner.dir/test_runner.o CMakeFiles/test_runner.dir/aligntest.o CMakeFiles/test_runner.dir/automorphismtest.o CMakeFiles/test_runner.dir/buildertest.o CMakeFiles/test_runner.dir/canonconsistenttest.o CMakeFiles/test_runner.dir/canonstabletest.o CMakeFiles/test_runner.dir/carspacegrouptest.o CMakeFiles/test_runner.dir/cifspacegrouptest.o CMakeFiles/test_runner.dir/cistranstest.o CMakeFiles/test_runner.dir/graphsymtest.o CMakeFiles/test_runner.dir/gziptest.o CMakeFiles/test_runner.dir/implicitHtest.o CMakeFiles/test_runner.dir/lssrtest.o CMakeFiles/test_runner.dir/isomorphismtest.o CMakeFiles/test_runner.dir/multicmltest.o CMakeFiles/test_runner.dir/regressionstest.o CMakeFiles/test_runner.dir/rotortest.o CMakeFiles/test_runner.dir/shuffletest.o CMakeFiles/test_runner.dir/smilestest.o CMakeFiles/test_runner.dir/spectrophoretest.o CMakeFiles/test_runner.dir/squareplanartest.o CMakeFiles/test_runner.dir/stereotest.o CMakeFiles/test_runner.dir/stereoperceptiontest.o CMakeFiles/test_runner.dir/tautomertest.o CMakeFiles/test_runner.dir/tetrahedraltest.o CMakeFiles/test_runner.dir/tetranonplanartest.o CMakeFiles/test_runner.dir/tetraplanartest.o CMakeFiles/test_runner.dir/uniqueidtest.o CMakeFiles/test_runner.dir/aromatest.o CMakeFiles/test_runner.dir/atom.o CMakeFiles/test_runner.dir/bond.o CMakeFiles/test_runner.dir/cansmi.o CMakeFiles/test_runner.dir/charge_mmff94.o CMakeFiles/test_runner.dir/charge_gasteiger.o CMakeFiles/test_runner.dir/conversion.o CMakeFiles/test_runner.dir/datatest.o CMakeFiles/test_runner.dir/ffgaff.o CMakeFiles/test_runner.dir/ffghemical.o CMakeFiles/test_runner.dir/ffmmff94.o CMakeFiles/test_runner.dir/ffuff.o CMakeFiles/test_runner.dir/formalcharge.o CMakeFiles/test_runner.dir/format.o CMakeFiles/test_runner.dir/formula.o CMakeFiles/test_runner.dir/internalcoord.o CMakeFiles/test_runner.dir/invalidsmarts.o CMakeFiles/test_runner.dir/invalidsmiles.o CMakeFiles/test_runner.dir/iterators.o CMakeFiles/test_runner.dir/logp_psa.o CMakeFiles/test_runner.dir/math.o CMakeFiles/test_runner.dir/mol.o CMakeFiles/test_runner.dir/phmodel.o CMakeFiles/test_runner.dir/residue.o CMakeFiles/test_runner.dir/ringtest.o CMakeFiles/test_runner.dir/smartstest.o CMakeFiles/test_runner.dir/smartsparse.o CMakeFiles/test_runner.dir/smilesmatch.o CMakeFiles/test_runner.dir/unitcell.o CMakeFiles/test_runner.dir/cmlreadfile.o CMakeFiles/test_runner.dir/obtest.o  -o ../bin/test_runner  ../lib64/libopenbabel.so.5.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[100%] Built target test_runner
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[100%] Built target bindings_python
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[100%] Built target bindings_perl
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-openbabel-2-4-1/CMakeFiles 0
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.F0Efhn
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64
++ dirname /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64
+ cd openbabel-openbabel-2-4-1
+ make VERBOSE=1 DESTDIR=/builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64 install
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-openbabel-2-4-1 -B/builddir/build/BUILD/openbabel-openbabel-2-4-1 --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-openbabel-2-4-1/CMakeFiles /builddir/build/BUILD/openbabel-openbabel-2-4-1/CMakeFiles/progress.marks
make -f CMakeFiles/Makefile2 all
make[1]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/CMakeFiles/openbabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 14%] Built target openbabel
make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_charges.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 16%] Built target plugin_charges
make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 22%] Built target plugin_ops
make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 23%] Built target plugin_forcefields
make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_fingerprints.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 24%] Built target plugin_fingerprints
make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_descriptors.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 25%] Built target plugin_descriptors
make -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchemjsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 26%] Built target pubchemjsonformat
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 27%] Built target cmlreactformat
make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 28%] Built target cmlformat
make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 28%] Built target cdxmlformat
make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 28%] Built target png2format
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 29%] Built target rsmiformat
make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 30%] Built target chemdrawcdx
make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 30%] Built target yasaraformat
make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 30%] Built target xedformat
make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 31%] Built target viewmolformat
make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 31%] Built target unichemformat
make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 32%] Built target shelxformat
make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 32%] Built target pointcloudformat
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 32%] Built target msiformat
make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 33%] Built target mpqcformat
make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 34%] Built target mmcifformat
make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 34%] Built target pdbqtformat
make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 34%] Built target lpmdformat
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 35%] Built target msmsformat
make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 36%] Built target lmpdatformat
make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 37%] Built target ghemicalformat
make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target smileyformat
make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target groformat
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 38%] Built target freefracformat
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 39%] Built target fpsformat
make -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdoodlejsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 39%] Built target chemdoodlejsonformat
make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 39%] Built target fhformat
make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 39%] Built target fingerprintformat
make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 39%] Built target featformat
make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 39%] Built target gromos96format
make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Built target fastaformat
make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Built target fastsearchformat
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 40%] Built target exyzformat
make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 41%] Built target dlpolyformat
make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 42%] Built target cssrformat
make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 42%] Built target cifformat
make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 42%] Built target chemtoolformat
make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 42%] Built target chemdrawct
make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 42%] Built target pcmodelformat
make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 43%] Built target cccformat
make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 44%] Built target carformat
make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 45%] Built target fhiaimsformat
make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 46%] Built target pubchem
make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 46%] Built target APIInterface
make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 47%] Built target tinkerformat
make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 47%] Built target abinitformat
make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smilesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 47%] Built target smilesformat
make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 48%] Built target xmlformat
make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 49%] Built target chemkinformat
make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 49%] Built target daltonformat
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 50%] Built target svgformat
make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 50%] Built target gamessukformat
make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 50%] Built target thermoformat
make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 51%] Built target turbomoleformat
make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 52%] Built target gamessformat
make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 53%] Built target PQSformat
make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 53%] Built target mdlformat
make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 54%] Built target pngformat
make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 55%] Built target asciiformat
make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 56%] Built target boxformat
make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Built target copyformat
make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Built target MNAformat
make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 57%] Built target aoforceformat
make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/inchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 58%] Built target inchiformat
make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 59%] Built target pdbformat
make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 60%] Built target povrayformat
make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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[ 60%] Built target nwchemformat
make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target molreport
make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target stlformat
make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target pqrformat
make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target textformat
make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target nulformat
make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target outformat
make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 61%] Built target adfformat
make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 62%] Built target chem3dformat
make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 63%] Built target painterformat
make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 63%] Built target confabreport
make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 63%] Built target reportformat
make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 63%] Built target posformat
make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 64%] Built target gulpformat
make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 65%] Built target pwscfformat
make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 65%] Built target rxnformat
make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target alchemyformat
make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target castepformat
make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target gausszmatformat
make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target mpdformat
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target hinformat
make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mol2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target mol2format
make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 66%] Built target jaguarformat
make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 67%] Built target xyzformat
make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 67%] Built target mopacformat
make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target moldenformat
make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target CSRformat
make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target acesformat
make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target titleformat
make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target amberformat
make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target mmodformat
make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 68%] Built target crkformat
make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 69%] Built target fchkformat
make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target qchemformat
make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target gausscubeformat
make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target siestaformat
make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target vaspformat
make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 70%] Built target cacheformat
make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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[ 70%] Built target xsfformat
make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 71%] Built target zindoformat
make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 71%] Built target opendxformat
make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 72%] Built target orcaformat
make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 72%] Built target molproformat
make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 74%] Built target balstformat
make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 75%] Built target acrformat
make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 76%] Built target mdffformat
make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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[ 76%] Built target dmolformat
make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
[ 76%] Built target bgfformat
make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
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make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obgrep.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
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[ 77%] Built target obgrep
make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build
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[ 77%] Built target obspectrophore
make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obrms.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
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make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obthermo.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build
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[ 78%] Built target obthermo
make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
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make -f tools/CMakeFiles/babel.dir/build.make tools/CMakeFiles/babel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/babel.dir/DependInfo.cmake --color=
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[ 78%] Built target babel
make -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obabel.dir/DependInfo.cmake --color=
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[ 80%] Built target obabel
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obminimize.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obchiral.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obrotate.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obenergy.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obfit.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obprobe.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obgen.dir/DependInfo.cmake --color=
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make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obprop.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obconformer.dir/DependInfo.cmake --color=
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[ 83%] Built target obconformer
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools /builddir/build/BUILD/openbabel-openbabel-2-4-1/tools/CMakeFiles/obsym.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI /builddir/build/BUILD/openbabel-openbabel-2-4-1/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake --color=
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-openbabel-2-4-1'
cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color=
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cd /builddir/build/BUILD/openbabel-openbabel-2-4-1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1 /builddir/build/BUILD/openbabel-openbabel-2-4-1/test /builddir/build/BUILD/openbabel-openbabel-2-4-1/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
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[ 98%] Built target bindings_ruby
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Install the project...
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-- Installing: /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/perl5/vendor_perl/Chemistry/OpenBabel.pm
-- Installing: /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/ruby/vendor_ruby/openbabel.so
+ rm /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/cmake/openbabel2/OpenBabel2Config.cmake /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/cmake/openbabel2/OpenBabel2ConfigVersion.cmake /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/cmake/openbabel2/OpenBabel2_EXPORTS-relwithdebinfo.cmake /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/cmake/openbabel2/OpenBabel2_EXPORTS.cmake
+ desktop-file-install --dir=/builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/share/applications /builddir/build/SOURCES/obgui.desktop
+ install -Dpm644 babel.png /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/share/pixmaps/babel.png
+ /usr/lib/rpm/find-debuginfo.sh -j4 --strict-build-id -m -i --build-id-seed 2.4.1-28.fc33 --unique-debug-suffix -2.4.1-28.fc33.riscv64 --unique-debug-src-base openbabel-2.4.1-28.fc33.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/openbabel-openbabel-2-4-1
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extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/xmlformat.so
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extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/xsfformat.so
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/xyzformat.so
extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/xyzformat.so
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/yasaraformat.so
extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/yasaraformat.so
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/zindoformat.so
extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/openbabel/zindoformat.so
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/python3.8/site-packages/_openbabel.so
extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/python3.8/site-packages/_openbabel.so
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/ruby/vendor_ruby/openbabel.so
extracting debug info from /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/ruby/vendor_ruby/openbabel.so
original debug info size: 266816kB, size after compression: 202308kB
/usr/lib/rpm/sepdebugcrcfix: Updated 148 CRC32s, 0 CRC32s did match.
44457 blocks
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/redhat/brp-python-bytecompile /usr/bin/python 1 0
Bytecompiling .py files below /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib/debug/usr/lib64/python3.8 using /usr/bin/python3.8
Bytecompiling .py files below /builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/python3.8 using /usr/bin/python3.8
+ /usr/lib/rpm/brp-python-hardlink
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.Ecw93m
+ umask 022
+ cd /builddir/build/BUILD
+ cd openbabel-openbabel-2-4-1
+ rm lib64/openbabel.so
+ export CTEST_OUTPUT_ON_FAILURE=1 PYTHONPATH=/builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/python3.8/site-packages
+ CTEST_OUTPUT_ON_FAILURE=1
+ PYTHONPATH=/builddir/build/BUILDROOT/openbabel-2.4.1-28.fc33.riscv64/usr/lib64/python3.8/site-packages
+ /usr/bin/make -O -j4 V=1 VERBOSE=1 test
Running tests...
/usr/bin/ctest --force-new-ctest-process 
Test project /builddir/build/BUILD/openbabel-openbabel-2-4-1
        Start   1: test_align_1
  1/160 Test   #1: test_align_1 .....................   Passed    0.19 sec
        Start   2: test_align_2
  2/160 Test   #2: test_align_2 .....................   Passed    0.14 sec
        Start   3: test_align_3
  3/160 Test   #3: test_align_3 .....................   Passed    0.13 sec
        Start   4: test_align_4
  4/160 Test   #4: test_align_4 .....................   Passed    1.50 sec
        Start   5: test_align_5
  5/160 Test   #5: test_align_5 .....................   Passed    1.20 sec
        Start   6: test_automorphism_1
  6/160 Test   #6: test_automorphism_1 ..............   Passed    1.13 sec
        Start   7: test_automorphism_2
  7/160 Test   #7: test_automorphism_2 ..............   Passed    1.08 sec
        Start   8: test_automorphism_3
  8/160 Test   #8: test_automorphism_3 ..............   Passed    1.15 sec
        Start   9: test_automorphism_4
  9/160 Test   #9: test_automorphism_4 ..............   Passed    1.11 sec
        Start  10: test_automorphism_5
 10/160 Test  #10: test_automorphism_5 ..............   Passed    1.11 sec
        Start  11: test_automorphism_6
 11/160 Test  #11: test_automorphism_6 ..............   Passed    1.13 sec
        Start  12: test_automorphism_7
 12/160 Test  #12: test_automorphism_7 ..............   Passed    1.14 sec
        Start  13: test_automorphism_8
 13/160 Test  #13: test_automorphism_8 ..............   Passed    1.14 sec
        Start  14: test_automorphism_9
 14/160 Test  #14: test_automorphism_9 ..............   Passed    1.20 sec
        Start  15: test_automorphism_10
 15/160 Test  #15: test_automorphism_10 .............   Passed    1.20 sec
        Start  16: test_builder_1
 16/160 Test  #16: test_builder_1 ...................   Passed  155.40 sec
        Start  17: test_builder_2
 17/160 Test  #17: test_builder_2 ...................   Passed   25.83 sec
        Start  18: test_builder_3
 18/160 Test  #18: test_builder_3 ...................   Passed    4.00 sec
        Start  19: test_builder_4
 19/160 Test  #19: test_builder_4 ...................   Passed    3.09 sec
        Start  20: test_builder_5
 20/160 Test  #20: test_builder_5 ...................   Passed    3.03 sec
        Start  21: test_canonconsistent_1
 21/160 Test  #21: test_canonconsistent_1 ...........   Passed   13.61 sec
        Start  22: test_canonconsistent_2
 22/160 Test  #22: test_canonconsistent_2 ...........   Passed    1.31 sec
        Start  23: test_canonconsistent_3
 23/160 Test  #23: test_canonconsistent_3 ...........   Passed    2.16 sec
        Start  24: test_canonstable_1
 24/160 Test  #24: test_canonstable_1 ...............***Failed  Error regular expression found in output. Regex=[FAIL]309.37 sec
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
ref = C1CCCNC1.CC1=[O+][Eu+3]234([O+]=C([C-]1c1ccccc1)C)([O+]=C(C)[C-](C(=[O+]2)C)c1ccccc1)([O+]=C(C)[C-](C(=[O+]3)C)c1ccccc1)[O+]=C(C)[C-](C(=[O+]4)C)c1ccccc1
can = C1CCCNC1.CC1=[O+][Eu+3]234([O+]=C([C-]1c1ccccc1)C)([O+]=C(C)[C-](C(=[O+]3)C)c1ccccc1)([O+]=C(C)[C-](C(=[O+]2)C)c1ccccc1)[O+]=C(C)[C-](C(=[O+]4)C)c1ccccc1
/builddir/build/BUILD/openbabel-openbabel-2-4-1/test/canonstabletest.cpp:53: cansmi == line (FAIL)
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
==============================
*** Open Babel Error  in CalcCanonicalLabels
  maximum time exceeded...
        Start  25: test_carspacegroup_1
 25/160 Test  #25: test_carspacegroup_1 .............   Passed    1.08 sec
        Start  26: test_carspacegroup_2
 26/160 Test  #26: test_carspacegroup_2 .............   Passed   10.63 sec
        Start  27: test_carspacegroup_3
 27/160 Test  #27: test_carspacegroup_3 .............   Passed    9.87 sec
        Start  28: test_carspacegroup_4
 28/160 Test  #28: test_carspacegroup_4 .............   Passed    9.78 sec
        Start  29: test_cifspacegroup_1
 29/160 Test  #29: test_cifspacegroup_1 .............   Passed    9.93 sec
        Start  30: test_cifspacegroup_2
 30/160 Test  #30: test_cifspacegroup_2 .............   Passed    9.65 sec
        Start  31: test_cifspacegroup_3
 31/160 Test  #31: test_cifspacegroup_3 .............   Passed    0.14 sec
        Start  32: test_cifspacegroup_4
 32/160 Test  #32: test_cifspacegroup_4 .............   Passed    9.79 sec
        Start  33: test_cistrans_1
 33/160 Test  #33: test_cistrans_1 ..................   Passed    0.13 sec
        Start  34: test_cistrans_2
 34/160 Test  #34: test_cistrans_2 ..................   Passed    0.13 sec
        Start  35: test_cistrans_3
 35/160 Test  #35: test_cistrans_3 ..................   Passed    0.14 sec
        Start  36: test_cistrans_4
 36/160 Test  #36: test_cistrans_4 ..................   Passed    0.12 sec
        Start  37: test_cistrans_5
 37/160 Test  #37: test_cistrans_5 ..................   Passed    0.12 sec
        Start  38: test_cistrans_6
 38/160 Test  #38: test_cistrans_6 ..................   Passed    1.17 sec
        Start  39: test_cistrans_7
 39/160 Test  #39: test_cistrans_7 ..................   Passed    1.05 sec
        Start  40: test_cistrans_8
 40/160 Test  #40: test_cistrans_8 ..................   Passed    1.10 sec
        Start  41: test_cistrans_9
 41/160 Test  #41: test_cistrans_9 ..................   Passed    1.05 sec
        Start  42: test_graphsym_1
 42/160 Test  #42: test_graphsym_1 ..................   Passed    1.59 sec
        Start  43: test_graphsym_2
 43/160 Test  #43: test_graphsym_2 ..................   Passed    1.32 sec
        Start  44: test_graphsym_3
 44/160 Test  #44: test_graphsym_3 ..................   Passed    1.51 sec
        Start  45: test_graphsym_4
 45/160 Test  #45: test_graphsym_4 ..................   Passed    1.21 sec
        Start  46: test_graphsym_5
 46/160 Test  #46: test_graphsym_5 ..................   Passed    1.23 sec
        Start  47: test_gzip_1
 47/160 Test  #47: test_gzip_1 ......................   Passed    4.24 sec
        Start  48: test_implicitH_1
 48/160 Test  #48: test_implicitH_1 .................   Passed    1.25 sec
        Start  49: test_lssr_1
 49/160 Test  #49: test_lssr_1 ......................   Passed    2.90 sec
        Start  50: test_lssr_2
 50/160 Test  #50: test_lssr_2 ......................   Passed   49.31 sec
        Start  51: test_lssr_3
 51/160 Test  #51: test_lssr_3 ......................   Passed   15.53 sec
        Start  52: test_lssr_4
 52/160 Test  #52: test_lssr_4 ......................   Passed   15.30 sec
        Start  53: test_lssr_5
 53/160 Test  #53: test_lssr_5 ......................   Passed    1.37 sec
        Start  54: test_isomorphism_1
 54/160 Test  #54: test_isomorphism_1 ...............   Passed    1.22 sec
        Start  55: test_isomorphism_2
 55/160 Test  #55: test_isomorphism_2 ...............   Passed    1.09 sec
        Start  56: test_isomorphism_3
 56/160 Test  #56: test_isomorphism_3 ...............   Passed    1.01 sec
        Start  57: test_isomorphism_4
 57/160 Test  #57: test_isomorphism_4 ...............   Passed    1.10 sec
        Start  58: test_isomorphism_5
 58/160 Test  #58: test_isomorphism_5 ...............   Passed    1.18 sec
        Start  59: test_isomorphism_6
 59/160 Test  #59: test_isomorphism_6 ...............   Passed    1.25 sec
        Start  60: test_isomorphism_7
 60/160 Test  #60: test_isomorphism_7 ...............   Passed    1.15 sec
        Start  61: test_isomorphism_8
 61/160 Test  #61: test_isomorphism_8 ...............   Passed    1.05 sec
        Start  62: test_multicml_1
 62/160 Test  #62: test_multicml_1 ..................   Passed    1.15 sec
        Start  63: test_regressions_1
 63/160 Test  #63: test_regressions_1 ...............***Timeout 1501.72 sec
        Start  64: test_regressions_221
 64/160 Test  #64: test_regressions_221 .............***Timeout 1501.69 sec
        Start  65: test_regressions_222
 65/160 Test  #65: test_regressions_222 .............   Passed    1.12 sec
        Start  66: test_regressions_223
 66/160 Test  #66: test_regressions_223 .............   Passed    1.09 sec
        Start  67: test_regressions_224
 67/160 Test  #67: test_regressions_224 .............   Passed    1.23 sec
        Start  68: test_rotor_1
 68/160 Test  #68: test_rotor_1 .....................   Passed    0.13 sec
        Start  69: test_rotor_2
 69/160 Test  #69: test_rotor_2 .....................   Passed    1.13 sec
        Start  70: test_rotor_3
 70/160 Test  #70: test_rotor_3 .....................   Passed    1.07 sec
        Start  71: test_rotor_4
 71/160 Test  #71: test_rotor_4 .....................   Passed    1.29 sec
        Start  72: test_shuffle_1
 72/160 Test  #72: test_shuffle_1 ...................   Passed   13.27 sec
        Start  73: test_shuffle_2
 73/160 Test  #73: test_shuffle_2 ...................   Passed   17.65 sec
        Start  74: test_shuffle_3
 74/160 Test  #74: test_shuffle_3 ...................   Passed    6.14 sec
        Start  75: test_shuffle_4
 75/160 Test  #75: test_shuffle_4 ...................   Passed    2.17 sec
        Start  76: test_shuffle_5
 76/160 Test  #76: test_shuffle_5 ...................   Passed    6.41 sec
        Start  77: test_smiles_1
 77/160 Test  #77: test_smiles_1 ....................   Passed    1.15 sec
        Start  78: test_smiles_2
 78/160 Test  #78: test_smiles_2 ....................   Passed    1.18 sec
        Start  79: test_smiles_3
 79/160 Test  #79: test_smiles_3 ....................   Passed    1.64 sec
        Start  80: test_spectrophore_1
 80/160 Test  #80: test_spectrophore_1 ..............   Passed   35.08 sec
        Start  81: test_spectrophore_2
 81/160 Test  #81: test_spectrophore_2 ..............   Passed    1.81 sec
        Start  82: test_spectrophore_3
 82/160 Test  #82: test_spectrophore_3 ..............   Passed    1.78 sec
        Start  83: test_spectrophore_4
 83/160 Test  #83: test_spectrophore_4 ..............   Passed    2.39 sec
        Start  84: test_spectrophore_5
 84/160 Test  #84: test_spectrophore_5 ..............   Passed    2.08 sec
        Start  85: test_squareplanar_1
 85/160 Test  #85: test_squareplanar_1 ..............   Passed    0.13 sec
        Start  86: test_squareplanar_2
 86/160 Test  #86: test_squareplanar_2 ..............   Passed    0.13 sec
        Start  87: test_squareplanar_3
 87/160 Test  #87: test_squareplanar_3 ..............   Passed    0.13 sec
        Start  88: test_squareplanar_4
 88/160 Test  #88: test_squareplanar_4 ..............   Passed    0.13 sec
        Start  89: test_squareplanar_5
 89/160 Test  #89: test_squareplanar_5 ..............   Passed    0.13 sec
        Start  90: test_stereo_1
 90/160 Test  #90: test_stereo_1 ....................   Passed    0.12 sec
        Start  91: test_stereo_2
 91/160 Test  #91: test_stereo_2 ....................   Passed    0.12 sec
        Start  92: test_stereo_3
 92/160 Test  #92: test_stereo_3 ....................   Passed    0.12 sec
        Start  93: test_stereo_4
 93/160 Test  #93: test_stereo_4 ....................   Passed    0.12 sec
        Start  94: test_stereo_5
 94/160 Test  #94: test_stereo_5 ....................   Passed    0.13 sec
        Start  95: test_stereo_6
 95/160 Test  #95: test_stereo_6 ....................   Passed    6.11 sec
        Start  96: test_stereoperception_1
 96/160 Test  #96: test_stereoperception_1 ..........   Passed    1.15 sec
        Start  97: test_stereoperception_2
 97/160 Test  #97: test_stereoperception_2 ..........   Passed    1.22 sec
        Start  98: test_stereoperception_3
 98/160 Test  #98: test_stereoperception_3 ..........   Passed    1.13 sec
        Start  99: test_stereoperception_4
 99/160 Test  #99: test_stereoperception_4 ..........   Passed    1.17 sec
        Start 100: test_tautomer_1
100/160 Test #100: test_tautomer_1 ..................   Passed    1.63 sec
        Start 101: test_tautomer_2
101/160 Test #101: test_tautomer_2 ..................   Passed    1.46 sec
        Start 102: test_tetrahedral_1
102/160 Test #102: test_tetrahedral_1 ...............   Passed    0.12 sec
        Start 103: test_tetrahedral_2
103/160 Test #103: test_tetrahedral_2 ...............   Passed    0.13 sec
        Start 104: test_tetrahedral_3
104/160 Test #104: test_tetrahedral_3 ...............   Passed    0.13 sec
        Start 105: test_tetrahedral_4
105/160 Test #105: test_tetrahedral_4 ...............   Passed    0.12 sec
        Start 106: test_tetrahedral_5
106/160 Test #106: test_tetrahedral_5 ...............   Passed    0.12 sec
        Start 107: test_tetranonplanar_1
107/160 Test #107: test_tetranonplanar_1 ............   Passed    0.12 sec
        Start 108: test_tetraplanar_1
108/160 Test #108: test_tetraplanar_1 ...............   Passed    0.12 sec
        Start 109: test_uniqueid_1
109/160 Test #109: test_uniqueid_1 ..................   Passed    0.14 sec
        Start 110: test_uniqueid_2
110/160 Test #110: test_uniqueid_2 ..................   Passed    0.13 sec
        Start 111: test_aromatest_1
111/160 Test #111: test_aromatest_1 .................   Passed    1.24 sec
        Start 112: test_atom_1
112/160 Test #112: test_atom_1 ......................   Passed    0.12 sec
        Start 113: test_atom_2
113/160 Test #113: test_atom_2 ......................   Passed    0.12 sec
        Start 114: test_atom_3
114/160 Test #114: test_atom_3 ......................   Passed    0.12 sec
        Start 115: test_atom_4
115/160 Test #115: test_atom_4 ......................   Passed    0.12 sec
        Start 116: test_bond_1
116/160 Test #116: test_bond_1 ......................   Passed    0.12 sec
        Start 117: test_cansmi_1
117/160 Test #117: test_cansmi_1 ....................   Passed   24.04 sec
        Start 118: test_charge_mmff94_1
118/160 Test #118: test_charge_mmff94_1 .............   Passed    3.28 sec
        Start 119: test_charge_gasteiger_1
119/160 Test #119: test_charge_gasteiger_1 ..........   Passed    1.69 sec
        Start 120: test_conversion_1
120/160 Test #120: test_conversion_1 ................   Passed    1.08 sec
        Start 121: test_datatest_1
121/160 Test #121: test_datatest_1 ..................   Passed    0.14 sec
        Start 122: test_ffgaff_1
122/160 Test #122: test_ffgaff_1 ....................   Passed   36.40 sec
        Start 123: test_ffghemical_1
123/160 Test #123: test_ffghemical_1 ................   Passed   97.34 sec
        Start 124: test_ffmmff94_1
124/160 Test #124: test_ffmmff94_1 ..................***Failed  Error regular expression found in output. Regex=[not ok] 49.24 sec
# Testing MMFF94 Force Field...
ok 1 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : 
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
    bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
    angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
    strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
    torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
    oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
    vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
    electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
 2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
    bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
    angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
    strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
    torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
    oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
    vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
    electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
 3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
    bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
    angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
    strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
    torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
    oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
    vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
    electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
 4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
    bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
    angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
    strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
    torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
    oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
    vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
    electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
 5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
    bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
    angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
    strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
    torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
    oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
    vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
    electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
 6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
    bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
    angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
    strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
    torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
    oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
    vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
    electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
 7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
    bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
    angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
    strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
    torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
    oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
    vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
    electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
 8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
    bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
    angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
    strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
    torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
    oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
    vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
    electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
 9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
    bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
    angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
    strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
    torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
    electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
    bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
    angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
    strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
    torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
    oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
    vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
    electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
    bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
    angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
    strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
    torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
    oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
    vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
    electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
    bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
    angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
    strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
    torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
    oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
    vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
    electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
    bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
    angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
    strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
    torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
    electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
    bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
    angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
    strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
    torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
    oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
    vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
    electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
    bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
    angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
    strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
    torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
    oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
    vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
    electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
    bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
    angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
    strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
    torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
    oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
    vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
    electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
    bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
    angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
    strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
    torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
    oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
    vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
    electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
    bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
    angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
    strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
    torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
    oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
    vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
    electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
    bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
    angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
    strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
    torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
    oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
    vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
    electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
    bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
    angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
    strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
    torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
    oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
    vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
    electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
    bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
    angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
    strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
    torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
    oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
    vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
    electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
    bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
    angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
    strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
    torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
    electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
    bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
    angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
    strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
    torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
    oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
    vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
    electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
    bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
    angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
    strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
    torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
    bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
    angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
    strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
    torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
    bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
    angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
    strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
    torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
    bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
    angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
    strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
    torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
    bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
    angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
    strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
    torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
    bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
    angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
    strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
    torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
    bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
    angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
    strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
    torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
    bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
    angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
    strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
    torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
    bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
    angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
    strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
    torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
    bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
    angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
    strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
    torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
    bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
    angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
    torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
    bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
    angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
    strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
    torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
    electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
    bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
    angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
    strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
    torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
    electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
    bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
    angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
    strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
    vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
    electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
    bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
    angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
    strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
    torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
    oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
    electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
    bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
    angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
    strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
    torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
    oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
    vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
    electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
ok 2 # gradients 
ok 3 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
    bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
    angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
    strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
    torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
    electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
 2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
    bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
    angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
    strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
    torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
    bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
    angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
    strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
    electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
 4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
    bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
    angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
    strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
    electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
 5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
    bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
    angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
    strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
    electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
 6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
    bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
    angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
    strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
    electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
 7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
    bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
    angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
    electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
ok 4 # gradients 
ok 5 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
    bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
    angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
    strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
    torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
    vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
    electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
 2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
    bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
    angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
    strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
    torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
    bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
    angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
    strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
    vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
    electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
 4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
    bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
    angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
    strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
    torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
    oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
    vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
    bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
    angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
    strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
    torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
    vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
    electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
 6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
    bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
    angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
    strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
    oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
    vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
    electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
 7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
    bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
    angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
    strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
    torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
    bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
    angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
    torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
    bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
    angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
    strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 6 # gradients 
ok 7 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
    bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
    angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
    strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
    torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
    electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
 2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
    bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
    angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
    strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
    torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
    oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
    bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
    angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
    strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
    torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
    bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
    angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
    strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
    torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
    bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
    angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
    strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
    torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
    bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
    angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
    strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
    torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
    oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
    vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
    bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
    angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
    strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
    torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
    oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
    vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
    electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
 8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
    bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
    angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
    torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
    oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
    vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
    electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
ok 8 # gradients 
ok 9 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
    bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
    angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
    strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
    torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
    bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
    angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
    strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
    torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
    bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
    angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
    strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
    torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
    bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
    angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
    strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
    torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
    bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
    angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
    strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
    bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
    angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
    strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
    bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
    angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
    strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
    bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
    angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
    strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
    bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
    angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
    torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
    bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
    angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
    bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
    angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
    strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
    bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
    angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
    strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
    bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
    angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
    strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
    torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 10 # gradients 
ok 11 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
    bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
    angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
    strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
    torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
    bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
    angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
    strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
    bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
    angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
    strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
    bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
    angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
    strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
    bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
    angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
    strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
    bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
    angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
    strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
    bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
    angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
    strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
    bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
    angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
    strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
    bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
    angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
    strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
    bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
    angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
    strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
    bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
    angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
    strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
    bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
    angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
    strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
    bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
    angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
    strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
    torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 12 # gradients 
ok 13 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
    bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
    angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
    strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
    torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
    oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
    vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
    electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
 2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
    bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
    angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
    strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
    torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
    oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
    vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
    electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
 3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
    bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
    angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
    strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
    torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
    oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
    vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
    electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
 4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
    bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
    angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
    strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
    torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
    oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
    vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
    electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
 5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
    bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
    angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
    strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
    torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
    oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
    vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
    electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
 6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
    bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
    angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
    strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
    torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
    oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
    vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
    electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
 7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
    bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
    angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
    strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
    torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
    oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
    vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
    electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
 8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
    bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
    angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
    strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
    torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
    oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
    vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
 9       (  2.586,  -3.839,  -7.626)  (  2.603,  -4.121,  -7.463)  ( 0.65,  7.34,  2.13)
    bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
    angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
    strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
    torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
    oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
    vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
    electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
    bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
    angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
    strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
    torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
    oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
    vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
    electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
    bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
    angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
    strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
    torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
    oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
    vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
    electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
    bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
    angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
    strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
    torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
    oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
    vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
    electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
    bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
    angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
    strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
    torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
    oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
    vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
    electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
    bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
    angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
    strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
    torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
    oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
    vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
    electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
    bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
    angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
    strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
    torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
    oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
    vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
    electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
    bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
    angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
    strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
    torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
    oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
    vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
    electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
    bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
    angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
    strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
    torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
    oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
    vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
    electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
    bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
    angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
    strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
    torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
    oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
    vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
    electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
    bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
    angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
    strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
    torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
    oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
    vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
    electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
    bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
    angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
    strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
    torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
    oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
    vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
    electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
    bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
    angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
    strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
    torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
    oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
    vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
    electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
    bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
    angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
    strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
    torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
    bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
    angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
    strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
    torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
    bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
    angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
    strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
    torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
    oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
    vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
    electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
    bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
    angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
    strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
    torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
    bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
    angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
    strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
    torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
    electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
    bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
    angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
    strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
    torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
    bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
    angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
    strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
    torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
    electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
    bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
    angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
    strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
    torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
    oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
    vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
    electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
    bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
    angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
    strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
    torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
    oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
    vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
    electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
    bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
    angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
    strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
    torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
    oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
    vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
    electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
    bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
    angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
    strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
    torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
    oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
    vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
    electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
    bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
    angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
    strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
    torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
    electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
    bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
    angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
    strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
    torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
    electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
    bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
    angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
    strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
    torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
    oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
    vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
    electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
    bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
    angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
    strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
    torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
    oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
    vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
    electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
    bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
    angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
    strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
    torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
    oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
    vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
    electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
    bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
    angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
    strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
    torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
    oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
    vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
    electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
    bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
    angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
    strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
    torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
    oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
    vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
    electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
    bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
    angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
    strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
    torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
    oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
    vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
    electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
    bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
    angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
    strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
    torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
    oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
    vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
    electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
    bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
    angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
    strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
    torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
    oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
    vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
    electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
    bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
    angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
    strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
    torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
    oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
    electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
    bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
    angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
    strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
    torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
    oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
    vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
    electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
    bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
    angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
    strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
    torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
    oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
    vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
    electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
    bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
    angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
    strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
    torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
    oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
    vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
    electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
    bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
    angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
    strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
    torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
    bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
    angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
    strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
    torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
    bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
    angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
    strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
    torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
    bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
    angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
    strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
    torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
    bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
    angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
    strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
    torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
    bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
    angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
    strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
    torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
    bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
    angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
    strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
    torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
    bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
    angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
    strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
    torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
    bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
    angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
    strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
    torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
    bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
    angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
    strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
    torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
    bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
    angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
    strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
    torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
    bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
    angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
    strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
    torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
    bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
    angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
    torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
    bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
    angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
    strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
    torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
    bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
    angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
    strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
    torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
    bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
    angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
    strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
    torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
    bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
    angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
    strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
    torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
    bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
    angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
    strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
    torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
    electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
    bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
    angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
    strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
    torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
    electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
not ok 14 # gradients do not validate  for molecule /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
ok 15 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
    bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
    angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
    strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
    torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
    oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
    vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
    electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
 2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
    bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
    angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
    strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
    torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
    oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
    vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
    electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
 3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
    bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
    angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
    strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
    torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
    oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
    vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
    electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
 4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
    bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
    angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
    strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
    torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
    oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
    vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
    electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
 5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
    bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
    angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
    strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
    torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
    oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
    vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
    electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
 6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
    bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
    angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
    strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
    torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
    oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
    vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
    electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
 7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
    bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
    angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
    strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
    torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
    oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
    vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
    electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
 8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
    bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
    angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
    strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
    torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
    oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
    vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
    electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
 9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
    bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
    angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
    strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
    torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
    oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
    vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
    electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
    bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
    angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
    strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
    torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
    oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
    vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
    electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
    bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
    angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
    strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
    torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
    oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
    vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
    electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
    bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
    angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
    strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
    torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
    oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
    vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
    electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
    bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
    angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
    strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
    torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
    oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
    vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
    electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
    bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
    angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
    strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
    torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
    oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
    vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
    electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
    bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
    angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
    strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
    torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
    oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
    vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
    electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
    bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
    angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
    strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
    torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
    oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
    vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
    electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
    bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
    angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
    torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
    oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
    vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
    electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
    bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
    angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
    strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
    torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
    oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
    vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
    electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
    bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
    angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
    strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
    bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
    angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
    strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
    bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
    angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
    strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
    bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
    angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
    strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
    bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
    angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
    strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
    bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
    angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
    strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 16 # gradients 
ok 17 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
    bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
    angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
    strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
    torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
    oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
    bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
    angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
    strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
    bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
    angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
    strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
    bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
    angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
    strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
    torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
    oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
    bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
    angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
    strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
    torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
    bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
    angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
    strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
    torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
    bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
    angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
    strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
    torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
    oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
    bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
    angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
    strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
    torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
    oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
    bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
    angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
    strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
    torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
    oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
    vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
    bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
    angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
    strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
    torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
    bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
    angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
    strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
    torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
    bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
    angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
    strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
    torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
    oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
    vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
    bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
    angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
    strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
    torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
    bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
    angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
    strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
    torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
    bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
    angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
    strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
    torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
    bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
    angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
    strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
    torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
    oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
    bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
    angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
    strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
    torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
    bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
    angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
    strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
    torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
    oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
    bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
    angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
    strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
    torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
    bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
    angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
    strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
    torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
    bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
    angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
    strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
    torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
    bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
    angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
    strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
    torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
    oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
    bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
    angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
    strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
    torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
    bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
    angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
    strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
    torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
    bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
    angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
    strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
    torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
    bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
    angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
    strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
    torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
    oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
    bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
    angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
    strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
    torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
    bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
    angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
    strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
    torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
    oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
    bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
    angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
    strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
    torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
    bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
    angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
    strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
    bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
    angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
    strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
    torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
    oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
    bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
    angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
    strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
    torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
    bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
    angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
    strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
    torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
    bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
    angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
    strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
    bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
    angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
    strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
    torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
    bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
    angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
    strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
    torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
    bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
    angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
    strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
    torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
    oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
    bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
    angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
    strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
    torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
    bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
    angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
    strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
    torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
    oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
    bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
    angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
    strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
    torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
    bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
    angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
    strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
    torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
    oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
    bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
    angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
    strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
    torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
    oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
    bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
    angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
    strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
    torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
    oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
    vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
    bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
    angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
    strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
    torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
    bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
    angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
    strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
    torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
    bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
    angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
    strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
    torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
    bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
    angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
    strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
    torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
    oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
    bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
    angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
    strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
    torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
    oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
    bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
    angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
    strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
    torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
    bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
    angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
    strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
    torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
    oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
    bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
    angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
    strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
    torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
    oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
    bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
    angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
    strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
    torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
    oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
    bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
    angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
    strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
    torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
    oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
    bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
    angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
    strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
    oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
    bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
    angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
    strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
    torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
    oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
    bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
    angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
    strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
    torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
    oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
    bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
    angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
    strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
    torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
    oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
    vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
    bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
    angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
    strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
    torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
    oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
    bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
    angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
    strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
    torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
    oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
    bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
    angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
    strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
    oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 18 # gradients 
ok 19 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
    bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
    angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
    strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
    torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
    oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
    vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
    electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
 2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
    bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
    angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
    strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
    torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
    oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
    vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
    electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
 3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
    bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
    angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
    strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
    torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
    oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
    vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
    electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
 4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
    bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
    angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
    strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
    torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
    oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
    vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
    electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
 5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
    bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
    angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
    strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
    vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
    electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
 6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
    bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
    angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
    strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
    torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
    oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
    vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
    electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
 7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
    bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
    angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
    strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
    torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
    oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
    vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
    electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
 8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
    bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
    angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
    strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
    oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
    vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
    electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
 9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
    bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
    angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
    strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
    torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
    oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
    vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
    electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
    bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
    angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
    strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
    torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
    oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
    vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
    electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
    bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
    angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
    strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
    torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
    vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
    electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
    bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
    angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
    strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
    torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
    oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
    vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
    electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
    bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
    angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
    strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
    torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
    oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
    vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
    electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
    bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
    angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
    strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
    torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
    vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
    electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
    bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
    angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
    strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
    vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
    electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
    bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
    angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
    strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
    bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
    angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
    strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
    torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
    bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
    angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
    strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
    torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
    bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
    angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
    strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
    torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
    bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
    angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
    strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
    bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
    angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
    strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
    torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
    bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
    angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
    strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
    torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
    bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
    angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
    strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
    torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
    bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
    angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
    strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
    torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 20 # gradients 
ok 21 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
    bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
    angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
    strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
    torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
    electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
 2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
    bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
    angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
    strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
    torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
    bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
    angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
    strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
    torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
    bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
    angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
    strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
    torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
    oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
    vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
    electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
 5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
    bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
    angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
    strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
    torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
    oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
    vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
    electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
 6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
    bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
    angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
    strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
    torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
    oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
    vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
    electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
 7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
    bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
    angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
    strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
    torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
    oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
    vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
    electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
 8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
    bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
    angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
    strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
    torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
    bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
    angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
    strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
    torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
    bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
    angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
    strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
    torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
    bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
    angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
    strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
    torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
    bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
    angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
    strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
    torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
    bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
    angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
    strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
    torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
    bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
    angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
    strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
    torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
    bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
    angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
    strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
    torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
    bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
    angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
    strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
    torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
    bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
    angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
    strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
    torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
    bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
    angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
    strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
    torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
    bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
    angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
    strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
    torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
    bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
    angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
    strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
    torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
    bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
    angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
    strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
    torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
    bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
    angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
    strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
    torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
    bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
    angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
    strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
    torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
    bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
    angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
    strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
    torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
    bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
    angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
    strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
    torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
    bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
    angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
    strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
    torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
    oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
    vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
    electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
    bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
    angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
    strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
    torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
    bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
    angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
    strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
    torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
    electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
    bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
    angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
    strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
    torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
    bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
    angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
    strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
    torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
    bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
    angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
    strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
    torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
    bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
    angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
    strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
    torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
    bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
    angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
    strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
    torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
    bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
    angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
    strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
    torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
    bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
    angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
    strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
    torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
    bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
    angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
    strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
    torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
    bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
    angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
    strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
    torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
    bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
    angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
    strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
    torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
    bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
    angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
    strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
    torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
    oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
    vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
    electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
    bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
    angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
    strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
    torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
    bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
    angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
    torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
    bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
    angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
    strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
    torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
    bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
    angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
    strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
    torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
    bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
    angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
    strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
    torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
    bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
    angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
    strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
    torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
    bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
    angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
    strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
    torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
    bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
    angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
    strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
    torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
    bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
    angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
    strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
    torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
    bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
    angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
    strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
    torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
    bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
    angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
    strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
    torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
    bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
    angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
    strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
    torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
    bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
    angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
    torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
    bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
    angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
    strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
    torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
    bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
    angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
    strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
    torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
    bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
    angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
    strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
    torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
    bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
    angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
    strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
    torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
    bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
    angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
    strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
    torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
    bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
    angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
    strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
    torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
    bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
    angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
    strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
    torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
    bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
    angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
    strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
    torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
    bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
    angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
    strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
    torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
    bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
    angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
    strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
    torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
    bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
    angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
    strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
    torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
    bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
    angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
    strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
    torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
    bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
    angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
    strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
    torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
    bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
    angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
    strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
    torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
    bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
    angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
    strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
    torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
    bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
    angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
    strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
    torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
    bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
    angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
    strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
    torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
    bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
    angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
    strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
    torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
    bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
    angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
    strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
    torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
    bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
    angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
    strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
    torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
    bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
    angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
    strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
    torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
    bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
    angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
    strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
    torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
    electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
ok 22 # gradients 
ok 23 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
    bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
    angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
    strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
    torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
    oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
    vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
    electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
 2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
    bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
    angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
    strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
    torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
    oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
    vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
    electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
 3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
    bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
    angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
    strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
    torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
    oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
    vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
    electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
 4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
    bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
    angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
    strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
    torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
    oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
    vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
    electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
 5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
    bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
    angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
    strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
    torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
    oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
    vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
    electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
 6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
    bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
    angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
    strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
    torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
    oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
    vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
    electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
 7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
    bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
    angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
    strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
    torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
    oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
    vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
    electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
 8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
    bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
    angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
    strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
    torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
    oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
    vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
    electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
 9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
    bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
    angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
    strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
    torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
    oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
    vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
    electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
    bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
    angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
    strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
    torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
    oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
    vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
    electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
    bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
    angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
    strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
    torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
    oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
    vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
    electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
    bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
    angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
    strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
    torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
    oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
    vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
    electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
    bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
    angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
    strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
    torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
    oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
    vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
    electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
    bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
    angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
    strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
    torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
    oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
    electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
    bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
    angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
    strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
    torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
    oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
    vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
    electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
    bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
    angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
    strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
    torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
    oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
    vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
    electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
    bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
    angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
    strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
    torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
    oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
    vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
    electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
    bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
    angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
    strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
    torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
    oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
    electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
    bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
    angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
    strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
    torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
    oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
    vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
    electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
    bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
    angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
    strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
    torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
    oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
    vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
    electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
    bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
    angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
    strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
    torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
    bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
    angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
    strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
    torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
    bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
    angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
    strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
    torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
    electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
    bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
    angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
    strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
    torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
    bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
    angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
    strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
    torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
    electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
    bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
    angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
    strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
    torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
    bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
    angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
    strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
    torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
    electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
    bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
    angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
    strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
    torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
    bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
    angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
    strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
    torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
    bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
    angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
    strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
    torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
    bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
    angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
    strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
    torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
    bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
    angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
    strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
    torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
    electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
    bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
    angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
    strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
    torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
    oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
    vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
    electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
    bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
    angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
    strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
    torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
    oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
    vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
    electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
    bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
    angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
    strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
    torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
    electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
    bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
    angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
    strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
    torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
    electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
    bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
    angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
    strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
    torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
    electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
    bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
    angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
    strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
    torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
    electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
    bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
    angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
    strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
    torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
    electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
    bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
    angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
    strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
    torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
    electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
    bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
    angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
    strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
    torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
    electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
    bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
    angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
    strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
    torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
    electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
ok 24 # gradients 
ok 25 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
    bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
    angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
    strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
    torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
    oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
    vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
    electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
 2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
    bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
    angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
    strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
    torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
    oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
    vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
    electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
 3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
    bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
    angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
    strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
    torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
    oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
    vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
    electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
 4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
    bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
    angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
    strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
    torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
    oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
    vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
    electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
 5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
    bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
    angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
    strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
    torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
    oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
    vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
    electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
 6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
    bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
    angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
    strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
    torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
    oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
    vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
    electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
 7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
    bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
    angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
    strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
    torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
    electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
 8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
    bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
    angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
    strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
    torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
    bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
    angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
    strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
    torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
    bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
    angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
    strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
    torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
    electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
    bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
    angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
    strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
    torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
    oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
    vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
    electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
    bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
    angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
    strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
    torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
    bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
    angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
    strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
    torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
    bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
    angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
    strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
    torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
    bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
    angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
    strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
    torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
    bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
    angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
    strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
    torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
    oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
    electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
    bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
    angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
    strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
    torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
    oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
    vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
    electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
    bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
    angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
    strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
    torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
    oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
    vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
    electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
    bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
    angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
    strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
    torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
    oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
    vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
    electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
    bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
    angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
    strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
    torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
    oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
    vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
    electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
    bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
    angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
    strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
    torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
    bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
    angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
    strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
    torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
    oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
    vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
    electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
    bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
    angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
    strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
    torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
    oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
    electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
    bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
    angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
    strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
    torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
    oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
    vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
    electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
    bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
    angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
    strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
    torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
    oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
    vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
    electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
    bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
    angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
    strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
    torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
    oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
    vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
    electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
    bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
    angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
    strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
    torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
    oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
    electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
    bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
    angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
    strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
    torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
    oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
    electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
    bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
    angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
    strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
    torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
    oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
    vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
    electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
    bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
    angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
    torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
    oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
    electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
    bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
    angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
    strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
    torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
    vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
    electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
    bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
    angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
    strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
    torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
    oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
    vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
    electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
    bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
    angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
    strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
    torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
    oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
    vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
    electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
    bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
    angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
    strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
    torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
    electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
    bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
    angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
    strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
    torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
    bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
    angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
    strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
    torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
    bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
    angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
    strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
    torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 26 # gradients 
ok 27 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
    bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
    angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
    strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
    torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
    oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
    vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
    electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
 2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
    bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
    angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
    strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
    torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
    oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
    vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
    electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
 3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
    bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
    angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
    strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
    torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
    oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
    vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
    electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
 4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
    bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
    angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
    strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
    torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
    oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
    vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
    electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
 5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
    bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
    angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
    strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
    torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
    oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
    vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
    electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
 6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
    bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
    angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
    strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
    torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
    oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
    vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
    electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
 7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
    bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
    angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
    strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
    torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
    oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
    vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
    electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
 8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
    bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
    angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
    strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
    torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
    oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
    vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
    electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
 9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
    bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
    angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
    strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
    torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
    electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
    bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
    angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
    strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
    torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
    oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
    vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
    electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
    bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
    angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
    strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
    torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
    oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
    vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
    electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
    bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
    angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
    strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
    torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
    oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
    vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
    electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
    bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
    angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
    strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
    torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
    electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
    bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
    angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
    strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
    torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
    oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
    vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
    electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
    bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
    angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
    strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
    torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
    oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
    vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
    electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
    bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
    angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
    strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
    torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
    oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
    vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
    electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
    bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
    angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
    strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
    torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
    oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
    vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
    electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
    bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
    angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
    strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
    torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
    oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
    vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
    electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
    bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
    angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
    strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
    torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
    oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
    vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
    electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
    bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
    angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
    strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
    torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
    oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
    vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
    electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
    bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
    angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
    strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
    torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
    oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
    vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
    electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
    bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
    angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
    strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
    torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
    electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
    bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
    angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
    strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
    torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
    oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
    vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
    electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
    bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
    angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
    strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
    torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
    bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
    angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
    strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
    torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
    bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
    angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
    strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
    torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
    bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
    angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
    strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
    torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
    bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
    angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
    strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
    torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
    bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
    angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
    strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
    torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
    bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
    angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
    strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
    torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
    bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
    angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
    strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
    torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
    bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
    angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
    strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
    torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
    bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
    angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
    strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
    torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
    bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
    angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
    strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
    torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
    bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
    angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
    strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
    torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
    electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
    bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
    angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
    strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
    torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
    electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
    bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
    angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
    strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
    vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
    electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
    bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
    angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
    strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
    torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
    oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
    electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
    bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
    angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
    strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
    torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
    oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
    vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
    electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
ok 28 # gradients 
ok 29 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
    bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
    angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
    strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
    torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
    bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
    angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
    strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
    torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
    bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
    angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
    strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
    torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
    oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
    vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
    electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
 4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
    bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
    angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
    strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
    torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
    bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
    angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
    strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
    torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
    oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
    vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
    electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
 6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
    bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
    angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
    strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
    torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
    oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
    vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
    electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
 7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
    bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
    angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
    strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
    torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
    oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
    vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
    electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
 8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
    bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
    angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
    strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
    torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
    oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
    vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
    electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
 9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
    bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
    angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
    strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
    torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
    oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
    vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
    electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
    bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
    angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
    strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
    torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
    oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
    vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
    electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
    bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
    angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
    strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
    torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
    oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
    vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
    electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
    bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
    angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
    strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
    torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
    bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
    angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
    strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
    torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
    oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
    vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
    electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
    bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
    angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
    strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
    torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
    oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
    vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
    electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
    bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
    angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
    strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
    torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
    oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
    vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
    electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
    bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
    angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
    strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
    torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
    bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
    angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
    strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
    torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
    bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
    angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
    strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
    torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
    bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
    angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
    torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
    bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
    angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
    strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
    torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
    bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
    angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
    strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
    torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
    bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
    angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
    strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
    torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
    bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
    angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
    strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
    torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
    bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
    angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
    strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
    torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
    bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
    angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
    strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
    torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
    oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
    vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
    electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
    bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
    angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
    strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
    torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
    oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
    vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
    electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
    bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
    angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
    torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
    oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
    vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
    electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
    bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
    angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
    strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
    torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
    oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
    vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
    bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
    angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
    strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
    torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
    bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
    angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
    strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
    torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
    bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
    angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
    strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
    torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
    bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
    angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
    strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
    torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
    bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
    angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
    strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
    torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
    electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
ok 30 # gradients 
ok 31 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
    bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
    angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
    strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
    torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
    oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
    vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
    electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
 2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
    bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
    angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
    strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
    torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
    oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
    vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
    electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
 3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
    bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
    angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
    strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
    torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
    bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
    angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
    strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
    torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
    bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
    angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
    strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
    torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
    bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
    angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
    strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
    torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
    oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
    vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
    electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
 7       (  0.163,   0.254,  -0.307)  (  0.096,   0.140,  -0.063)  ( 1.10,  2.91,  7.49)
    bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
    angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
    strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
    torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
    oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
    vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
    electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
 8       ( -0.072,  -0.167,   0.304)  ( -0.035,  -0.084,   0.148)  ( 0.26,  1.38,  4.74)
    bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
    angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
    strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
    torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
    oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
    vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
    electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
 9       ( -0.704,  -0.671,  -0.056)  (  0.394,   0.371,   0.139)  (77.26, 69.84,  1.09)
    bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
    angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
    strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
    torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
    oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
    vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
    electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
    bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
    angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
    strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
    torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
    oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
    vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
    electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
    bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
    angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
    strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
    torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
    oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
    vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
    electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
    bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
    angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
    strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
    torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
    bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
    angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
    strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
    torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
    electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
    bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
    angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
    strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
    torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
    oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
    vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
    electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
    bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
    angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
    strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
    torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
    bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
    angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
    strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
    torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
    oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
    vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
    electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
    bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
    angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
    strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
    torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
    electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
    bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
    angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
    strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
    torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
    oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
    vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
    electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
    bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
    angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
    strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
    torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
    bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
    angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
    strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
    torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
    bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
    angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
    strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
    torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
    oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
    vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
    electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
    bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
    angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
    strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
    torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
    bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
    angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
    strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
    torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
    oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
    vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
    electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
    bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
    angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
    strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
    torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
    bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
    angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
    strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
    torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
    bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
    angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
    strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
    torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
    bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
    angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
    strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
    torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
    bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
    angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
    strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
    torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
    bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
    angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
    strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
    torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
    bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
    angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
    strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
    torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
    electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
    bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
    angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
    strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
    torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
    oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
    vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
    electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
ok 32 # gradients 
ok 33 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
    bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
    angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
    strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
    electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
 2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
    bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
    angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
    strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
    torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
    oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
    vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
    electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
 3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
    bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
    angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
    strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
    torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
    oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
    vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
    electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
 4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
    bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
    angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
    strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
    torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
    oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
    bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
    angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
    strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
    torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
    oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
    vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
    electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
 6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
    bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
    angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
    strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
    torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
    oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
    vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
    electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
 7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
    bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
    angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
    strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
    torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
    bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
    angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
    strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
    torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
    electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
 9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
    bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
    angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
    strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
    torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
    electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
    bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
    angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
    strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
    electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
    bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
    angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
    strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
    torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
    vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
    electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
    bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
    angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
    strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
    torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
    oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
    electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
    bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
    angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
    strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
    torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
    electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
    bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
    angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
    strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
    torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
    electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
    bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
    angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
    strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
    torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
    oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
    vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
    electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
    bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
    angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
    strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
    torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
    electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
    bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
    angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
    strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
    torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
    electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
    bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
    angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
    strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
    torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
    oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
    vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
    electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
    bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
    angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
    strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
    torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
    oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
    electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
    bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
    angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
    strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
    torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
    electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
    bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
    angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
    strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
    torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
    oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
    electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
    bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
    angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
    strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
    torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
    bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
    angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
    strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
    torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
    bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
    angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
    strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
    torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
    bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
    angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
    strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
    torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
    bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
    angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
    strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
    torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
    bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
    angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
    strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
    torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 34 # gradients 
ok 35 # energy 
----------------------------------------------------------------------------------------
                                                                                        
  VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
                                                                                        
                                                                                        
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
    bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
    angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
    strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
    torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
    electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
 2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
    bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
    angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
    strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
    torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
    electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
 3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
    bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
    angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
    strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
    torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
    electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
 4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
    bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
    angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
    strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
    torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
    electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
 5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
    bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
    angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
    strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
    torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
    electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
 6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
    bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
    angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
    strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
    torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
    electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
 7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
    bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
    angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
    strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
    torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
    electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
 8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
    bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
    angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
    strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
    torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
    oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
    vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
    electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
 9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
    bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
    angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
    strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
    torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
    electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
    bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
    angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
    strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
    torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
    electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
    bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
    angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
    strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
    torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
    oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
    vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
    electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
    bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
    angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
    strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
    torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
    oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
    vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
    electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
    bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
    angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
    strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
    torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
    oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
    vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
    electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
    bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
    angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
    strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
    torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
    oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
    vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
    electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
    bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
    angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
    strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
    torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
    oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
    vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
    electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
    bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
    angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
    strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
    torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
    oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
    vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
    electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
    bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
    angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
    strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
    torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
    oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
    vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
    electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
    bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
    angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
    strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
    torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
    electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
    bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
    angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
    strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
    torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
    bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
    angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
    strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
    torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
    oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
    vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
    electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
    bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
    angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
    strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
    torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
    oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
    vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
    electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
    bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
    angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
    strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
    torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
    oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
    vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
    electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
    bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
    angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
    strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
    torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
    oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
    vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
    electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
    bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
    angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
    strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
    torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
    oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
    vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
    electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
    bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
    angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
    strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
    torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
    oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
    vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
    electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
    bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
    angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
    strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
    torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
    oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
    vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
    electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
    bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
    angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
    strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
    torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
    oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
    vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
    electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
    bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
    angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
    strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
    torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
    oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
    vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
    electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
    bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
    angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
    strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
    torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
    oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
    vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
    electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
    bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
    angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
    strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
    torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
    oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
    vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
    electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
    bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
    angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
    strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
    torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
    oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
    vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
    electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
    bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
    angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
    strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
    torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
    bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
    angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
    strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
    torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
    bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
    angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
    strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
    torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
    bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
    angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
    strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
    torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
    bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
    angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
    strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
    torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
    bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
    angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
    strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
    torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
    bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
    angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
    strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
    torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
    bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
    angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
    strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
    torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
    bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
    angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
    strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
    torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
    bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
    angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
    strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
    torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
    bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
    angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
    strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
    torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
    bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
    angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
    strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
    torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
    bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
    angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
    strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
    torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
    bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
    angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
    strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
    torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
    oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
    vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
    electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
    bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
    angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
    strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
    torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
    oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
    vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
    electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
    bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
    angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
    strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
    torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
    oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
    vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
    electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
    bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
    angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
    strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
    torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
    bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
    angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
    strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
    torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
    bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
    angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
    strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
    torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
    bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
    angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
    strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
    torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
    bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
    angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
    strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
    torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
    bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
    angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
    strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
    torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
    oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
    vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
    electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
    bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
    angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
    strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
    torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
    bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
    angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
    strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
    torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
    bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
    angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
    strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
    torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
    bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
    angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
    strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
    torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
    bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
    angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
    strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
    torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
    bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
    angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
    strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
    torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
    bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
    angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
    strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
    torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
    bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
    angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
    strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
    torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
    bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
    angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
    strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
    torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
    bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
    angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
    strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
    torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 36 # gradients 
        Start 125: test_ffmmff94_2
125/160 Test #125: test_ffmmff94_2 ..................   Passed    6.14 sec
        Start 126: test_ffuff_1
126/160 Test #126: test_ffuff_1 .....................***Failed  Error regular expression found in output. Regex=[not ok] 36.53 sec
# Testing UFF Force Field...
ok 1 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (111.321,  -6.131, -23.523)  (110.994,  -6.404, -21.901)  ( 0.29,  4.46,  6.90)
    bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
    angle   (160.469, -74.693,  22.127)  (160.483, -74.679,  22.129)  ( 0.01,  0.02,  0.01)
    torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
    oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
    vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-152.597, 147.500, 264.482)  (-151.448, 148.481, 260.075)  ( 0.75,  0.67,  1.67)
    bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
    angle   (-104.043, 102.032, 106.856)  (-104.029, 102.050, 106.859)  ( 0.01,  0.02,  0.00)
    torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
    oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
    vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-54.531,  15.192, -100.193)  (-54.968,  14.862, -98.350)  ( 0.80,  2.17,  1.84)
    bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
    angle   (-106.663, -42.636, -25.206)  (-106.648, -42.622, -25.203)  ( 0.01,  0.03,  0.01)
    torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
    oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
    vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (180.124, -233.420, -29.354)  (180.172, -233.375, -29.337)  ( 0.03,  0.02,  0.06)
    bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
    angle   (140.245, -196.748, -20.178)  (140.263, -196.736, -20.174)  ( 0.01,  0.01,  0.02)
    torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
    oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
    vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-70.380, 262.490, 104.991)  (-70.330, 262.526, 104.984)  ( 0.07,  0.01,  0.01)
    bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
    angle   (-56.267, 246.053,  44.050)  (-56.263, 246.067,  44.051)  ( 0.01,  0.01,  0.00)
    torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
    oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
    vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-141.053, -268.584, -63.635)  (-140.986, -268.522, -63.698)  ( 0.05,  0.02,  0.10)
    bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
    angle   (-107.430, -185.323, -68.199)  (-107.415, -185.312, -68.197)  ( 0.01,  0.01,  0.00)
    torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
    oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
    vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (117.233, 199.494,  87.161)  (117.270, 199.530,  87.157)  ( 0.03,  0.02,  0.00)
    bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
    angle   (164.068, 155.361, 136.901)  (164.078, 155.371, 136.910)  ( 0.01,  0.01,  0.01)
    torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
    oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
    vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (200.141, -42.555, -426.302)  (199.829, -42.829, -424.949)  ( 0.16,  0.64,  0.32)
    bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
    angle   ( 98.513, -89.094, -160.556)  ( 98.523, -89.091, -160.551)  ( 0.01,  0.00,  0.00)
    torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
    oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
    vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-118.310,  -8.967, 304.832)  (-118.282,  -8.934, 304.869)  ( 0.02,  0.38,  0.01)
    bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
    angle   (-41.665, 156.068,  61.143)  (-41.656, 156.079,  61.154)  ( 0.02,  0.01,  0.02)
    torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( -0.605, -18.383,   7.628)  ( -0.545, -18.328,   7.526)  ( 3.60,  0.30,  1.33)
    bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
    angle   ( 55.828,  22.932,  20.848)  ( 55.838,  22.942,  20.855)  ( 0.02,  0.04,  0.03)
    torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
    oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
    vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (  8.570, -11.299,  -0.682)  (  8.612, -11.256,  -0.712)  ( 0.50,  0.38,  2.00)
    bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
    angle   (-40.902,  22.723,  -1.041)  (-40.893,  22.734,  -1.034)  ( 0.02,  0.04,  0.67)
    torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
    oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
    vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-341.796, -77.302, -35.133)  (-341.753, -77.237, -35.008)  ( 0.01,  0.08,  0.36)
    bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
    angle   (-211.377, -221.153,   8.252)  (-211.361, -221.133,   8.252)  ( 0.01,  0.01,  0.00)
    torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
    oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
    vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-44.691,  -0.006,  -5.779)  (-44.653,   0.035,  -5.747)  ( 0.09,  0.03,  0.56)
    bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
    angle   (-79.994,  44.857, -15.077)  (-79.983,  44.870, -15.077)  ( 0.01,  0.03,  0.00)
    torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
    oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
    vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       ( 94.312,   3.627,   8.222)  ( 94.352,   3.668,   8.258)  ( 0.04,  1.11,  0.44)
    bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
    angle   ( 82.261,  32.463,   3.911)  ( 82.275,  32.472,   3.912)  ( 0.02,  0.03,  0.01)
    torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
    oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
    vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( 24.818, -92.571,  15.074)  ( 24.858, -92.532,  15.089)  ( 0.16,  0.04,  0.10)
    bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
    angle   ( -4.138, -87.419,  12.744)  ( -4.129, -87.406,  12.744)  ( 0.23,  0.01,  0.00)
    torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
    oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
    vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-12.213,  45.557,  -6.955)  (-12.174,  45.599,  -6.918)  ( 0.32,  0.09,  0.53)
    bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
    angle   (-64.406,  60.201, -13.618)  (-64.394,  60.213, -13.618)  ( 0.02,  0.02,  0.00)
    torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
    oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
    vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-45.008, 374.320, -63.055)  (-44.948, 374.361, -63.083)  ( 0.14,  0.01,  0.05)
    bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
    angle   (182.514, 277.577, -24.241)  (182.533, 277.593, -24.241)  ( 0.01,  0.01,  0.00)
    torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
    oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
    vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (208.459, -83.453,  86.899)  (208.556, -83.451,  86.489)  ( 0.05,  0.00,  0.47)
    bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
    angle   (155.077, 159.035, -10.333)  (155.090, 159.053, -10.332)  ( 0.01,  0.01,  0.01)
    torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
    oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
    vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (993.071, 291.394,  79.267)  (993.128, 291.409,  79.050)  ( 0.01,  0.01,  0.27)
    bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
    angle   (862.672, 291.844,  80.070)  (862.688, 291.857,  80.071)  ( 0.00,  0.00,  0.00)
    torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
    oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
    vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (-371.613, -439.858,  27.309)  (-371.591, -439.789,  27.519)  ( 0.01,  0.02,  0.77)
    bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
    angle   (-561.129, -260.086,  -1.108)  (-561.117, -260.079,  -1.108)  ( 0.00,  0.00,  0.03)
    torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
    oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
    vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-777.250, -304.954, -454.480)  (-777.233, -304.909, -454.329)  ( 0.00,  0.01,  0.03)
    bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
    angle   (-563.914, -309.440, -385.099)  (-563.906, -309.438, -385.095)  ( 0.00,  0.00,  0.00)
    torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
    oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
    vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-107.395, 237.410, 258.136)  (-107.379, 237.429, 258.137)  ( 0.02,  0.01,  0.00)
    bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
    angle   ( 53.440, -85.249, 243.859)  ( 53.442, -85.248, 243.861)  ( 0.00,  0.00,  0.00)
    torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (-21.616,  47.077,   2.208)  (-21.608,  47.083,   2.225)  ( 0.03,  0.01,  0.75)
    bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
    angle   (-42.583,  45.981,   0.956)  (-42.581,  45.983,   0.956)  ( 0.01,  0.00,  0.01)
    torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
    oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
    vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( -7.699, -44.596,   4.577)  ( -7.695, -44.582,   4.579)  ( 0.06,  0.03,  0.04)
    bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
    angle   ( -4.451,   0.214,  -4.937)  ( -4.448,   0.214,  -4.934)  ( 0.07,  0.00,  0.05)
    torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (  7.267, -16.135,  48.609)  (  7.272, -16.131,  48.619)  ( 0.07,  0.03,  0.02)
    bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
    angle   (-15.513,  31.047,  -1.906)  (-15.511,  31.049,  -1.905)  ( 0.01,  0.01,  0.04)
    torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( 22.106, -16.836, -49.646)  ( 22.109, -16.829, -49.635)  ( 0.01,  0.04,  0.02)
    bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
    angle   ( -4.921, -42.111,  25.400)  ( -4.919, -42.108,  25.401)  ( 0.03,  0.01,  0.00)
    torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (-32.971,  20.780, -22.865)  (-32.962,  20.786, -22.862)  ( 0.03,  0.03,  0.02)
    bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
    angle   (  4.332,   3.083,  -7.590)  (  4.333,   3.084,  -7.587)  ( 0.03,  0.05,  0.04)
    torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       ( 29.391,  32.363,   5.584)  ( 29.399,  32.369,   5.588)  ( 0.03,  0.02,  0.07)
    bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
    angle   (  2.194,  -0.127,  -6.372)  (  2.195,  -0.125,  -6.369)  ( 0.04,  0.02,  0.05)
    torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 24.103,  -8.778,  24.178)  ( 24.110,  -8.771,  24.183)  ( 0.03,  0.07,  0.02)
    bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
    angle   ( -9.745, -30.651, -14.688)  ( -9.744, -30.649, -14.687)  ( 0.01,  0.01,  0.01)
    torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( 15.748,  15.485, -36.923)  ( 15.752,  15.489, -36.913)  ( 0.03,  0.02,  0.03)
    bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
    angle   ( -3.704,  -4.122,  -4.254)  ( -3.702,  -4.120,  -4.253)  ( 0.05,  0.04,  0.03)
    torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-18.937,  28.983,  24.423)  (-18.933,  28.991,  24.428)  ( 0.02,  0.03,  0.02)
    bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
    angle   (-26.266,  -2.230, -13.074)  (-26.263,  -2.229, -13.073)  ( 0.01,  0.04,  0.01)
    torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (-22.872, -33.260, -28.499)  (-22.864, -33.251, -28.497)  ( 0.03,  0.03,  0.01)
    bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
    angle   ( 18.510, -15.990,  -1.671)  ( 18.511, -15.989,  -1.669)  ( 0.01,  0.01,  0.11)
    torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (-12.511,   7.191,  43.667)  (-12.508,   7.196,  43.677)  ( 0.03,  0.07,  0.02)
    bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
    angle   ( 16.132,   4.737,   2.925)  ( 16.134,   4.739,   2.926)  ( 0.01,  0.03,  0.03)
    torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       ( 10.962,  44.620, -21.853)  ( 10.965,  44.626, -21.843)  ( 0.02,  0.01,  0.04)
    bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
    angle   ( 11.280,   2.411,   1.266)  ( 11.282,   2.412,   1.266)  ( 0.02,  0.05,  0.05)
    torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       ( -0.896,  -5.183,  -0.671)  ( -0.889,  -5.170,  -0.657)  ( 0.63,  0.24,  0.93)
    bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
    angle   (  2.193,  -1.582,   0.515)  (  2.196,  -1.580,   0.515)  ( 0.12,  0.08,  0.00)
    torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
    oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
    vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (-26.256,   5.845,  -5.168)  (-26.242,   5.849,  -5.164)  ( 0.06,  0.07,  0.08)
    bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
    angle   (  0.251,   1.735,  -0.238)  (  0.252,   1.739,  -0.238)  ( 0.00,  0.22,  0.00)
    torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
    oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
    vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (-14.675,  22.955,  -4.944)  (-14.670,  22.969,  -4.933)  ( 0.04,  0.06,  0.22)
    bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
    angle   ( -2.762,  -1.267,  -0.113)  ( -2.758,  -1.266,  -0.113)  ( 0.12,  0.05,  0.00)
    torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
    oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
    vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (  1.683,   4.565,   2.503)  (  1.690,   4.578,   2.523)  ( 0.40,  0.29,  0.77)
    bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
    angle   ( -0.228,   0.171,   0.010)  ( -0.225,   0.173,   0.010)  ( 0.06,  0.02,  0.00)
    torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
    oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
    vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (345.604, -95.591, -20.691)  (345.591, -95.536, -20.440)  ( 0.00,  0.06,  1.21)
    bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
    angle   ( 41.826, -10.883,   7.585)  ( 41.830, -10.883,   7.585)  ( 0.01,  0.00,  0.00)
    torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
    oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
    vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 2 # gradients 
ok 3 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (  2.774,  15.045,  -2.448)  (  2.809,  15.078,  -2.429)  ( 1.26,  0.22,  0.80)
    bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
    angle   (-33.910,  15.822,  -8.448)  (-33.904,  15.833,  -8.447)  ( 0.02,  0.07,  0.00)
    torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
    oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (150.282, -55.643, -673.709)  (151.995, -55.602, -653.079)  ( 1.14,  0.07,  3.06)
    bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
    angle   ( 48.283, -30.588,  11.714)  ( 48.291, -30.575,  11.716)  ( 0.02,  0.04,  0.02)
    torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
    oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( 11.402,  -5.513,   2.876)  ( 11.409,  -5.502,   2.880)  ( 0.06,  0.20,  0.15)
    bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
    angle   ( 13.159,  -9.294,   3.177)  ( 13.161,  -9.293,   3.177)  ( 0.02,  0.01,  0.00)
    torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
    oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 13.572,   5.572,   3.704)  ( 13.578,   5.584,   3.708)  ( 0.04,  0.22,  0.11)
    bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
    angle   ( 21.783,  12.068,   6.138)  ( 21.785,  12.069,   6.138)  ( 0.01,  0.01,  0.00)
    torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
    oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-16.601, -11.201,  -0.421)  (-16.595, -11.188,  -0.415)  ( 0.04,  0.11,  0.23)
    bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
    angle   (-19.782, -10.287,  -5.550)  (-19.779, -10.286,  -5.550)  ( 0.01,  0.01,  0.00)
    torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
    oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-371.399,  47.116, 1341.626)  (-363.046,  47.183, 1443.732)  ( 2.25,  0.14,  7.61)
    bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
    angle   (-25.287,  18.953,  -5.949)  (-25.279,  18.957,  -5.940)  ( 0.03,  0.02,  0.15)
    torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
    oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (197.318,   4.411, -825.348)  (199.850,   4.447, -794.397)  ( 1.28,  0.82,  3.75)
    bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
    angle   ( -4.278,   3.293,  -1.097)  ( -4.276,   3.294,  -1.094)  ( 0.04,  0.03,  0.25)
    torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 4 # gradients 
ok 5 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 40.817,  79.779, -134.347)  ( 40.846,  79.796, -134.323)  ( 0.07,  0.02,  0.02)
    bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
    angle   (-25.265,  63.479, -109.441)  (-25.255,  63.487, -109.430)  ( 0.04,  0.01,  0.01)
    torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
    oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
    vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-74.063, -136.414, 226.484)  (-74.008, -136.294, 226.587)  ( 0.07,  0.09,  0.05)
    bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
    angle   (-98.375, -106.012, 182.895)  (-98.351, -106.008, 182.906)  ( 0.02,  0.00,  0.01)
    torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
    oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-31.256,  -2.182,   1.385)  (-31.241,  -2.191,   1.397)  ( 0.05,  0.42,  0.84)
    bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
    angle   (-20.029,   5.081,  -8.903)  (-20.021,   5.081,  -8.901)  ( 0.04,  0.01,  0.02)
    torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
    oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
    vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 90.429, 127.540, -194.600)  ( 90.480, 127.378, -194.665)  ( 0.06,  0.13,  0.03)
    bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
    angle   (168.224,  40.912, -70.466)  (168.240,  40.914, -70.458)  ( 0.01,  0.01,  0.01)
    torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
    oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
    vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-59.906, -45.865,  66.691)  (-59.897, -45.788,  66.747)  ( 0.01,  0.17,  0.08)
    bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
    angle   (-36.769,   8.896, -15.051)  (-36.765,   8.896, -15.050)  ( 0.01,  0.00,  0.00)
    torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
    oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
    vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( 90.544, -15.822,  22.117)  ( 90.566, -15.767,  22.152)  ( 0.03,  0.35,  0.15)
    bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
    angle   (  1.149,  -9.276,  15.640)  (  1.149,  -9.274,  15.644)  ( 0.00,  0.01,  0.02)
    torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
    oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
    vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-15.532, -45.793,   3.728)  (-15.528, -45.780,   3.730)  ( 0.02,  0.03,  0.07)
    bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
    angle   (  3.750,  -1.018,   3.911)  (  3.753,  -1.018,   3.913)  ( 0.07,  0.02,  0.05)
    torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-15.773,  19.736,  41.433)  (-15.769,  19.741,  41.444)  ( 0.02,  0.02,  0.03)
    bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
    angle   (  3.824,  -2.906,   2.854)  (  3.827,  -2.905,   2.855)  ( 0.06,  0.05,  0.02)
    torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-25.453,  18.899, -33.079)  (-25.448,  18.904, -33.069)  ( 0.02,  0.03,  0.03)
    bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
    angle   (  3.421,   0.825,  -1.479)  (  3.423,   0.827,  -1.478)  ( 0.06,  0.13,  0.06)
    torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 6 # gradients 
ok 7 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-127.019, 249.308, -127.877)  (-126.983, 249.340, -127.847)  ( 0.03,  0.01,  0.02)
    bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
    angle   ( 68.435,  71.972,  -4.140)  ( 68.446,  71.983,  -4.131)  ( 0.02,  0.02,  0.22)
    torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (106.171, -158.293,  62.083)  (106.172, -158.220,  62.204)  ( 0.00,  0.05,  0.19)
    bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
    angle   (-76.996,   2.361, -36.546)  (-76.994,   2.373, -36.541)  ( 0.00,  0.49,  0.01)
    torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
    oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( 22.763, -52.124, -14.739)  ( 22.767, -52.111, -14.736)  ( 0.02,  0.03,  0.02)
    bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
    angle   (-29.021,   2.997,  -8.682)  (-29.019,   2.997,  -8.680)  ( 0.01,  0.00,  0.03)
    torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 42.977,  11.993,  -5.310)  ( 42.988,  11.997,  -5.306)  ( 0.03,  0.03,  0.07)
    bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
    angle   (  5.846,  -5.938,   7.800)  (  5.847,  -5.936,   7.802)  ( 0.02,  0.04,  0.03)
    torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (  0.357,  -0.739,  47.238)  (  0.359,  -0.736,  47.252)  ( 0.10,  0.18,  0.03)
    bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
    angle   ( -1.719,  -6.755,   1.118)  ( -1.716,  -6.753,   1.118)  ( 0.17,  0.04,  0.01)
    torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( 85.094, -101.631,  95.321)  ( 85.278, -101.780,  94.911)  ( 0.22,  0.15,  0.43)
    bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
    angle   ( 98.254, -100.443,  75.841)  ( 98.263, -100.425,  75.843)  ( 0.01,  0.02,  0.00)
    torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
    oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
    vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 38.600,  45.157,  -6.945)  ( 38.568,  45.250,  -6.751)  ( 0.08,  0.21,  2.79)
    bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
    angle   ( 29.235,  49.322, -12.660)  ( 29.237,  49.327, -12.659)  ( 0.01,  0.01,  0.00)
    torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
    oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
    vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-169.118,   6.189, -49.859)  (-169.150,   6.259, -49.726)  ( 0.02,  1.15,  0.27)
    bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
    angle   (-94.068, -13.566, -22.752)  (-94.064, -13.566, -22.752)  ( 0.01,  0.00,  0.00)
    torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
    oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
    vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 8 # gradients 
ok 9 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 80.143, -114.647, 199.160)  ( 75.297, -107.699, 187.217)  ( 6.05,  6.06,  6.00)
    bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
    angle   (-31.951,  44.007, -76.054)  (-31.942,  44.016, -76.044)  ( 0.03,  0.02,  0.01)
    torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
    oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-197.773,  -4.119,   6.965)  (-197.735,  -6.681,  11.484)  ( 0.02, 62.18, 64.89)
    bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
    angle   ( -0.048, -16.539,  28.573)  ( -0.038, -16.528,  28.582)  ( 0.05,  0.06,  0.03)
    torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
    vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( 35.293, 182.911,   6.929)  ( 37.769, 182.083,  11.449)  ( 7.02,  0.45, 65.23)
    bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
    angle   ( 16.035,  -5.824,  28.595)  ( 16.046,  -5.814,  28.604)  ( 0.07,  0.18,  0.03)
    torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
    oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
    vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 34.424, -97.432, -155.442)  ( 36.899, -100.854, -152.416)  ( 7.19,  3.51,  1.95)
    bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
    angle   ( 15.679, -21.735,  18.959)  ( 15.689, -21.725,  18.968)  ( 0.07,  0.05,  0.05)
    torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
    oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
    vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( 31.645,  91.504,   0.055)  ( 31.651,  91.517,   0.057)  ( 0.02,  0.01,  0.01)
    bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
    angle   ( -0.314,  -0.110,  -0.028)  ( -0.311,  -0.110,  -0.027)  ( 0.09,  0.00,  0.01)
    torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-28.215, -39.952,  69.373)  (-28.210, -39.948,  69.383)  ( 0.02,  0.01,  0.01)
    bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
    angle   (  0.126,   0.061,   0.088)  (  0.128,   0.063,   0.089)  ( 0.04,  0.01,  0.01)
    torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 32.884, -45.902, -79.596)  ( 32.891, -45.897, -79.586)  ( 0.02,  0.01,  0.01)
    bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
    angle   (  0.218,   0.068,  -0.131)  (  0.221,   0.070,  -0.130)  ( 0.06,  0.01,  0.01)
    torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( 81.326,  -9.597,  -5.835)  ( 81.340,  -9.593,  -5.832)  ( 0.02,  0.04,  0.04)
    bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
    angle   (  0.000,   0.386,  -0.042)  (  0.000,   0.389,  -0.040)  ( 0.00,  0.13,  0.01)
    torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-38.410,  31.443,  64.240)  (-38.406,  31.449,  64.250)  ( 0.01,  0.02,  0.02)
    bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
    angle   (  0.069,  -0.111,   0.091)  (  0.071,  -0.109,   0.092)  ( 0.01,  0.03,  0.01)
    torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-37.055,  19.013, -66.654)  (-37.051,  19.019, -66.644)  ( 0.01,  0.03,  0.02)
    bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
    angle   (  0.059,  -0.198,  -0.139)  (  0.061,  -0.196,  -0.138)  ( 0.01,  0.05,  0.01)
    torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       ( 81.329,   9.804,   5.428)  ( 81.343,   9.807,   5.431)  ( 0.02,  0.03,  0.06)
    bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
    angle   ( -0.000,  -0.198,  -0.281)  ( -0.000,  -0.196,  -0.278)  ( 0.00,  0.04,  0.08)
    torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-37.253,  48.140, -49.891)  (-37.249,  48.146, -49.880)  ( 0.01,  0.01,  0.02)
    bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
    angle   (  0.044,   0.148,   0.067)  (  0.045,   0.150,   0.068)  ( 0.01,  0.03,  0.01)
    torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-38.543, -71.364,   5.083)  (-38.539, -71.351,   5.086)  ( 0.01,  0.02,  0.07)
    bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
    angle   (  0.028,  -0.011,   0.251)  (  0.030,  -0.010,   0.254)  ( 0.01,  0.00,  0.07)
    torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 10 # gradients 
ok 11 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-455.935, 644.261, -1116.002)  (-421.487, 595.555, -1031.623)  ( 7.56,  7.56,  7.56)
    bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
    angle   (-114.098, 160.650, -278.199)  (-114.093, 160.655, -278.193)  ( 0.00,  0.00,  0.00)
    torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
    oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
    vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (909.381, -93.137, 161.140)  (909.406, -74.842, 129.521)  ( 0.00, 19.64, 19.62)
    bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
    angle   ( -0.045, -60.301, 104.379)  ( -0.037, -60.294, 104.386)  ( 0.04,  0.01,  0.01)
    torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
    vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-250.622, -890.276, 161.139)  (-267.819, -884.151, 129.520)  ( 6.86,  0.69, 19.62)
    bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
    angle   ( 57.005, -20.291, 104.400)  ( 57.013, -20.283, 104.407)  ( 0.01,  0.04,  0.01)
    torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
    oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
    vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-250.777, 305.902, 851.331)  (-267.959, 330.276, 830.273)  ( 6.85,  7.97,  2.47)
    bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
    angle   ( 56.792, -80.158,  69.464)  ( 56.800, -80.151,  69.472)  ( 0.01,  0.01,  0.01)
    torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
    oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
    vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( 31.740,  91.538,   0.053)  ( 31.746,  91.551,   0.055)  ( 0.02,  0.01,  0.01)
    bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
    angle   ( -0.218,  -0.077,  -0.028)  ( -0.216,  -0.077,  -0.027)  ( 0.05,  0.00,  0.01)
    torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-28.244, -39.942,  69.367)  (-28.241, -39.937,  69.377)  ( 0.01,  0.01,  0.01)
    bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
    angle   (  0.096,   0.067,   0.079)  (  0.098,   0.068,   0.080)  ( 0.02,  0.01,  0.01)
    torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 32.819, -45.898, -79.571)  ( 32.825, -45.894, -79.561)  ( 0.02,  0.01,  0.01)
    bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
    angle   (  0.153,   0.080,  -0.111)  (  0.155,   0.081,  -0.110)  ( 0.03,  0.01,  0.01)
    torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( 81.326,  -9.705,  -5.837)  ( 81.340,  -9.702,  -5.834)  ( 0.02,  0.03,  0.04)
    bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
    angle   (  0.000,   0.278,  -0.042)  (  0.000,   0.280,  -0.040)  ( 0.00,  0.07,  0.01)
    torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-38.402,  31.457,  64.236)  (-38.398,  31.462,  64.246)  ( 0.01,  0.02,  0.02)
    bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
    angle   (  0.077,  -0.097,   0.087)  (  0.079,  -0.096,   0.087)  ( 0.01,  0.02,  0.01)
    torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-37.021,  19.055, -66.644)  (-37.017,  19.061, -66.634)  ( 0.01,  0.03,  0.02)
    bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
    angle   (  0.085,  -0.152,  -0.123)  (  0.087,  -0.150,  -0.122)  ( 0.01,  0.03,  0.01)
    torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       ( 81.329,   9.864,   5.507)  ( 81.343,   9.867,   5.510)  ( 0.02,  0.03,  0.05)
    bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
    angle   ( -0.000,  -0.149,  -0.196)  ( -0.000,  -0.147,  -0.193)  ( 0.00,  0.03,  0.04)
    torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-37.252,  48.116, -49.906)  (-37.248,  48.121, -49.895)  ( 0.01,  0.01,  0.02)
    bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
    angle   (  0.056,   0.131,   0.052)  (  0.058,   0.133,   0.053)  ( 0.01,  0.02,  0.00)
    torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-38.496, -71.380,   5.042)  (-38.492, -71.367,   5.045)  ( 0.01,  0.02,  0.05)
    bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
    angle   (  0.056,  -0.021,   0.199)  (  0.058,  -0.020,   0.201)  ( 0.01,  0.00,  0.04)
    torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 12 # gradients 
ok 13 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-23.882,  -2.522,   2.862)  (-23.839,  -2.492,   2.908)  ( 0.18,  1.19,  1.62)
    bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
    angle   (  8.693,  10.067,   2.440)  (  8.707,  10.076,   2.442)  ( 0.16,  0.08,  0.05)
    torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
    oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
    vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (  5.223,  19.303,  11.346)  (  5.252,  19.385,  11.243)  ( 0.57,  0.42,  0.90)
    bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
    angle   (  5.504, -16.496,  -6.080)  (  5.515, -16.484,  -6.079)  ( 0.19,  0.07,  0.03)
    torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
    oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
    vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (  1.349,  55.212,  22.804)  (  1.405,  55.185,  23.019)  ( 4.20,  0.05,  0.94)
    bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
    angle   ( 19.018,  43.951,  14.591)  ( 19.030,  43.962,  14.593)  ( 0.06,  0.03,  0.01)
    torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
    oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
    vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-26.219,  -2.825, -19.750)  (-26.139,  -3.576, -18.970)  ( 0.31, 26.62,  3.95)
    bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
    angle   (-29.669, -24.819,  20.012)  (-29.652, -24.804,  20.017)  ( 0.06,  0.06,  0.02)
    torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
    oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
    vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-31.417, -44.758,  35.085)  (-31.419, -44.526,  34.566)  ( 0.01,  0.52,  1.48)
    bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
    angle   (-14.993,  -7.275,  -1.283)  (-14.981,  -7.263,  -1.281)  ( 0.08,  0.16,  0.14)
    torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
    oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
    vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-11.887, -27.926, -13.016)  (-11.842, -27.913, -12.931)  ( 0.38,  0.05,  0.66)
    bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
    angle   (-13.039,  -1.220,   0.886)  (-13.028,  -1.208,   0.887)  ( 0.08,  0.95,  0.12)
    torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
    oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
    vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-24.625,  -1.708, 337.506)  (-24.379,  -0.324, 336.158)  ( 1.00, 81.00,  0.40)
    bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
    angle   (-40.043,  18.560,  41.229)  (-40.028,  18.570,  41.239)  ( 0.04,  0.05,  0.02)
    torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
    oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
    vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( -2.523, -139.241, -335.118)  ( -2.624, -137.441, -335.741)  ( 4.02,  1.29,  0.19)
    bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
    angle   (146.188, -63.932, -61.876)  (146.213, -63.925, -61.867)  ( 0.02,  0.01,  0.02)
    torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
    oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
    vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-37.157,  25.796, -119.701)  (-37.088,  24.743, -119.093)  ( 0.19,  4.08,  0.51)
    bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
    angle   (-95.025, -20.565, -24.739)  (-95.016, -20.565, -24.738)  ( 0.01,  0.00,  0.00)
    torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
    oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
    vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( 96.405,   3.270,  73.332)  ( 96.404,   2.623,  73.376)  ( 0.00, 19.80,  0.06)
    bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
    angle   (-189.077,  63.800, -68.438)  (-189.062,  63.812, -68.434)  ( 0.01,  0.02,  0.01)
    torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
    oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
    vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (222.135, -204.290,  64.063)  (222.189, -204.060,  64.733)  ( 0.02,  0.11,  1.05)
    bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
    angle   (115.896, -88.497, 165.330)  (115.912, -88.481, 165.332)  ( 0.01,  0.02,  0.00)
    torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
    oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
    vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-96.504, -116.461,  39.082)  (-96.447, -116.451,  38.968)  ( 0.06,  0.01,  0.29)
    bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
    angle   ( 97.818, -101.482,  -7.157)  ( 97.833, -101.464,  -7.154)  ( 0.02,  0.02,  0.04)
    torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
    oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
    vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (  1.894, 285.449, -74.814)  (  1.920, 285.529, -74.537)  ( 1.42,  0.03,  0.37)
    bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
    angle   ( 57.143,  76.419, -43.966)  ( 57.159,  76.433, -43.965)  ( 0.03,  0.02,  0.00)
    torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
    oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
    vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       ( 90.682, 147.346, 111.483)  ( 90.721, 147.386, 110.775)  ( 0.04,  0.03,  0.64)
    bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
    angle   (240.870,  36.428,  80.329)  (240.885,  36.443,  80.328)  ( 0.01,  0.04,  0.00)
    torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
    oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
    vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (-101.125, -89.356,  26.795)  (-101.011, -89.310,  27.669)  ( 0.11,  0.05,  3.26)
    bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
    angle   (-145.520, -98.146,  -4.180)  (-145.505, -98.132,  -4.180)  ( 0.01,  0.01,  0.01)
    torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
    oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
    vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-71.336,  -0.446,  32.341)  (-71.325,  -0.396,  32.102)  ( 0.02,  2.23,  0.74)
    bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
    angle   (-68.076,  41.355,   8.506)  (-68.064,  41.367,   8.506)  ( 0.02,  0.03,  0.00)
    torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
    oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
    vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-38.138,   1.881,  26.694)  (-38.095,   1.919,  26.730)  ( 0.11,  1.99,  0.13)
    bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
    angle   (  4.140, -25.329,  -4.488)  (  4.153, -25.319,  -4.488)  ( 0.32,  0.04,  0.00)
    torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
    oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
    vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       ( -7.324, -14.944,   4.627)  ( -7.295, -14.893,   4.543)  ( 0.39,  0.34,  1.82)
    bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
    angle   ( 23.013,  17.969,  -0.131)  ( 23.022,  17.983,  -0.130)  ( 0.04,  0.08,  0.00)
    torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
    oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
    vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( 13.317,  19.821,   5.232)  ( 13.367,  19.850,   5.373)  ( 0.37,  0.15,  2.69)
    bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
    angle   (-52.008,  14.679,   6.793)  (-51.996,  14.690,   6.793)  ( 0.02,  0.08,  0.00)
    torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
    oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
    vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( 82.376,   0.328,   2.481)  ( 82.406,   0.365,   2.447)  ( 0.04,  1.20,  1.37)
    bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
    angle   (111.542,   0.319, -13.383)  (111.556,   0.329, -13.383)  ( 0.01,  0.33,  0.00)
    torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
    oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
    vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-63.206,  19.690,  99.216)  (-63.164,  19.640,  98.966)  ( 0.07,  0.25,  0.25)
    bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
    angle   (-97.678,  86.202, -125.574)  (-97.663,  86.214, -125.565)  ( 0.01,  0.01,  0.01)
    torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
    oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
    vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( 13.089, -26.040,  19.276)  ( 13.117, -26.012,  19.304)  ( 0.22,  0.11,  0.15)
    bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
    angle   (-69.023, -16.641,  56.905)  (-69.015, -16.632,  56.914)  ( 0.01,  0.05,  0.02)
    torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( 30.279, -21.928,   6.499)  ( 30.309, -21.900,   6.527)  ( 0.10,  0.13,  0.44)
    bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
    angle   (101.364,   2.074,  -2.429)  (101.374,   2.083,  -2.420)  ( 0.01,  0.41,  0.34)
    torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (-57.297,  66.145, -59.593)  (-57.256,  66.180, -59.576)  ( 0.07,  0.05,  0.03)
    bond    ( -1.423, -127.289,  25.653)  ( -1.396, -127.270,  25.672)  ( 1.85,  0.02,  0.07)
    angle   (-71.687, 224.385, -61.119)  (-71.674, 224.401, -61.111)  ( 0.02,  0.01,  0.01)
    torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
    oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
    vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( -8.421,  10.711, -14.021)  ( -8.387,  10.744, -13.990)  ( 0.40,  0.31,  0.22)
    bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
    angle   (-40.395, -151.200,   4.675)  (-40.384, -151.188,   4.685)  ( 0.03,  0.01,  0.22)
    torsion ( -2.346,  -4.745,  -0.756)  ( -2.345,  -4.743,  -0.754)  ( 0.03,  0.03,  0.21)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 56.013,  65.145,  -7.403)  ( 56.015,  65.146,  -7.403)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (-63.941,  59.729, 152.090)  (-63.907,  59.767, 152.130)  ( 0.05,  0.06,  0.03)
    bond    ( 23.914, -31.082, 126.884)  ( 23.934, -31.059, 126.909)  ( 0.08,  0.07,  0.02)
    angle   (-77.913, 105.610,  -9.343)  (-77.899, 105.625,  -9.329)  ( 0.02,  0.01,  0.15)
    torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.395,  -7.642,   1.790)  ( -5.394,  -7.642,   1.790)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( -2.890,  30.403,  32.390)  ( -2.857,  30.434,  32.421)  ( 1.14,  0.10,  0.10)
    bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
    angle   (-14.350, -75.155, -16.313)  (-14.339, -75.143, -16.302)  ( 0.08,  0.02,  0.07)
    torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (-23.110, -88.986, 248.990)  (-23.072, -88.952, 249.031)  ( 0.16,  0.04,  0.02)
    bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
    angle   (-59.892,   2.431,  65.358)  (-59.877,   2.444,  65.371)  ( 0.03,  0.56,  0.02)
    torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       (120.808, 137.690,   6.652)  (120.579, 138.078,   6.865)  ( 0.19,  0.28,  3.20)
    bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
    angle   ( 32.844,  62.325, -10.145)  ( 32.855,  62.335, -10.131)  ( 0.03,  0.02,  0.14)
    torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
    oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
    vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (-622.526, -295.094, -606.595)  (-620.538, -297.590, -607.831)  ( 0.32,  0.85,  0.20)
    bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
    angle   (-394.007, -367.243,   3.862)  (-393.993, -367.234,   3.871)  ( 0.00,  0.00,  0.23)
    torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
    oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
    vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (248.516, -24.936, 322.976)  (247.661, -23.821, 323.574)  ( 0.34,  4.47,  0.19)
    bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
    angle   (237.852, 131.397, 104.731)  (237.857, 131.399, 104.732)  ( 0.00,  0.00,  0.00)
    torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
    oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
    vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (708.865, 252.367, -17.687)  (708.052, 253.429, -17.127)  ( 0.11,  0.42,  3.17)
    bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
    angle   (179.619, 203.531, -125.425)  (179.622, 203.534, -125.425)  ( 0.00,  0.00,  0.00)
    torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
    oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
    vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       ( 68.984, -142.013, -11.258)  ( 68.989, -141.981, -11.233)  ( 0.01,  0.02,  0.22)
    bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
    angle   ( 72.722, -18.965,  64.024)  ( 72.726, -18.962,  64.032)  ( 0.01,  0.01,  0.01)
    torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (-57.917,  58.587, -138.313)  (-57.885,  58.592, -138.287)  ( 0.05,  0.01,  0.02)
    bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
    angle   ( 10.839,   1.020,   6.741)  ( 10.844,   1.024,   6.747)  ( 0.05,  0.32,  0.08)
    torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       ( 12.885,  -1.389,  -9.225)  ( 12.902,  -1.390,  -9.204)  ( 0.13,  0.09,  0.23)
    bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
    angle   ( -0.177,  -3.549,  -1.209)  ( -0.177,  -3.545,  -1.208)  ( 0.00,  0.10,  0.03)
    torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
    oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
    vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (  1.825, -16.972,   4.250)  (  1.834, -16.972,   4.291)  ( 0.50,  0.00,  0.97)
    bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
    angle   ( -4.626,  -2.349,  -0.434)  ( -4.623,  -2.349,  -0.434)  ( 0.07,  0.03,  0.00)
    torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
    oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
    vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (-13.958, -16.013,   2.773)  (-13.956, -15.980,   2.713)  ( 0.02,  0.21,  2.14)
    bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
    angle   ( 15.680,  -8.602,  -4.155)  ( 15.682,  -8.602,  -4.155)  ( 0.02,  0.01,  0.01)
    torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
    oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
    vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (  1.320,  15.986, -15.015)  (  1.342,  15.923, -14.784)  ( 1.70,  0.40,  1.54)
    bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
    angle   ( 12.384,   6.119,   1.077)  ( 12.388,   6.120,   1.077)  ( 0.03,  0.01,  0.00)
    torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
    oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
    vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (  7.494,  16.826, -20.405)  (  7.506,  16.823, -20.355)  ( 0.17,  0.02,  0.25)
    bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
    angle   (  2.829,  -1.635,  -0.883)  (  2.832,  -1.634,  -0.883)  ( 0.10,  0.06,  0.02)
    torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
    oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
    vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       ( 33.538,  17.009, -149.328)  ( 33.462,  16.329, -148.601)  ( 0.23,  4.00,  0.49)
    bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
    angle   (-25.439,  -1.646, -15.397)  (-25.435,  -1.646, -15.396)  ( 0.02,  0.03,  0.01)
    torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
    oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
    vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       (-64.048, -67.479, -57.460)  (-64.026, -67.483, -57.562)  ( 0.03,  0.01,  0.18)
    bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
    angle   (-37.087, -62.803,   5.705)  (-37.086, -62.799,   5.705)  ( 0.00,  0.01,  0.00)
    torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
    oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
    vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       ( 11.431,  -0.049, -50.550)  ( 11.446,  -0.043, -50.518)  ( 0.13,  0.03,  0.06)
    bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
    angle   ( 18.713,  27.847,   0.366)  ( 18.714,  27.850,   0.366)  ( 0.01,  0.01,  0.00)
    torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
    oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
    vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       ( 12.355,   5.695,  17.720)  ( 12.370,   5.700,  17.736)  ( 0.12,  0.08,  0.09)
    bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
    angle   ( -1.250,   2.963,   0.424)  ( -1.249,   2.966,   0.424)  ( 0.05,  0.11,  0.00)
    torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
    oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
    vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       ( -4.395,  11.262,  10.383)  ( -4.388,  11.274,  10.417)  ( 0.16,  0.11,  0.33)
    bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
    angle   ( -6.585,   0.753,   0.738)  ( -6.581,   0.753,   0.738)  ( 0.06,  0.00,  0.00)
    torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
    oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
    vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       (-18.748,   1.023, -12.320)  (-18.742,   1.035, -12.370)  ( 0.03,  1.24,  0.41)
    bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
    angle   ( -5.067,  -6.931,  -0.131)  ( -5.066,  -6.928,  -0.131)  ( 0.03,  0.04,  0.00)
    torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
    oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
    vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
46       (-28.460, -54.925, -18.592)  (-28.453, -54.912, -18.642)  ( 0.03,  0.02,  0.26)
    bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
    angle   (-14.937,  43.505,   5.045)  (-14.937,  43.508,   5.045)  ( 0.00,  0.01,  0.00)
    torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
    oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
    vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
47       (-26.351,  24.960, -28.905)  (-26.345,  24.964, -28.893)  ( 0.02,  0.02,  0.04)
    bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
    angle   ( -6.926,   8.123,   2.105)  ( -6.924,   8.126,   2.106)  ( 0.04,  0.04,  0.03)
    torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       (-24.824, -25.059,   1.907)  (-24.813, -25.053,   1.910)  ( 0.05,  0.02,  0.13)
    bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
    angle   ( 15.233, -29.979,  -3.611)  ( 15.234, -29.977,  -3.608)  ( 0.00,  0.01,  0.06)
    torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       ( 36.271,  11.989,  38.996)  ( 36.274,  11.991,  39.009)  ( 0.01,  0.02,  0.03)
    bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
    angle   ( 16.933, -15.116,  -5.169)  ( 16.936, -15.114,  -5.168)  ( 0.01,  0.01,  0.00)
    torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       (-30.049,  33.093, -18.463)  (-30.045,  33.106, -18.460)  ( 0.01,  0.04,  0.02)
    bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
    angle   ( 31.339,   1.976, -12.354)  ( 31.342,   1.976, -12.352)  ( 0.01,  0.01,  0.02)
    torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       (-10.015,  12.715, -43.629)  (-10.007,  12.720, -43.621)  ( 0.08,  0.04,  0.02)
    bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
    angle   ( -1.838, -33.614,  10.537)  ( -1.836, -33.611,  10.538)  ( 0.07,  0.01,  0.01)
    torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       (-12.417,  31.691, -26.146)  (-12.412,  31.702, -26.142)  ( 0.04,  0.03,  0.01)
    bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
    angle   (-25.812,  -9.459,   7.399)  (-25.810,  -9.459,   7.400)  ( 0.01,  0.01,  0.02)
    torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       (  4.847,  13.944,  39.054)  (  4.853,  13.947,  39.064)  ( 0.12,  0.02,  0.03)
    bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
    angle   ( -3.597, -26.186,   8.363)  ( -3.595, -26.184,   8.364)  ( 0.04,  0.01,  0.01)
    torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       ( 72.340,  -0.057, -14.961)  ( 72.346,  -0.050, -14.949)  ( 0.01,  0.04,  0.08)
    bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
    angle   ( 13.335,  29.954,  13.772)  ( 13.339,  29.956,  13.772)  ( 0.03,  0.01,  0.00)
    torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       ( 42.287,  21.119,  39.745)  ( 42.292,  21.128,  39.754)  ( 0.01,  0.04,  0.02)
    bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
    angle   ( 34.132,  14.155, -12.104)  ( 34.136,  14.156, -12.103)  ( 0.01,  0.01,  0.01)
    torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       ( 20.965, -16.540,  38.085)  ( 20.970, -16.534,  38.096)  ( 0.02,  0.04,  0.03)
    bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
    angle   ( -7.279,  -1.303,  -1.119)  ( -7.276,  -1.301,  -1.118)  ( 0.04,  0.13,  0.05)
    torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       ( -9.597, -10.453, -51.689)  ( -9.593, -10.445, -51.680)  ( 0.05,  0.08,  0.02)
    bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
    angle   (  2.711,   3.622,  -3.220)  (  2.714,   3.623,  -3.219)  ( 0.12,  0.03,  0.03)
    torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       (  7.953,  -8.678, -82.470)  (  7.957,  -8.670, -82.458)  ( 0.04,  0.10,  0.01)
    bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
    angle   ( -6.113,  -6.750,  -5.368)  ( -6.110,  -6.748,  -5.367)  ( 0.05,  0.03,  0.03)
    torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       ( 15.787, -54.589,  11.267)  ( 15.791, -54.581,  11.276)  ( 0.03,  0.01,  0.08)
    bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
    angle   ( -0.504,   6.676,   6.070)  ( -0.501,   6.677,   6.071)  ( 0.16,  0.02,  0.02)
    torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       (-21.216,  -1.249, -45.413)  (-21.211,  -1.244, -45.402)  ( 0.02,  0.41,  0.02)
    bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
    angle   ( 19.809,  -0.678,  -1.308)  ( 19.812,  -0.677,  -1.307)  ( 0.02,  0.11,  0.04)
    torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
61       (-36.031,  29.276, -84.256)  (-36.027,  29.288, -84.251)  ( 0.01,  0.04,  0.01)
    bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
    angle   ( -5.044,  -7.513, -24.736)  ( -5.041,  -7.513, -24.732)  ( 0.06,  0.00,  0.01)
    torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
62       (-14.759, -63.089, -11.486)  (-14.755, -63.078, -11.482)  ( 0.03,  0.02,  0.04)
    bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
    angle   ( -8.368,   5.785,  17.449)  ( -8.365,   5.785,  17.451)  ( 0.03,  0.01,  0.01)
    torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
63       (-27.932,  30.243, -47.722)  (-27.927,  30.247, -47.710)  ( 0.02,  0.01,  0.03)
    bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
    angle   (-17.350,  11.540,   4.243)  (-17.348,  11.542,   4.243)  ( 0.01,  0.02,  0.01)
    torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
64       ( 12.124,  97.022, -25.557)  ( 12.124,  97.044, -25.552)  ( 0.00,  0.02,  0.02)
    bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
    angle   (  2.080, -11.564, -42.703)  (  2.079, -11.564, -42.699)  ( 0.00,  0.00,  0.01)
    torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
65       (-284.601,  11.002, 334.246)  (-284.570,  11.001, 334.257)  ( 0.01,  0.00,  0.00)
    bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
    angle   ( -0.335,   0.694,  -9.928)  ( -0.335,   0.694,  -9.924)  ( 0.00,  0.00,  0.04)
    torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 14 # gradients 
ok 15 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (294.018, 177.694,  42.135)  (293.940, 177.327,  42.833)  ( 0.03,  0.21,  1.66)
    bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
    angle   (282.755, 134.268, 116.134)  (282.769, 134.279, 116.139)  ( 0.00,  0.01,  0.00)
    torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
    oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
    vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-241.172, -31.674,  77.549)  (-241.012, -31.295,  77.005)  ( 0.07,  1.20,  0.70)
    bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
    angle   (-221.982,  22.679, -11.689)  (-221.969,  22.689, -11.686)  ( 0.01,  0.04,  0.03)
    torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
    oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
    vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( 53.277, 106.301, -73.869)  ( 53.242, 106.118, -73.485)  ( 0.07,  0.17,  0.52)
    bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
    angle   ( 29.691,  38.760,  37.655)  ( 29.705,  38.771,  37.660)  ( 0.05,  0.03,  0.01)
    torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
    oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
    vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-213.211, -40.463, -105.623)  (-213.202, -40.517, -105.101)  ( 0.00,  0.13,  0.49)
    bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
    angle   (-219.577, -59.151, -27.761)  (-219.561, -59.136, -27.757)  ( 0.01,  0.03,  0.02)
    torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
    oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
    vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-101.742, -371.068, -23.921)  (-101.565, -370.628, -24.521)  ( 0.17,  0.12,  2.51)
    bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
    angle   (-72.358, -276.995, -173.508)  (-72.346, -276.981, -173.503)  ( 0.02,  0.01,  0.00)
    torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
    oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
    vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (228.430,  76.577, 193.132)  (228.525,  76.507, 191.803)  ( 0.04,  0.09,  0.69)
    bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
    angle   (227.722,  50.197,  45.280)  (227.738,  50.216,  45.280)  ( 0.01,  0.04,  0.00)
    torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
    oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
    vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (100.371, 309.824, -231.889)  (100.368, 310.142, -230.071)  ( 0.00,  0.10,  0.78)
    bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
    angle   ( 96.477, 343.405, -35.624)  ( 96.489, 343.424, -35.623)  ( 0.01,  0.01,  0.00)
    torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
    oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
    vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-305.104, -158.227, 106.675)  (-305.073, -158.240, 106.119)  ( 0.01,  0.01,  0.52)
    bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
    angle   (-308.555, -166.315,  22.515)  (-308.540, -166.300,  22.516)  ( 0.00,  0.01,  0.00)
    torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
    oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
    vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (232.890, -17.937,  66.469)  (232.914, -17.947,  66.040)  ( 0.01,  0.05,  0.65)
    bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
    angle   (230.119, -25.557,   1.218)  (230.131, -25.544,   1.218)  ( 0.01,  0.05,  0.03)
    torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
    oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
    vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-57.026, -58.289, -117.899)  (-56.973, -58.155, -117.049)  ( 0.09,  0.23,  0.72)
    bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
    angle   (-51.192, -42.847,  17.401)  (-51.178, -42.834,  17.402)  ( 0.03,  0.03,  0.01)
    torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
    oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
    vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (-146.289, -150.851,  -2.018)  (-146.265, -150.846,  -2.246)  ( 0.02,  0.00, 11.27)
    bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
    angle   (-159.719, -145.207,  -0.660)  (-159.709, -145.198,  -0.654)  ( 0.01,  0.01,  0.38)
    torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
    oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
    vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       ( 13.396, -24.032, -39.919)  ( 13.411, -24.009, -39.698)  ( 0.11,  0.10,  0.55)
    bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
    angle   ( 11.441, -19.832,   3.746)  ( 11.442, -19.829,   3.745)  ( 0.01,  0.02,  0.01)
    torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
    oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
    vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-33.919, -36.308,  -8.388)  (-33.904, -36.274,  -8.150)  ( 0.05,  0.10,  2.84)
    bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
    angle   (-34.334, -36.667,   6.349)  (-34.332, -36.665,   6.348)  ( 0.00,  0.01,  0.00)
    torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
    oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
    vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (161.476, 126.370,  92.928)  (161.532, 126.485,  92.817)  ( 0.03,  0.09,  0.12)
    bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
    angle   (166.273, 131.364,  83.908)  (166.282, 131.371,  83.914)  ( 0.01,  0.01,  0.01)
    torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
    oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
    vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (-13.413,  13.177,  11.816)  (-13.343,  13.362,  11.527)  ( 0.52,  1.41,  2.44)
    bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
    angle   ( -9.700,  16.967,   3.784)  ( -9.699,  16.969,   3.784)  ( 0.01,  0.01,  0.01)
    torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
    oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
    vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( 31.596,  30.692,  20.608)  ( 31.564,  30.575,  20.819)  ( 0.10,  0.38,  1.02)
    bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
    angle   ( 31.348,  29.277,  26.288)  ( 31.349,  29.278,  26.288)  ( 0.00,  0.00,  0.00)
    torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
    oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
    vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( 81.052,  16.999, -11.607)  ( 81.003,  16.859, -11.335)  ( 0.06,  0.82,  2.35)
    bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
    angle   ( 79.618,  -0.215,  17.185)  ( 79.622,  -0.215,  17.185)  ( 0.01,  0.00,  0.00)
    torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
    oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
    vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (-88.153,  16.319, 118.420)  (-88.115,  16.203, 117.637)  ( 0.04,  0.71,  0.66)
    bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
    angle   (-90.958,  -4.697,  -3.693)  (-90.954,  -4.697,  -3.694)  ( 0.00,  0.00,  0.00)
    torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
    oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
    vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (-84.560, -41.338, -50.114)  (-84.552, -41.332, -50.109)  ( 0.01,  0.02,  0.01)
    bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
    angle   (-85.523, -59.980, -32.671)  (-85.521, -59.980, -32.670)  ( 0.00,  0.00,  0.00)
    torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (-26.973, -56.612,  -2.148)  (-26.967, -56.608,  -2.140)  ( 0.02,  0.01,  0.37)
    bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
    angle   ( -7.198, -57.641, -18.148)  ( -7.197, -57.639, -18.148)  ( 0.01,  0.00,  0.00)
    torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       ( 11.314, -48.945, -41.506)  ( 11.320, -48.938, -41.500)  ( 0.05,  0.01,  0.02)
    bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
    angle   ( -6.180, -36.848, -48.004)  ( -6.178, -36.847, -48.002)  ( 0.02,  0.00,  0.00)
    torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( -0.203,  83.938,  -3.860)  ( -0.192,  83.941,  -3.857)  ( 0.23,  0.00,  0.10)
    bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
    angle   ( -1.363,  88.129,  -2.032)  ( -1.363,  88.132,  -2.031)  ( 0.03,  0.00,  0.07)
    torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( 28.368,  27.667, -17.442)  ( 28.370,  27.672, -17.430)  ( 0.01,  0.02,  0.07)
    bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
    angle   ( 31.263,  26.404, -18.985)  ( 31.265,  26.406, -18.984)  ( 0.01,  0.01,  0.00)
    torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( 74.969,  49.590,   0.087)  ( 74.974,  49.597,   0.092)  ( 0.01,  0.02,  0.04)
    bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
    angle   ( 81.752,  50.326,  -8.730)  ( 81.754,  50.327,  -8.729)  ( 0.00,  0.00,  0.01)
    torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 16 # gradients 
ok 17 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (298.167,  97.495, -27.323)  (298.218,  97.534, -27.302)  ( 0.02,  0.04,  0.08)
    bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
    angle   ( -0.624,   0.276,  -0.157)  ( -0.613,   0.290,  -0.149)  ( 0.73,  0.38,  0.13)
    torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
    oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
    vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       ( -0.048, 281.241, -143.081)  ( -0.000, 281.291, -143.047)  ( 0.23,  0.02,  0.02)
    bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
    angle   ( -0.015,   0.101,  -0.405)  ( -0.000,   0.114,  -0.399)  ( 0.02,  0.13,  0.22)
    torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
    oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
    vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( -0.048, -281.335, -143.081)  (  0.000, -281.291, -143.047)  ( 0.23,  0.02,  0.02)
    bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
    angle   ( -0.015,  -0.127,  -0.405)  ( -0.000,  -0.114,  -0.399)  ( 0.02,  0.17,  0.22)
    torsion ( -0.005,   0.101,  -0.352)  (  0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
    oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
    vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (298.167, -97.584, -27.323)  (298.218, -97.534, -27.302)  ( 0.02,  0.05,  0.08)
    bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
    angle   ( -0.624,  -0.303,  -0.157)  ( -0.613,  -0.290,  -0.149)  ( 0.73,  0.42,  0.13)
    torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
    oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
    vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-156.769, 186.865, -202.172)  (-156.737, 186.909, -202.131)  ( 0.02,  0.02,  0.02)
    bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
    angle   ( -0.060,   0.672,   0.130)  ( -0.049,   0.686,   0.139)  ( 0.07,  0.94,  0.11)
    torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
    oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-156.769, -186.960, -202.172)  (-156.737, -186.909, -202.131)  ( 0.02,  0.03,  0.02)
    bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
    angle   ( -0.060,  -0.700,   0.130)  ( -0.049,  -0.686,   0.139)  ( 0.07,  0.98,  0.11)
    torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
    oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-298.258,  97.495, -27.323)  (-298.218,  97.534, -27.302)  ( 0.01,  0.04,  0.08)
    bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
    angle   (  0.601,   0.276,  -0.157)  (  0.613,   0.290,  -0.149)  ( 0.70,  0.38,  0.13)
    torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
    oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
    vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-298.258, -97.584, -27.323)  (-298.218, -97.534, -27.302)  ( 0.01,  0.05,  0.08)
    bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
    angle   (  0.601,  -0.303,  -0.157)  (  0.613,  -0.290,  -0.149)  ( 0.70,  0.42,  0.13)
    torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
    oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
    vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (186.865, 202.101, 156.694)  (186.909, 202.131, 156.737)  ( 0.02,  0.02,  0.03)
    bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
    angle   (  0.672,  -0.147,   0.038)  (  0.686,  -0.139,   0.049)  ( 0.94,  0.13,  0.04)
    torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
    oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( 27.261, 298.167,  97.495)  ( 27.302, 298.218,  97.534)  ( 0.15,  0.02,  0.04)
    bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
    angle   (  0.140,  -0.624,   0.276)  (  0.149,  -0.613,   0.290)  ( 0.12,  0.73,  0.38)
    torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
    oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
    vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       ( 27.261, -298.258,  97.495)  ( 27.302, -298.218,  97.534)  ( 0.15,  0.01,  0.04)
    bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
    angle   (  0.140,   0.601,   0.276)  (  0.149,   0.613,   0.290)  ( 0.12,  0.70,  0.38)
    torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
    oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
    vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (186.865, -202.172, 156.694)  (186.909, -202.131, 156.737)  ( 0.02,  0.02,  0.03)
    bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
    angle   (  0.672,   0.130,   0.038)  (  0.686,   0.139,   0.049)  ( 0.94,  0.11,  0.04)
    torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
    oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (202.101, -156.769, -186.960)  (202.131, -156.737, -186.909)  ( 0.02,  0.02,  0.03)
    bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
    angle   ( -0.147,  -0.060,  -0.700)  ( -0.139,  -0.049,  -0.686)  ( 0.13,  0.07,  0.98)
    torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
    oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-97.584,  27.261, -298.258)  (-97.534,  27.302, -298.218)  ( 0.05,  0.15,  0.01)
    bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
    angle   ( -0.303,   0.140,   0.601)  ( -0.290,   0.149,   0.613)  ( 0.42,  0.12,  0.70)
    torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
    oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
    vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (202.101, -156.769, 186.865)  (202.131, -156.737, 186.909)  ( 0.02,  0.02,  0.02)
    bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
    angle   ( -0.147,  -0.060,   0.672)  ( -0.139,  -0.049,   0.686)  ( 0.13,  0.07,  0.94)
    torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
    oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-281.335, 143.030,  -0.048)  (-281.291, 143.047,   0.000)  ( 0.02,  0.01,  0.23)
    bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
    angle   ( -0.127,   0.394,  -0.015)  ( -0.114,   0.399,   0.000)  ( 0.17,  0.21,  0.02)
    torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
    oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,  -0.000)  ( 0.00,  0.01,  0.00)
    vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (156.694, -186.960, -202.172)  (156.737, -186.909, -202.131)  ( 0.03,  0.03,  0.02)
    bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
    angle   (  0.038,  -0.700,   0.130)  (  0.049,  -0.686,   0.139)  ( 0.04,  0.98,  0.11)
    torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
    oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (-186.960, 202.101, 156.694)  (-186.909, 202.131, 156.737)  ( 0.03,  0.02,  0.03)
    bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
    angle   ( -0.700,  -0.147,   0.038)  ( -0.686,  -0.139,   0.049)  ( 0.98,  0.13,  0.04)
    torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
    oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (-97.584,  27.261, 298.167)  (-97.534,  27.302, 298.218)  ( 0.05,  0.15,  0.02)
    bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
    angle   ( -0.303,   0.140,  -0.624)  ( -0.290,   0.149,  -0.613)  ( 0.42,  0.12,  0.73)
    torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
    oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
    vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( 97.495,  27.261, -298.258)  ( 97.534,  27.302, -298.218)  ( 0.04,  0.15,  0.01)
    bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
    angle   (  0.276,   0.140,   0.601)  (  0.290,   0.149,   0.613)  ( 0.38,  0.12,  0.70)
    torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
    oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
    vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (156.694, 186.865, -202.172)  (156.737, 186.909, -202.131)  ( 0.03,  0.02,  0.02)
    bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
    angle   (  0.038,   0.672,   0.130)  (  0.049,   0.686,   0.139)  ( 0.04,  0.94,  0.11)
    torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
    oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (143.030,  -0.048, 281.241)  (143.047,  -0.000, 281.291)  ( 0.01,  0.23,  0.02)
    bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
    angle   (  0.394,  -0.015,   0.101)  (  0.399,  -0.000,   0.114)  ( 0.21,  0.02,  0.13)
    torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
    oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
    vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (202.101, 156.694, -186.960)  (202.131, 156.737, -186.909)  ( 0.02,  0.03,  0.03)
    bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
    angle   ( -0.147,   0.038,  -0.700)  ( -0.139,   0.049,  -0.686)  ( 0.13,  0.04,  0.98)
    torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
    oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (-27.323, -298.258,  97.495)  (-27.302, -298.218,  97.534)  ( 0.08,  0.01,  0.04)
    bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
    angle   ( -0.157,   0.601,   0.276)  ( -0.149,   0.613,   0.290)  ( 0.13,  0.70,  0.38)
    torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
    oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
    vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (-97.584, -27.323, -298.258)  (-97.534, -27.302, -298.218)  ( 0.05,  0.08,  0.01)
    bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
    angle   ( -0.303,  -0.157,   0.601)  ( -0.290,  -0.149,   0.613)  ( 0.42,  0.13,  0.70)
    torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
    oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
    vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (-186.960, -202.172, 156.694)  (-186.909, -202.131, 156.737)  ( 0.03,  0.02,  0.03)
    bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
    angle   ( -0.700,   0.130,   0.038)  ( -0.686,   0.139,   0.049)  ( 0.98,  0.11,  0.04)
    torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
    oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (202.101, 156.694, 186.865)  (202.131, 156.737, 186.909)  ( 0.02,  0.03,  0.02)
    bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
    angle   ( -0.147,   0.038,   0.672)  ( -0.139,   0.049,   0.686)  ( 0.13,  0.04,  0.94)
    torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
    oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (-281.335, -143.081,  -0.048)  (-281.291, -143.047,   0.000)  ( 0.02,  0.02,  0.23)
    bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
    angle   ( -0.127,  -0.405,  -0.015)  ( -0.114,  -0.399,   0.000)  ( 0.17,  0.22,  0.02)
    torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
    oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,  -0.000)  ( 0.00,  0.01,  0.00)
    vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 97.495, -27.323, -298.258)  ( 97.534, -27.302, -298.218)  ( 0.04,  0.08,  0.01)
    bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
    angle   (  0.276,  -0.157,   0.601)  (  0.290,  -0.149,   0.613)  ( 0.38,  0.13,  0.70)
    torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
    oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
    vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (281.241, 143.030,  -0.048)  (281.291, 143.047,   0.000)  ( 0.02,  0.01,  0.23)
    bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
    angle   (  0.101,   0.394,  -0.015)  (  0.114,   0.399,   0.000)  ( 0.13,  0.21,  0.02)
    torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
    oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
    vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (143.030,  -0.048, -281.335)  (143.047,  -0.000, -281.291)  ( 0.01,  0.23,  0.02)
    bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
    angle   (  0.394,  -0.015,  -0.127)  (  0.399,   0.000,  -0.114)  ( 0.21,  0.02,  0.17)
    torsion (  0.325,  -0.005,   0.101)  (  0.338,  -0.000,   0.104)  ( 0.44,  0.00,  0.03)
    oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
    vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (-27.323, 298.167,  97.495)  (-27.302, 298.218,  97.534)  ( 0.08,  0.02,  0.04)
    bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
    angle   ( -0.157,  -0.624,   0.276)  ( -0.149,  -0.613,   0.290)  ( 0.13,  0.73,  0.38)
    torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
    oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
    vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (-97.584, -27.323, 298.167)  (-97.534, -27.302, 298.218)  ( 0.05,  0.08,  0.02)
    bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
    angle   ( -0.303,  -0.157,  -0.624)  ( -0.290,  -0.149,  -0.613)  ( 0.42,  0.13,  0.73)
    torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
    oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
    vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (281.241, -143.081,  -0.048)  (281.291, -143.047,   0.000)  ( 0.02,  0.02,  0.23)
    bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
    angle   (  0.101,  -0.405,  -0.015)  (  0.114,  -0.399,   0.000)  ( 0.13,  0.22,  0.02)
    torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
    oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
    vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (-202.172, 156.694, -186.960)  (-202.131, 156.737, -186.909)  ( 0.02,  0.03,  0.03)
    bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
    angle   (  0.130,   0.038,  -0.700)  (  0.139,   0.049,  -0.686)  ( 0.11,  0.04,  0.98)
    torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
    oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (-202.172, 156.694, 186.865)  (-202.131, 156.737, 186.909)  ( 0.02,  0.03,  0.02)
    bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
    angle   (  0.130,   0.038,   0.672)  (  0.139,   0.049,   0.686)  ( 0.11,  0.04,  0.94)
    torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
    oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (-143.081,  -0.048, 281.241)  (-143.047,   0.000, 281.291)  ( 0.02,  0.23,  0.02)
    bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
    angle   ( -0.405,  -0.015,   0.101)  ( -0.399,   0.000,   0.114)  ( 0.22,  0.02,  0.13)
    torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
    oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
    vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (-202.172, -156.769, -186.960)  (-202.131, -156.737, -186.909)  ( 0.02,  0.02,  0.03)
    bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
    angle   (  0.130,  -0.060,  -0.700)  (  0.139,  -0.049,  -0.686)  ( 0.11,  0.07,  0.98)
    torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
    oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (-202.172, -156.769, 186.865)  (-202.131, -156.737, 186.909)  ( 0.02,  0.02,  0.02)
    bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
    angle   (  0.130,  -0.060,   0.672)  (  0.139,  -0.049,   0.686)  ( 0.11,  0.07,  0.94)
    torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
    oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       ( 97.495, -27.323, 298.167)  ( 97.534, -27.302, 298.218)  ( 0.04,  0.08,  0.02)
    bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
    angle   (  0.276,  -0.157,  -0.624)  (  0.290,  -0.149,  -0.613)  ( 0.38,  0.13,  0.73)
    torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
    oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
    vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       (-186.960, -202.172, -156.769)  (-186.909, -202.131, -156.737)  ( 0.03,  0.02,  0.02)
    bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
    angle   ( -0.700,   0.130,  -0.060)  ( -0.686,   0.139,  -0.049)  ( 0.98,  0.11,  0.07)
    torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
    oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       (-298.258,  97.495,  27.261)  (-298.218,  97.534,  27.302)  ( 0.01,  0.04,  0.15)
    bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
    angle   (  0.601,   0.276,   0.140)  (  0.613,   0.290,   0.149)  ( 0.70,  0.38,  0.12)
    torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
    oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
    vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       (186.865, -202.172, -156.769)  (186.909, -202.131, -156.737)  ( 0.02,  0.02,  0.02)
    bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
    angle   (  0.672,   0.130,  -0.060)  (  0.686,   0.139,  -0.049)  ( 0.94,  0.11,  0.07)
    torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
    oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       ( 27.261, 298.167, -97.584)  ( 27.302, 298.218, -97.534)  ( 0.15,  0.02,  0.05)
    bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
    angle   (  0.140,  -0.624,  -0.303)  (  0.149,  -0.613,  -0.290)  ( 0.12,  0.73,  0.42)
    torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
    oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
    vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       (-27.323, 298.167, -97.584)  (-27.302, 298.218, -97.534)  ( 0.08,  0.02,  0.05)
    bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
    angle   ( -0.157,  -0.624,  -0.303)  ( -0.149,  -0.613,  -0.290)  ( 0.13,  0.73,  0.42)
    torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
    oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
    vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
46       ( 27.261, -298.258, -97.584)  ( 27.302, -298.218, -97.534)  ( 0.15,  0.01,  0.05)
    bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
    angle   (  0.140,   0.601,  -0.303)  (  0.149,   0.613,  -0.290)  ( 0.12,  0.70,  0.42)
    torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
    oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
    vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
47       (-156.769, -186.960, 202.101)  (-156.737, -186.909, 202.131)  ( 0.02,  0.03,  0.02)
    bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
    angle   ( -0.060,  -0.700,  -0.147)  ( -0.049,  -0.686,  -0.139)  ( 0.07,  0.98,  0.13)
    torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
    oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       (-143.081,  -0.048, -281.335)  (-143.047,   0.000, -281.291)  ( 0.02,  0.23,  0.02)
    bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
    angle   ( -0.405,  -0.015,  -0.127)  ( -0.399,   0.000,  -0.114)  ( 0.22,  0.02,  0.17)
    torsion ( -0.352,  -0.005,   0.101)  ( -0.338,   0.000,   0.104)  ( 0.48,  0.00,  0.03)
    oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
    vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       ( 97.495,  27.261, 298.167)  ( 97.534,  27.302, 298.218)  ( 0.04,  0.15,  0.02)
    bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
    angle   (  0.276,   0.140,  -0.624)  (  0.290,   0.149,  -0.613)  ( 0.38,  0.12,  0.73)
    torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
    oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
    vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       (-186.960, 202.101, -156.769)  (-186.909, 202.131, -156.737)  ( 0.03,  0.02,  0.02)
    bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
    angle   ( -0.700,  -0.147,  -0.060)  ( -0.686,  -0.139,  -0.049)  ( 0.98,  0.13,  0.07)
    torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
    oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       (-27.323, -298.258, -97.584)  (-27.302, -298.218, -97.534)  ( 0.08,  0.01,  0.05)
    bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
    angle   ( -0.157,   0.601,  -0.303)  ( -0.149,   0.613,  -0.290)  ( 0.13,  0.70,  0.42)
    torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
    oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
    vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       (156.694, -186.960, 202.101)  (156.737, -186.909, 202.131)  ( 0.03,  0.03,  0.02)
    bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
    angle   (  0.038,  -0.700,  -0.147)  (  0.049,  -0.686,  -0.139)  ( 0.04,  0.98,  0.13)
    torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
    oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       (298.167,  97.495,  27.261)  (298.218,  97.534,  27.302)  ( 0.02,  0.04,  0.15)
    bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
    angle   ( -0.624,   0.276,   0.140)  ( -0.613,   0.290,   0.149)  ( 0.73,  0.38,  0.12)
    torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
    oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
    vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       ( -0.048, 281.241, 143.030)  (  0.000, 281.291, 143.047)  ( 0.23,  0.02,  0.01)
    bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
    angle   ( -0.015,   0.101,   0.394)  (  0.000,   0.114,   0.399)  ( 0.02,  0.13,  0.21)
    torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
    oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
    vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       (156.694, 186.865, 202.101)  (156.737, 186.909, 202.131)  ( 0.03,  0.02,  0.02)
    bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
    angle   (  0.038,   0.672,  -0.147)  (  0.049,   0.686,  -0.139)  ( 0.04,  0.94,  0.13)
    torsion (-7007396.674, -142873990.527, -142874119.440)  ( 29.381,  47.798, -81.115)  (100.00, 100.00, 100.00)
    oop     ( -5.099,  10.708,   3.888)  ( -2.603,   5.476,   2.130)  (48.95, 48.86, 45.22)
    vdw     (-57.030, -435.661, 293.860)  (-57.028, -435.653, 293.865)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       (-158.286, 186.253, 201.249)  (-158.224, 186.371, 201.345)  ( 0.04,  0.06,  0.05)
    bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
    angle   ( -0.072,   0.620,  -0.191)  ( -0.049,   0.686,  -0.139)  ( 0.16,  4.12,  0.99)
    torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
    oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     (-65.688,  17.380, -11.578)  (-65.687,  17.381, -11.578)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       (187.659, 265.145, -55.146)  (187.756, 265.263, -55.083)  ( 0.05,  0.04,  0.11)
    bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
    angle   (  0.644,  -0.191,  -0.072)  (  0.686,  -0.139,  -0.049)  ( 2.74,  0.99,  0.16)
    torsion (  0.221,  63.378, 102.327)  (  0.226,  63.388, 102.333)  ( 0.11,  0.02,  0.01)
    oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     ( 18.765, -10.738, -64.607)  ( 18.766, -10.738, -64.606)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       (-4547572855.997, 34644719.124, -1411540454.912)  (-4547445816.581, 34656207.356, -1411513119.614)  ( 0.00,  0.03,  0.00)
    bond    (-1741.584, 3957.678, 4727.449)  (-1741.558, 3957.711, 4727.473)  ( 0.00,  0.00,  0.00)
    angle   (-4547571220.922, 34640827.823, -1411545028.448)  (-4547444186.156, 34652307.175, -1411517699.873)  ( 0.00,  0.03,  0.00)
    torsion (139.287,  -9.107, -88.984)  (139.288,  -9.106, -88.981)  ( 0.00,  0.02,  0.00)
    oop     ( -3.803, -17.580, -18.555)  (  0.785,  -8.726, -11.861)  (120.64, 50.37, 36.07)
    vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       (297.475, -57.602,  92.697)  (297.506, -57.541,  92.740)  ( 0.01,  0.11,  0.05)
    bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
    angle   ( -0.620,  -0.286,   0.143)  ( -0.613,  -0.290,   0.149)  ( 0.46,  0.10,  0.08)
    torsion ( -0.291,  41.705,  67.394)  ( -0.286,  41.710,  67.404)  ( 0.15,  0.01,  0.02)
    oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
    vdw     ( 28.228, -41.707, -48.826)  ( 28.228, -41.706, -48.825)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       (3106.642, -424816.251, -694247.246)  (3103.139, -424811.072, -694210.008)  ( 0.11,  0.00,  0.01)
    bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
    angle   (3155.684, -424431.252, -694350.290)  (3155.371, -424417.884, -694308.212)  ( 0.01,  0.00,  0.01)
    torsion (-53.059, -117.539, -51.065)  (-53.055, -117.538, -51.055)  ( 0.01,  0.00,  0.02)
    oop     (  4.039,  13.850,  11.826)  (  0.823,   5.634,   6.953)  (79.63, 59.32, 41.20)
    vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
not ok 18 # gradients do not validate  for molecule /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
ok 19 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (180.388, -80.549,  -3.793)  (180.440, -80.488,  -3.854)  ( 0.03,  0.08,  1.60)
    bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
    angle   (225.179, -14.184,   3.870)  (225.203, -14.166,   3.869)  ( 0.01,  0.13,  0.02)
    torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
    oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
    vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-385.132, -27.566,  22.901)  (-385.073, -27.501,  23.032)  ( 0.02,  0.24,  0.57)
    bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
    angle   (-368.866,  44.182,   7.241)  (-368.840,  44.201,   7.240)  ( 0.01,  0.04,  0.02)
    torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
    oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
    vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (195.771, -187.781,  -5.870)  (195.831, -187.724,  -5.934)  ( 0.03,  0.03,  1.08)
    bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
    angle   ( 66.381, -151.825,  -1.463)  ( 66.405, -151.809,  -1.461)  ( 0.04,  0.01,  0.11)
    torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
    oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
    vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (128.425, 139.686,  -5.003)  (128.498, 139.765,  -4.699)  ( 0.06,  0.06,  6.08)
    bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
    angle   (105.681,  97.503,  -1.450)  (105.708,  97.532,  -1.450)  ( 0.03,  0.03,  0.00)
    torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
    oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
    vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( 79.631,  88.662,  -5.946)  ( 79.651,  88.691,  -6.060)  ( 0.02,  0.03,  1.93)
    bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
    angle   (-11.062,   6.404,   0.167)  (-11.053,   6.408,   0.167)  ( 0.08,  0.05,  0.00)
    torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
    oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
    vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-178.768, 165.966,  -7.929)  (-178.710, 166.027,  -8.076)  ( 0.03,  0.04,  1.85)
    bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
    angle   (-106.035,  15.029,   3.734)  (-106.018,  15.053,   3.736)  ( 0.02,  0.16,  0.06)
    torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
    oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
    vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 82.418, -213.036, -27.696)  ( 82.487, -212.977, -27.181)  ( 0.08,  0.03,  1.86)
    bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
    angle   ( 14.366, -134.450,  -2.315)  ( 14.389, -134.425,  -2.316)  ( 0.16,  0.02,  0.04)
    torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
    oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
    vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-107.300, -14.331,  -1.506)  (-107.264, -14.319,  -1.754)  ( 0.03,  0.09, 16.50)
    bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
    angle   (  0.257,  19.178,  -0.285)  (  0.257,  19.188,  -0.285)  ( 0.00,  0.06,  0.01)
    torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
    oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
    vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-167.723,  15.703, -12.400)  (-167.664,  15.755, -12.294)  ( 0.04,  0.33,  0.86)
    bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
    angle   (-134.227,  55.613,   0.551)  (-134.208,  55.630,   0.553)  ( 0.01,  0.03,  0.10)
    torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
    oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
    vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (161.377,  17.278,   5.533)  (161.414,  17.319,   5.465)  ( 0.02,  0.23,  1.23)
    bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
    angle   (236.500,  31.013,  -3.593)  (236.516,  31.018,  -3.592)  ( 0.01,  0.02,  0.04)
    torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
    oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
    vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (-11.520,  64.126,  -0.598)  (-11.468,  64.178,  -0.533)  ( 0.46,  0.08,  3.87)
    bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
    angle   (-32.261,  31.831,   0.286)  (-32.247,  31.851,   0.287)  ( 0.04,  0.06,  0.03)
    torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
    oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
    vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (121.821,  22.439,  13.950)  (121.858,  22.474,  13.909)  ( 0.03,  0.16,  0.30)
    bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
    angle   ( -2.026,  -2.539,  -0.057)  ( -2.014,  -2.526,  -0.049)  ( 0.56,  0.48,  0.05)
    torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
    oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
    vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-99.667, -29.683,   1.954)  (-99.630, -29.651,   1.942)  ( 0.04,  0.11,  0.60)
    bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
    angle   (  5.301,   1.955,  -2.447)  (  5.312,   1.967,  -2.439)  ( 0.21,  0.64,  0.34)
    torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
    oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
    vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       ( 37.616, -74.656,   1.717)  ( 37.649, -74.619,   1.704)  ( 0.09,  0.05,  0.81)
    bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
    angle   ( -1.057,   7.887,  -4.205)  ( -1.045,   7.899,  -4.197)  ( 1.15,  0.15,  0.20)
    torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
    oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
    vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (  3.968,  23.932,   2.668)  (  3.974,  23.948,   2.628)  ( 0.14,  0.07,  1.48)
    bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
    angle   ( -1.537,   0.002,  -0.432)  ( -1.532,   0.002,  -0.432)  ( 0.35,  0.00,  0.01)
    torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
    oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
    vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-13.080, -57.349,   0.651)  (-13.076, -57.336,   0.654)  ( 0.03,  0.02,  0.15)
    bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
    angle   (  3.661,  -0.048,  -0.297)  (  3.665,  -0.048,  -0.295)  ( 0.10,  0.00,  0.06)
    torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-29.756,  13.521,  42.736)  (-29.751,  13.525,  42.746)  ( 0.02,  0.03,  0.02)
    bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
    angle   ( -0.549,  -0.439,  -0.149)  ( -0.546,  -0.437,  -0.148)  ( 0.15,  0.09,  0.01)
    torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (-28.875,  10.796, -48.338)  (-28.869,  10.801, -48.328)  ( 0.02,  0.04,  0.02)
    bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
    angle   (  0.065,  -0.394,  -0.224)  (  0.068,  -0.392,  -0.223)  ( 0.02,  0.08,  0.02)
    torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( 23.277,  35.268, -45.044)  ( 23.282,  35.271, -45.032)  ( 0.02,  0.01,  0.03)
    bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
    angle   (  0.666,  -0.015,   0.230)  (  0.669,  -0.013,   0.230)  ( 0.21,  0.00,  0.01)
    torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( 49.618, -47.597,  -7.155)  ( 49.624, -47.585,  -7.152)  ( 0.01,  0.03,  0.03)
    bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
    angle   ( -4.950,  -1.878,   0.155)  ( -4.947,  -1.877,   0.156)  ( 0.06,  0.03,  0.03)
    torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       ( 39.152,  10.656,  60.557)  ( 39.157,  10.663,  60.564)  ( 0.01,  0.07,  0.01)
    bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
    angle   ( -1.065,   0.541,  -0.010)  ( -1.062,   0.543,  -0.009)  ( 0.30,  0.06,  0.00)
    torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-35.376,  34.456,  58.123)  (-35.367,  34.460,  58.129)  ( 0.03,  0.01,  0.01)
    bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
    angle   (  0.088,  -2.087,  -0.046)  (  0.089,  -2.084,  -0.044)  ( 0.01,  0.16,  0.01)
    torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (-10.413,  82.091,   8.075)  (-10.404,  82.100,   8.077)  ( 0.08,  0.01,  0.03)
    bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
    angle   (  5.759,  -4.912,   0.230)  (  5.761,  -4.910,   0.232)  ( 0.04,  0.03,  0.04)
    torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (-36.591,   7.221, -47.965)  (-36.588,   7.224, -47.952)  ( 0.01,  0.05,  0.03)
    bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
    angle   ( -0.530,   1.393,   0.469)  ( -0.528,   1.396,   0.470)  ( 0.11,  0.22,  0.02)
    torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 20 # gradients 
ok 21 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-153.159, -69.518,  57.095)  (-153.118, -69.482,  57.131)  ( 0.03,  0.05,  0.06)
    bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
    angle   ( -6.891, -14.604, -46.292)  ( -6.877, -14.591, -46.278)  ( 0.21,  0.09,  0.03)
    torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       ( -6.095,  12.724,  18.548)  ( -6.061,  12.756,  18.579)  ( 0.55,  0.25,  0.17)
    bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
    angle   (-27.287,  11.492,  52.607)  (-27.275,  11.502,  52.617)  ( 0.04,  0.09,  0.02)
    torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( 22.203,   6.980, -19.897)  ( 22.235,   7.013, -19.865)  ( 0.15,  0.47,  0.16)
    bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
    angle   ( -1.128,  38.843, -88.576)  ( -1.117,  38.854, -88.566)  ( 0.98,  0.03,  0.01)
    torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 19.733, -50.493,  18.254)  ( 19.767, -50.434,  18.417)  ( 0.17,  0.12,  0.89)
    bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
    angle   ( -5.354, -74.874,  83.492)  ( -5.342, -74.862,  83.501)  ( 0.22,  0.02,  0.01)
    torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
    oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
    vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-73.373,  86.656, -46.808)  (-73.330,  86.628, -47.119)  ( 0.06,  0.03,  0.66)
    bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
    angle   (-36.625,  66.087, -78.650)  (-36.614,  66.101, -78.645)  ( 0.03,  0.02,  0.01)
    torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
    oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
    vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( 33.380, -77.881,  24.251)  ( 33.431, -77.861,  24.110)  ( 0.16,  0.03,  0.58)
    bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
    angle   ( 17.165, -44.331,  19.992)  ( 17.173, -44.317,  19.994)  ( 0.05,  0.03,  0.01)
    torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
    oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
    vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( -8.457,  29.538, -23.724)  ( -8.431,  29.586, -23.589)  ( 0.31,  0.16,  0.57)
    bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
    angle   ( 63.473, -10.445, -20.144)  ( 63.485, -10.433, -20.136)  ( 0.02,  0.11,  0.04)
    torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
    oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
    vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-48.396, -15.231,  15.022)  (-48.360, -15.194,  15.056)  ( 0.07,  0.24,  0.22)
    bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
    angle   (-62.993,  36.036, 140.798)  (-62.979,  36.049, 140.810)  ( 0.02,  0.04,  0.01)
    torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       ( 18.463,  48.748,  30.339)  ( 18.501,  48.783,  30.372)  ( 0.21,  0.07,  0.11)
    bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
    angle   ( 39.188,  19.493, -36.725)  ( 39.203,  19.506, -36.712)  ( 0.04,  0.07,  0.03)
    torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( 16.904,   2.310, -51.766)  ( 16.933,   2.343, -51.737)  ( 0.17,  1.40,  0.06)
    bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
    angle   (-39.030, -73.072,  49.903)  (-39.019, -73.061,  49.914)  ( 0.03,  0.02,  0.02)
    torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (-25.565,   0.105, -21.585)  (-25.533,   0.134, -21.556)  ( 0.12,  0.30,  0.13)
    bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
    angle   (116.724,  36.718,  31.919)  (116.736,  36.728,  31.929)  ( 0.01,  0.03,  0.03)
    torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-35.372,  14.560,  72.584)  (-35.339,  14.597,  72.615)  ( 0.09,  0.26,  0.04)
    bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
    angle   ( 30.331, -130.226, -76.353)  ( 30.343, -130.213, -76.342)  ( 0.04,  0.01,  0.01)
    torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (  5.077,  28.011, -44.146)  (  5.110,  28.045, -44.114)  ( 0.66,  0.12,  0.07)
    bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
    angle   (-129.394, 185.190,  17.275)  (-129.382, 185.202,  17.286)  ( 0.01,  0.01,  0.06)
    torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-13.321,  -0.351,  -5.096)  (-13.289,  -0.318,  -5.066)  ( 0.24,  1.14,  0.59)
    bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
    angle   (133.739, -177.866,  62.769)  (133.749, -177.855,  62.777)  ( 0.01,  0.01,  0.01)
    torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (-19.645, -13.425,  -0.488)  (-19.613, -13.393,  -0.459)  ( 0.16,  0.24,  1.44)
    bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
    angle   (-99.914, 189.974, -63.286)  (-99.903, 189.986, -63.278)  ( 0.01,  0.01,  0.01)
    torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-10.614,   4.479,  49.173)  (-10.582,   4.511,  49.202)  ( 0.30,  0.70,  0.06)
    bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
    angle   ( 60.206, -140.492,  66.787)  ( 60.217, -140.481,  66.796)  ( 0.02,  0.01,  0.01)
    torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( 24.984,  -0.281,   2.619)  ( 25.016,  -0.246,   2.650)  ( 0.13,  0.99,  1.17)
    bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
    angle   ( 17.377,  66.992, -89.727)  ( 17.390,  67.004, -89.716)  ( 0.07,  0.02,  0.01)
    torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (  0.347, -11.605,  30.135)  (  0.377, -11.577,  30.163)  ( 1.02,  0.24,  0.09)
    bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
    angle   (-71.107,  24.623,  33.145)  (-71.097,  24.631,  33.153)  ( 0.01,  0.03,  0.03)
    torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (-14.118, -16.819, -33.037)  (-14.089, -16.790, -33.009)  ( 0.21,  0.17,  0.08)
    bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
    angle   ( 54.847,  -7.818,  39.167)  ( 54.856,  -7.808,  39.175)  ( 0.02,  0.12,  0.02)
    torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (-21.408,   6.888,  23.158)  (-21.380,   6.918,  23.187)  ( 0.13,  0.44,  0.12)
    bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
    angle   (  5.053,  33.609, -61.176)  (  5.061,  33.618, -61.167)  ( 0.18,  0.03,  0.01)
    torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       ( 27.358, -67.877, -20.106)  ( 27.398, -67.842, -20.069)  ( 0.14,  0.05,  0.19)
    bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
    angle   (-105.576, -49.599, -21.055)  (-105.561, -49.586, -21.040)  ( 0.01,  0.03,  0.07)
    torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (  5.700,  -4.066,   9.728)  (  5.730,  -4.037,   9.757)  ( 0.52,  0.72,  0.30)
    bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
    angle   (-20.370,  22.669,  95.775)  (-20.361,  22.678,  95.784)  ( 0.05,  0.04,  0.01)
    torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( -3.447,  34.134, -24.129)  ( -3.415,  34.166, -24.097)  ( 0.93,  0.10,  0.13)
    bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
    angle   ( 76.375,  49.181, -99.945)  ( 76.386,  49.192, -99.934)  ( 0.01,  0.02,  0.01)
    torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (-17.979,  26.240,  22.353)  (-17.946,  26.273,  22.383)  ( 0.18,  0.12,  0.14)
    bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
    angle   (-112.135,  79.524,  69.170)  (-112.123,  79.534,  69.179)  ( 0.01,  0.01,  0.01)
    torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (  0.312, -40.265, -18.049)  (  0.348, -40.227, -18.016)  ( 1.12,  0.09,  0.19)
    bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
    angle   (123.900, -64.663, -98.855)  (123.914, -64.650, -98.844)  ( 0.01,  0.02,  0.01)
    torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( 55.595,   3.519,  36.027)  ( 55.632,   3.582,  36.210)  ( 0.07,  1.78,  0.51)
    bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
    angle   (-43.099, -21.088,  70.635)  (-43.083, -21.074,  70.647)  ( 0.04,  0.07,  0.02)
    torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
    oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
    vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( -4.188,  -2.686, -14.814)  ( -4.159,  -2.656, -14.785)  ( 0.70,  1.10,  0.20)
    bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
    angle   (-16.181,  66.913,  70.945)  (-16.172,  66.922,  70.954)  ( 0.06,  0.01,  0.01)
    torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (142.851,  62.563,  22.769)  (142.876,  62.574,  22.796)  ( 0.02,  0.02,  0.12)
    bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
    angle   (-28.771,   0.657,  48.506)  (-28.769,   0.660,  48.515)  ( 0.01,  0.20,  0.02)
    torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 44.645,  -7.622, -27.150)  ( 44.650,  -7.616, -27.138)  ( 0.01,  0.08,  0.04)
    bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
    angle   ( -2.023,  -9.240,   4.004)  ( -2.020,  -9.237,   4.005)  ( 0.15,  0.03,  0.02)
    torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (-15.768,  19.929,  24.588)  (-15.763,  19.934,  24.601)  ( 0.03,  0.03,  0.05)
    bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
    angle   ( -6.365,   7.164,  -3.480)  ( -6.362,   7.166,  -3.479)  ( 0.05,  0.04,  0.01)
    torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       ( 28.507,   6.810, -42.319)  ( 28.512,   6.815, -42.306)  ( 0.02,  0.08,  0.03)
    bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
    angle   ( -2.691,  10.409,  -3.911)  ( -2.688,  10.411,  -3.911)  ( 0.12,  0.03,  0.01)
    torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       ( 94.120,  21.860, -55.076)  ( 94.126,  21.866, -55.064)  ( 0.01,  0.02,  0.02)
    bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
    angle   ( 14.517,  10.765,  -2.038)  ( 14.521,  10.768,  -2.037)  ( 0.02,  0.03,  0.03)
    torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (-26.163,   6.359, -27.935)  (-26.155,   6.363, -27.926)  ( 0.03,  0.06,  0.03)
    bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
    angle   ( 16.743,  -7.284, -16.123)  ( 16.744,  -7.281, -16.122)  ( 0.01,  0.04,  0.01)
    torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       ( 20.567,   9.422,  50.837)  ( 20.572,   9.427,  50.848)  ( 0.03,  0.05,  0.02)
    bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
    angle   ( 26.950,  -4.999,  17.190)  ( 26.952,  -4.996,  17.191)  ( 0.01,  0.05,  0.01)
    torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       ( 16.040, -38.225, -25.490)  ( 16.045, -38.221, -25.478)  ( 0.03,  0.01,  0.05)
    bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
    angle   ( 11.787,  -6.751,   6.599)  ( 11.790,  -6.749,   6.599)  ( 0.02,  0.03,  0.01)
    torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       ( -0.742,  41.043, -11.214)  ( -0.738,  41.056, -11.210)  ( 0.31,  0.03,  0.03)
    bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
    angle   ( 10.149,   3.425,  14.692)  ( 10.152,   3.425,  14.694)  ( 0.03,  0.01,  0.02)
    torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       ( -8.627,  61.965,  30.176)  ( -8.622,  61.967,  30.189)  ( 0.05,  0.00,  0.04)
    bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
    angle   ( -6.619,  18.573,  -4.816)  ( -6.616,  18.575,  -4.816)  ( 0.04,  0.01,  0.01)
    torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (  3.090, -39.725,  28.798)  (  3.095, -39.711,  28.801)  ( 0.15,  0.03,  0.01)
    bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
    angle   ( 27.362,   6.434, -13.177)  ( 27.365,   6.434, -13.175)  ( 0.01,  0.00,  0.02)
    torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (-10.513,   9.905, -23.615)  (-10.514,   9.938, -23.508)  ( 0.01,  0.33,  0.45)
    bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
    angle   (-27.817,  -1.836,  -1.973)  (-27.813,  -1.836,  -1.973)  ( 0.01,  0.00,  0.00)
    torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
    oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
    vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       ( 36.359,   5.841,  29.850)  ( 36.365,   5.845,  29.860)  ( 0.02,  0.07,  0.03)
    bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
    angle   ( -1.649,   6.213,   3.353)  ( -1.647,   6.216,   3.353)  ( 0.11,  0.05,  0.02)
    torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       ( -3.143, -21.901, -46.469)  ( -3.137, -21.896, -46.459)  ( 0.18,  0.02,  0.02)
    bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
    angle   (  2.834,  20.808,  -6.250)  (  2.836,  20.810,  -6.249)  ( 0.07,  0.01,  0.01)
    torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       (-17.356,  35.856,  43.564)  (-17.353,  35.859,  43.578)  ( 0.02,  0.01,  0.03)
    bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
    angle   (-14.907,  17.912,  -1.957)  (-14.904,  17.915,  -1.957)  ( 0.02,  0.01,  0.00)
    torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       (  4.260, -53.078,   8.903)  (  4.265, -53.066,   8.905)  ( 0.11,  0.02,  0.03)
    bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
    angle   (  2.162,   8.583, -24.803)  (  2.164,   8.584, -24.800)  ( 0.11,  0.01,  0.01)
    torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       (-17.898,  11.788,  56.425)  (-17.894,  11.793,  56.436)  ( 0.02,  0.04,  0.02)
    bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
    angle   (-17.565,  21.427,  -3.085)  (-17.563,  21.430,  -3.084)  ( 0.01,  0.01,  0.02)
    torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       ( 50.341,  12.895, -16.635)  ( 50.351,  12.899, -16.630)  ( 0.02,  0.03,  0.03)
    bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
    angle   ( -7.313,  -4.091,  -8.818)  ( -7.312,  -4.089,  -8.816)  ( 0.01,  0.06,  0.02)
    torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
46       ( 17.394, -75.208, -16.067)  ( 17.398, -75.201, -16.054)  ( 0.02,  0.01,  0.08)
    bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
    angle   ( -4.400,  10.818,  -4.298)  ( -4.397,  10.821,  -4.298)  ( 0.07,  0.03,  0.01)
    torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
47       ( -1.994,  17.528,  26.924)  ( -1.986,  17.535,  26.931)  ( 0.40,  0.04,  0.03)
    bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
    angle   (-11.336, -13.616,   1.534)  (-11.334, -13.614,   1.536)  ( 0.02,  0.02,  0.12)
    torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       (  4.013, -12.096, -70.338)  (  4.021, -12.088, -70.332)  ( 0.18,  0.06,  0.01)
    bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
    angle   ( -3.141,   3.826,  -8.941)  ( -3.139,   3.827,  -8.939)  ( 0.06,  0.04,  0.02)
    torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       ( 32.291, -33.133,  25.084)  ( 32.294, -33.129,  25.097)  ( 0.01,  0.01,  0.05)
    bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
    angle   ( -7.081,  -5.531,  -0.791)  ( -7.078,  -5.528,  -0.791)  ( 0.04,  0.05,  0.01)
    torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       (-42.520,  36.604,   2.054)  (-42.515,  36.612,   2.063)  ( 0.01,  0.02,  0.41)
    bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
    angle   (  2.038,  -1.328,   2.137)  (  2.041,  -1.326,   2.138)  ( 0.12,  0.14,  0.05)
    torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       ( 53.576,  -9.256, -46.652)  ( 53.582,  -9.251, -46.641)  ( 0.01,  0.05,  0.02)
    bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
    angle   (-20.081, -19.456,  -1.841)  (-20.078, -19.454,  -1.840)  ( 0.01,  0.01,  0.03)
    torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       (-29.920,  -0.160,  60.808)  (-29.916,  -0.156,  60.820)  ( 0.01,  0.06,  0.02)
    bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
    angle   ( -6.403,  16.046,   6.617)  ( -6.401,  16.049,   6.617)  ( 0.04,  0.01,  0.01)
    torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       ( 34.104, -28.718,  -6.748)  ( 34.109, -28.710,  -6.741)  ( 0.01,  0.03,  0.10)
    bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
    angle   (-10.946,  -8.255,   2.269)  (-10.943,  -8.254,   2.270)  ( 0.02,  0.02,  0.06)
    torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       (-47.844,  -8.941, -44.501)  (-47.841,  -8.936, -44.487)  ( 0.01,  0.05,  0.03)
    bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
    angle   ( -0.260,  -2.629,   0.036)  ( -0.257,  -2.626,   0.036)  ( 0.08,  0.13,  0.00)
    torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       (-38.345,  -4.720, -31.949)  (-38.332,  -4.716, -31.946)  ( 0.03,  0.07,  0.01)
    bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
    angle   (  3.403, -31.729,  -2.134)  (  3.403, -31.727,  -2.132)  ( 0.00,  0.01,  0.09)
    torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       (-20.346, -18.794,  51.868)  (-20.344, -18.791,  51.881)  ( 0.01,  0.02,  0.03)
    bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
    angle   (  8.755, -23.842,   4.859)  (  8.757, -23.839,   4.860)  ( 0.02,  0.01,  0.00)
    torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       ( 26.084,  30.102,  -4.160)  ( 26.089,  30.112,  -4.155)  ( 0.02,  0.03,  0.12)
    bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
    angle   ( 12.097,  -8.382,  -4.347)  ( 12.099,  -8.381,  -4.345)  ( 0.02,  0.01,  0.04)
    torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       ( 18.526, -39.778, -26.407)  ( 18.532, -39.768, -26.404)  ( 0.04,  0.02,  0.01)
    bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
    angle   (-19.874, -12.232, -10.180)  (-19.872, -12.231, -10.178)  ( 0.01,  0.01,  0.02)
    torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       (  7.860,  34.837, -16.983)  (  7.865,  34.847, -16.979)  ( 0.06,  0.03,  0.03)
    bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
    angle   (-16.360,   2.330, -13.285)  (-16.358,   2.331, -13.284)  ( 0.01,  0.03,  0.01)
    torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       ( -7.873, -15.167,  43.304)  ( -7.870, -15.165,  43.317)  ( 0.04,  0.02,  0.03)
    bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
    angle   (-21.919,  -6.059,   0.333)  (-21.916,  -6.058,   0.333)  ( 0.01,  0.03,  0.00)
    torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
61       (-51.852,   6.210,  -4.821)  (-51.840,   6.213,  -4.817)  ( 0.02,  0.05,  0.09)
    bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
    angle   ( -4.490, -19.573,  22.407)  ( -4.490, -19.571,  22.409)  ( 0.01,  0.01,  0.01)
    torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
62       (-21.892,  33.416, -10.976)  (-21.888,  33.430, -10.974)  ( 0.02,  0.04,  0.03)
    bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
    angle   ( 12.794,  -0.143,  28.500)  ( 12.796,  -0.143,  28.503)  ( 0.01,  0.00,  0.01)
    torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
63       ( 16.439, -30.124, -29.186)  ( 16.447, -30.119, -29.179)  ( 0.05,  0.01,  0.02)
    bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
    angle   (  6.002,  -6.237,  10.790)  (  6.003,  -6.236,  10.792)  ( 0.02,  0.03,  0.01)
    torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
64       (-21.940, -23.277,  25.893)  (-21.927, -23.274,  25.897)  ( 0.06,  0.01,  0.02)
    bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
    angle   ( -5.284, -19.130, -34.597)  ( -5.283, -19.128, -34.595)  ( 0.00,  0.01,  0.01)
    torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
65       ( 40.796,   3.405,  24.426)  ( 40.802,   3.410,  24.435)  ( 0.01,  0.14,  0.04)
    bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
    angle   ( 21.984, -17.670, -25.204)  ( 21.985, -17.668, -25.203)  ( 0.01,  0.01,  0.00)
    torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
66       (-26.156,  36.368,  -2.959)  (-26.152,  36.382,  -2.956)  ( 0.01,  0.04,  0.10)
    bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
    angle   ( 14.724,  -1.330, -26.398)  ( 14.725,  -1.330, -26.396)  ( 0.01,  0.00,  0.01)
    torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
67       (  4.627,  42.740, -15.860)  (  4.630,  42.754, -15.857)  ( 0.08,  0.03,  0.02)
    bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
    angle   (  5.640,   1.335,  17.663)  (  5.643,   1.335,  17.666)  ( 0.05,  0.00,  0.01)
    torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
68       ( 18.271, -40.934, -25.955)  ( 18.276, -40.930, -25.943)  ( 0.03,  0.01,  0.05)
    bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
    angle   ( 10.585,  -9.008,   6.347)  ( 10.587,  -9.006,   6.347)  ( 0.03,  0.02,  0.01)
    torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
69       ( 24.025,  11.369,  41.970)  ( 24.030,  11.375,  41.980)  ( 0.02,  0.05,  0.02)
    bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
    angle   (  7.009, -17.161,  15.053)  (  7.011, -17.158,  15.054)  ( 0.03,  0.01,  0.01)
    torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
70       (-41.184,  23.203, -11.733)  (-41.177,  23.207, -11.723)  ( 0.02,  0.02,  0.08)
    bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
    angle   (  2.120, -11.595,  -4.168)  (  2.122, -11.592,  -4.167)  ( 0.08,  0.02,  0.02)
    torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
71       (-22.415, -18.947,  15.756)  (-22.403, -18.943,  15.760)  ( 0.05,  0.02,  0.03)
    bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
    angle   ( -3.583, -20.393, -32.120)  ( -3.583, -20.391, -32.118)  ( 0.01,  0.01,  0.01)
    torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
72       ( 27.793,  -2.630,  24.374)  ( 27.802,  -2.627,  24.383)  ( 0.03,  0.11,  0.04)
    bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
    angle   ( 23.169,  -8.238, -22.902)  ( 23.171,  -8.236, -22.900)  ( 0.01,  0.02,  0.00)
    torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
73       (-18.070,  34.733,  -3.409)  (-18.067,  34.747,  -3.406)  ( 0.02,  0.04,  0.09)
    bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
    angle   ( 14.917,  -0.514, -28.085)  ( 14.918,  -0.514, -28.083)  ( 0.01,  0.00,  0.01)
    torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
74       (-50.142, -29.926, -80.632)  (-50.133, -29.923, -80.617)  ( 0.02,  0.01,  0.02)
    bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
    angle   ( 31.429,  12.864, -27.088)  ( 31.430,  12.864, -27.086)  ( 0.01,  0.00,  0.01)
    torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 22 # gradients 
ok 23 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (464.364, -522.928, 233.855)  (464.360, -522.770, 233.989)  ( 0.00,  0.03,  0.06)
    bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
    angle   (216.775, -157.956,  58.724)  (216.792, -157.942,  58.726)  ( 0.01,  0.01,  0.00)
    torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
    oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
    vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-32.368, 490.196, -90.211)  (-32.217, 490.111, -90.614)  ( 0.47,  0.02,  0.45)
    bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
    angle   (-171.095, 179.973, -102.997)  (-171.078, 179.984, -102.994)  ( 0.01,  0.01,  0.00)
    torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
    oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
    vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-67.655, 403.707,  -5.932)  (-67.665, 403.776,  -5.315)  ( 0.01,  0.02, 10.41)
    bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
    angle   (-68.918, 346.413, -22.392)  (-68.894, 346.428, -22.391)  ( 0.03,  0.00,  0.00)
    torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
    oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
    vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 65.741, 344.990, -116.615)  ( 65.910, 344.790, -117.187)  ( 0.26,  0.06,  0.49)
    bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
    angle   ( 50.083,  23.952,  -7.018)  ( 50.102,  23.966,  -7.016)  ( 0.04,  0.06,  0.04)
    torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
    oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
    vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-61.766,  -7.903, -114.307)  (-61.799,  -7.776, -114.078)  ( 0.05,  1.61,  0.20)
    bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
    angle   (-55.353,  -2.598,  -9.466)  (-55.345,  -2.597,  -9.466)  ( 0.02,  0.00,  0.00)
    torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
    oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
    vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-323.805, -237.936,  63.722)  (-323.791, -237.810,  63.953)  ( 0.00,  0.05,  0.36)
    bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
    angle   (-30.480, -41.382,  11.557)  (-30.462, -41.368,  11.560)  ( 0.06,  0.03,  0.02)
    torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
    oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
    vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-239.094, 108.386,  -8.548)  (-238.958, 108.250,  -9.093)  ( 0.06,  0.13,  6.38)
    bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
    angle   ( 61.085, -104.106,  43.349)  ( 61.103, -104.087,  43.351)  ( 0.03,  0.02,  0.00)
    torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
    oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
    vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( 12.759,  54.188,  18.710)  ( 12.794,  54.240,  18.772)  ( 0.28,  0.10,  0.33)
    bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
    angle   (  3.513,  66.759, -21.831)  (  3.523,  66.773, -21.830)  ( 0.29,  0.02,  0.01)
    torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
    oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
    vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (195.050, -248.570, 105.650)  (194.867, -248.076, 107.000)  ( 0.09,  0.20,  1.28)
    bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
    angle   (-36.490, -19.502, 250.021)  (-36.477, -19.486, 250.027)  ( 0.04,  0.08,  0.00)
    torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
    oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
    vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( 13.641,  85.681, -20.612)  ( 13.656,  85.799, -20.389)  ( 0.11,  0.14,  1.08)
    bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
    angle   ( -4.455, 132.963, -45.980)  ( -4.446, 132.978, -45.978)  ( 0.21,  0.01,  0.00)
    torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
    oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
    vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (-258.243, -25.650, -99.492)  (-257.369, -26.384, -95.870)  ( 0.34,  2.86,  3.64)
    bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
    angle   (-189.445,   7.368, -90.098)  (-189.428,   7.385, -90.095)  ( 0.01,  0.22,  0.00)
    torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
    oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
    vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-10.245,  -5.273,  33.661)  (-10.228,  -5.294,  33.578)  ( 0.17,  0.39,  0.25)
    bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
    angle   (-13.340,   0.170,  -1.430)  (-13.336,   0.170,  -1.430)  ( 0.03,  0.00,  0.01)
    torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
    oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
    vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       ( 62.737, -35.718,  20.724)  ( 62.810, -35.748,  20.534)  ( 0.12,  0.08,  0.92)
    bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
    angle   (119.138, -83.407,  41.949)  (119.155, -83.396,  41.951)  ( 0.01,  0.01,  0.00)
    torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
    oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
    vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (  3.631,   9.206,  -4.271)  (  3.637,   9.217,  -4.274)  ( 0.17,  0.12,  0.07)
    bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
    angle   (-14.032,  -0.354,  -1.667)  (-14.028,  -0.354,  -1.667)  ( 0.03,  0.00,  0.00)
    torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
    oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
    vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( 16.239, -55.616,  19.857)  ( 16.249, -55.594,  19.898)  ( 0.06,  0.04,  0.20)
    bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
    angle   ( 26.182,  37.134,  -9.074)  ( 26.184,  37.137,  -9.074)  ( 0.01,  0.01,  0.00)
    torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
    oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
    vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (276.173,   7.229, 256.697)  (275.714,  10.631, 247.704)  ( 0.17, 47.06,  3.50)
    bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
    angle   ( 80.322, -40.749, 192.223)  ( 80.335, -40.733, 192.233)  ( 0.02,  0.04,  0.01)
    torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
    oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
    vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( 79.264, -105.658, -271.232)  ( 79.358, -105.786, -271.634)  ( 0.12,  0.12,  0.15)
    bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
    angle   (155.292,   7.959, -350.517)  (155.299,   7.968, -350.504)  ( 0.00,  0.11,  0.00)
    torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
    oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
    vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (-40.837, -62.306,  24.688)  (-40.822, -62.301,  24.684)  ( 0.04,  0.01,  0.02)
    bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
    angle   (-43.825, -60.668,   9.127)  (-43.823, -60.665,   9.128)  ( 0.00,  0.00,  0.00)
    torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
    oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
    vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( 66.939, -42.853, -169.655)  ( 67.124, -44.610, -167.243)  ( 0.28,  4.10,  1.42)
    bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
    angle   ( 16.378,  30.787,  -3.434)  ( 16.393,  30.800,  -3.423)  ( 0.09,  0.04,  0.33)
    torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
    oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
    vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (-42.756, 168.126, -54.007)  (-43.192, 167.421, -50.818)  ( 1.02,  0.42,  5.90)
    bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
    angle   (  5.347, -25.226, -35.114)  (  5.359, -25.211, -35.102)  ( 0.24,  0.06,  0.03)
    torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
    oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
    vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-33.037,  23.861,  -3.281)  (-33.026,  23.868,  -3.277)  ( 0.03,  0.03,  0.11)
    bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
    angle   (-15.299, -25.688, -22.087)  (-15.298, -25.685, -22.084)  ( 0.01,  0.01,  0.01)
    torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( 10.282, -18.925,  36.633)  ( 10.286, -18.920,  36.646)  ( 0.03,  0.03,  0.04)
    bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
    angle   (  9.283,  -5.961,  -2.665)  (  9.285,  -5.958,  -2.665)  ( 0.03,  0.06,  0.01)
    torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( 19.207,   5.067,   5.196)  ( 19.614,   5.813,  -0.215)  ( 2.12, 14.73, 104.14)
    bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
    angle   (  6.980,  91.973, -52.067)  (  6.993,  91.987, -52.056)  ( 0.18,  0.02,  0.02)
    torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
    oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
    vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (  1.610, -29.255, -33.368)  (  1.614, -29.246, -33.360)  ( 0.28,  0.03,  0.02)
    bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
    angle   (-17.708,  -0.085,   0.755)  (-17.704,  -0.084,   0.757)  ( 0.02,  0.01,  0.10)
    torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( 11.625,  18.056,  18.657)  ( 10.434,  21.335,  14.446)  (10.25, 18.16, 22.57)
    bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
    angle   ( 48.969,  12.498, -84.403)  ( 48.983,  12.510, -84.391)  ( 0.03,  0.10,  0.01)
    torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
    oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
    vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( 14.295,   5.071,  43.642)  ( 14.300,   5.077,  43.654)  ( 0.03,  0.11,  0.03)
    bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
    angle   (-15.871,   3.889,   4.649)  (-15.867,   3.891,   4.649)  ( 0.02,  0.05,  0.01)
    torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (-225.437, -176.595,  49.169)  (-220.547, -181.155,  65.702)  ( 2.17,  2.58, 33.62)
    bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
    angle   (-44.300, -80.767, 102.134)  (-44.291, -80.759, 102.143)  ( 0.02,  0.01,  0.01)
    torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
    oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
    vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (-14.311,   7.287, -45.364)  (-14.307,   7.292, -45.352)  ( 0.03,  0.07,  0.03)
    bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
    angle   ( -2.576,  -8.355,  -3.280)  ( -2.572,  -8.353,  -3.279)  ( 0.15,  0.02,  0.02)
    torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( -5.117,  36.964,  25.387)  ( -5.113,  36.973,  25.395)  ( 0.08,  0.02,  0.03)
    bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
    angle   ( -4.355,  -3.926,   4.902)  ( -4.351,  -3.925,   4.904)  ( 0.09,  0.03,  0.03)
    torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( 35.226, -27.620,  -3.542)  ( 35.238, -27.613,  -3.539)  ( 0.03,  0.02,  0.09)
    bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
    angle   ( -3.662,  -5.729,   3.931)  ( -3.661,  -5.726,   3.934)  ( 0.02,  0.05,  0.07)
    torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-17.568,  11.352, -42.982)  (-17.565,  11.357, -42.968)  ( 0.02,  0.05,  0.03)
    bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
    angle   (-10.225,   1.890,   1.717)  (-10.222,   1.894,   1.717)  ( 0.02,  0.18,  0.02)
    torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       ( 95.839,  75.666, -28.648)  ( 91.857,  76.325, -35.467)  ( 4.15,  0.87, 23.80)
    bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
    angle   (-12.695,   3.065, -19.962)  (-12.694,   3.067, -19.960)  ( 0.01,  0.08,  0.01)
    torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
    oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
    vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (185.420, -110.111,  75.600)  (185.469, -110.089,  75.284)  ( 0.03,  0.02,  0.42)
    bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
    angle   (130.029, -21.231,  15.884)  (130.038, -21.231,  15.884)  ( 0.01,  0.00,  0.00)
    torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
    oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
    vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (-113.313, -428.252,  -9.177)  (-113.259, -428.221,  -9.311)  ( 0.05,  0.01,  1.45)
    bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
    angle   (-16.810, -332.482,  16.560)  (-16.805, -332.466,  16.563)  ( 0.03,  0.00,  0.01)
    torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
    oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
    vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (-142.785, 273.573, -33.954)  (-142.764, 273.588, -33.952)  ( 0.01,  0.01,  0.00)
    bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
    angle   (-123.640, 157.539, -22.798)  (-123.636, 157.542, -22.798)  ( 0.00,  0.00,  0.00)
    torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (-181.882, -26.397,  58.504)  (-181.849, -26.381,  58.527)  ( 0.02,  0.06,  0.04)
    bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
    angle   (-170.067, -37.509,  64.265)  (-170.061, -37.503,  64.275)  ( 0.00,  0.01,  0.01)
    torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (129.928,  15.701, 151.664)  (129.948,  15.722, 151.695)  ( 0.02,  0.13,  0.02)
    bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
    angle   (103.406,   3.975, 146.082)  (103.410,   3.981, 146.093)  ( 0.00,  0.15,  0.01)
    torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       ( 60.736,  47.490, -91.160)  ( 60.740,  47.495, -91.152)  ( 0.01,  0.01,  0.01)
    bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
    angle   ( 68.450,   3.819, -29.850)  ( 68.453,   3.819, -29.849)  ( 0.00,  0.01,  0.00)
    torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       ( 17.857, -68.927,  99.322)  ( 17.864, -68.925,  99.329)  ( 0.04,  0.00,  0.01)
    bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
    angle   ( 52.028, -46.521,  34.490)  ( 52.030, -46.519,  34.492)  ( 0.00,  0.00,  0.00)
    torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       ( -1.384,  37.943, -112.220)  ( -1.380,  37.950, -112.215)  ( 0.31,  0.02,  0.00)
    bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
    angle   (-34.379, -11.353, -64.761)  (-34.378, -11.353, -64.758)  ( 0.00,  0.00,  0.00)
    torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       (-52.442, -82.287,  72.524)  (-52.440, -82.285,  72.537)  ( 0.00,  0.00,  0.02)
    bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
    angle   (-48.860, -56.631,   0.639)  (-48.858, -56.629,   0.639)  ( 0.00,  0.00,  0.00)
    torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       ( 24.447,  87.948, -56.015)  ( 24.448,  87.953, -56.003)  ( 0.00,  0.01,  0.02)
    bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
    angle   ( -5.720,  59.745,  -0.213)  ( -5.719,  59.750,  -0.213)  ( 0.01,  0.01,  0.00)
    torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 24 # gradients 
ok 25 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-101.647, -140.950, -13.724)  (-101.613, -140.918, -13.708)  ( 0.03,  0.02,  0.12)
    bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
    angle   (-112.586, -106.679, -16.863)  (-112.579, -106.669, -16.863)  ( 0.01,  0.01,  0.00)
    torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
    oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
    vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (153.811, -30.917,  22.268)  (153.835, -30.882,  22.396)  ( 0.02,  0.11,  0.58)
    bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
    angle   ( -2.274,  63.113,   3.069)  ( -2.265,  63.126,   3.069)  ( 0.43,  0.02,  0.01)
    torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
    oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
    vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-195.819,  60.919,  24.678)  (-195.760,  60.972,  24.521)  ( 0.03,  0.09,  0.63)
    bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
    angle   (-10.688, -94.903,  -9.253)  (-10.674, -94.888,  -9.251)  ( 0.13,  0.01,  0.02)
    torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
    oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
    vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( 19.971, -129.316, -21.929)  ( 19.976, -129.312, -21.533)  ( 0.03,  0.00,  1.81)
    bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
    angle   ( 34.174, -101.863,  14.880)  ( 34.188, -101.854,  14.882)  ( 0.04,  0.01,  0.01)
    torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
    oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
    vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-35.071, -73.081, -61.894)  (-33.087, -73.669, -57.408)  ( 5.66,  0.81,  7.25)
    bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
    angle   (-55.015,  73.249,  42.234)  (-55.002,  73.264,  42.244)  ( 0.02,  0.02,  0.02)
    torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
    oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
    vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( 66.653, 168.820, -11.147)  ( 66.681, 168.846, -11.238)  ( 0.04,  0.02,  0.82)
    bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
    angle   ( 89.037, 133.255,  14.231)  ( 89.039, 133.257,  14.232)  ( 0.00,  0.00,  0.01)
    torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
    oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
    vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 56.254,  31.644,  -1.097)  ( 54.184,  30.468, -15.078)  ( 3.68,  3.72, 1273.93)
    bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
    angle   (-62.633, -11.797, -194.133)  (-62.622, -11.786, -194.121)  ( 0.02,  0.10,  0.01)
    torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
    oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
    vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( -3.644,  32.218, -24.451)  ( -3.639,  32.229, -24.446)  ( 0.13,  0.04,  0.02)
    bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
    angle   ( 27.224,  -8.620, -16.205)  ( 27.227,  -8.620, -16.203)  ( 0.01,  0.01,  0.01)
    torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       ( -2.739,  12.913,  41.152)  ( -2.735,  12.915,  41.165)  ( 0.15,  0.02,  0.03)
    bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
    angle   ( 15.743, -16.725,  -0.129)  ( 15.747, -16.722,  -0.129)  ( 0.02,  0.02,  0.00)
    torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (  2.078, -16.271, -27.728)  (  3.041, -14.231, -23.148)  (46.35, 12.54, 16.52)
    bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
    angle   ( 73.360, -69.177,  96.222)  ( 73.374, -69.164,  96.233)  ( 0.02,  0.02,  0.01)
    torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
    oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
    vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       ( 63.310,  98.293,  21.311)  ( 63.356,  98.342,  21.177)  ( 0.07,  0.05,  0.63)
    bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
    angle   ( -9.652,  30.004, -39.234)  ( -9.640,  30.016, -39.226)  ( 0.12,  0.04,  0.02)
    torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
    oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
    vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       ( 36.879, -28.697,   4.589)  ( 36.888, -28.689,   4.592)  ( 0.03,  0.03,  0.08)
    bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
    angle   ( 21.522,  32.251, -15.443)  ( 21.524,  32.253, -15.441)  ( 0.01,  0.01,  0.02)
    torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-11.062,  26.382,  42.449)  (-11.059,  26.386,  42.463)  ( 0.03,  0.02,  0.03)
    bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
    angle   ( -9.100,  12.487,  -0.169)  ( -9.097,  12.491,  -0.169)  ( 0.03,  0.03,  0.00)
    torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-22.374,   3.284, -46.984)  (-22.370,   3.289, -46.972)  ( 0.02,  0.14,  0.03)
    bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
    angle   (  2.240,   3.757,  -1.528)  (  2.243,   3.759,  -1.527)  ( 0.13,  0.05,  0.03)
    torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (  4.394, -34.112,  26.568)  (  4.397, -34.103,  26.575)  ( 0.08,  0.03,  0.03)
    bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
    angle   (-10.182,   9.645,   7.906)  (-10.179,   9.646,   7.907)  ( 0.03,  0.01,  0.02)
    torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( 11.310,  53.332,  10.491)  ( 11.325,  53.337,  10.482)  ( 0.14,  0.01,  0.09)
    bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
    angle   ( 13.658,  54.129,   4.634)  ( 13.658,  54.133,   4.634)  ( 0.00,  0.01,  0.00)
    torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
    oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
    vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       ( 10.121,  -3.187,   6.368)  ( 10.131,  -3.169,   6.320)  ( 0.10,  0.56,  0.76)
    bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
    angle   ( 11.650,   0.934,   1.082)  ( 11.653,   0.934,   1.081)  ( 0.03,  0.00,  0.01)
    torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
    oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
    vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       ( 27.241, 154.398,  56.116)  ( 26.600, 154.229,  61.110)  ( 2.35,  0.11,  8.90)
    bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
    angle   (114.658, 119.791, 283.095)  (114.672, 119.806, 283.110)  ( 0.01,  0.01,  0.01)
    torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
    oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
    vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (-37.692, -18.078, -57.946)  (-37.652, -18.045, -57.906)  ( 0.11,  0.19,  0.07)
    bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
    angle   (  2.096, -72.934, -58.814)  (  2.106, -72.926, -58.801)  ( 0.48,  0.01,  0.02)
    torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
    oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
    vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (-149.396, -421.676, -80.259)  (-149.773, -421.485, -79.980)  ( 0.25,  0.05,  0.35)
    bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
    angle   (-172.477, -298.421, -105.455)  (-172.471, -298.403, -105.442)  ( 0.00,  0.01,  0.01)
    torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
    oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
    vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       ( 23.138, -30.044,  44.333)  ( 23.143, -30.039,  44.347)  ( 0.02,  0.01,  0.03)
    bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
    angle   ( 24.258, -39.662,   2.939)  ( 24.262, -39.659,   2.939)  ( 0.02,  0.01,  0.00)
    torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-50.677,  14.128, -26.917)  (-50.660,  14.136, -26.878)  ( 0.03,  0.06,  0.15)
    bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
    angle   (-29.089,  21.962, -43.273)  (-29.081,  21.967, -43.262)  ( 0.03,  0.02,  0.03)
    torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
    oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
    vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( -9.615,  -0.231, -19.999)  ( -9.576,  -0.195, -19.958)  ( 0.41,  0.85,  0.21)
    bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
    angle   (  8.978,  -6.207,  20.554)  (  8.985,  -6.203,  20.568)  ( 0.07,  0.06,  0.07)
    torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
    oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
    vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( 15.039,  -8.311,  -3.405)  ( 15.108,  -8.235,  -3.366)  ( 0.46,  0.92,  1.16)
    bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
    angle   (-13.394,  10.322,   1.106)  (-13.386,  10.327,   1.116)  ( 0.06,  0.05,  0.92)
    torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
    oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
    vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( 10.871,  -8.809,   4.815)  ( 10.867,  -8.827,   4.854)  ( 0.03,  0.21,  0.81)
    bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
    angle   (  5.209,  -2.668, -37.406)  (  5.216,  -2.663, -37.394)  ( 0.15,  0.17,  0.03)
    torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
    oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
    vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( 34.188, -10.452,  -9.579)  ( 34.307, -10.311,  -9.536)  ( 0.35,  1.35,  0.45)
    bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
    angle   ( 27.599, -21.413,  66.075)  ( 27.604, -21.410,  66.090)  ( 0.02,  0.01,  0.02)
    torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
    oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
    vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( 26.697,   5.423,  14.956)  ( 26.704,   5.429,  14.965)  ( 0.03,  0.11,  0.06)
    bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
    angle   ( -8.685,   6.643,  13.188)  ( -8.684,   6.644,  13.190)  ( 0.01,  0.01,  0.02)
    torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
    oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       ( -5.406,  11.883,  -8.648)  ( -5.401,  11.885,  -8.640)  ( 0.09,  0.02,  0.09)
    bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
    angle   ( -3.947,   2.963,   6.470)  ( -3.947,   2.963,   6.472)  ( 0.02,  0.02,  0.04)
    torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
    oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
    vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( -3.054,  18.013,  76.598)  ( -3.082,  17.976,  76.609)  ( 0.89,  0.20,  0.01)
    bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
    angle   (-34.466,  26.854,  -3.309)  (-34.465,  26.855,  -3.309)  ( 0.00,  0.00,  0.00)
    torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
    oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
    vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( -5.853,  -7.343,  15.012)  ( -5.857,  -7.349,  15.026)  ( 0.06,  0.08,  0.10)
    bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
    angle   (  1.078,  -0.819,   0.183)  (  1.080,  -0.817,   0.184)  ( 0.23,  0.12,  0.00)
    torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
    oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
    vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-12.539,   6.068,   5.302)  (-12.547,   6.053,   5.307)  ( 0.06,  0.25,  0.10)
    bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
    angle   (  0.009,  -0.019,   0.042)  (  0.009,  -0.019,   0.046)  ( 0.00,  0.00,  0.01)
    torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
    oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
    vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (-21.256, -19.709,  15.225)  (-21.049, -19.756,  15.123)  ( 0.97,  0.23,  0.67)
    bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
    angle   ( -7.050,  20.089, -25.221)  ( -7.050,  20.093, -25.216)  ( 0.00,  0.02,  0.02)
    torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
    oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
    vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (188.151, 521.759,  16.111)  (188.275, 521.753,  16.076)  ( 0.07,  0.00,  0.22)
    bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
    angle   (114.325, 255.389,  50.115)  (114.330, 255.400,  50.119)  ( 0.00,  0.00,  0.01)
    torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
    oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
    vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (-93.975, -303.364, -13.671)  (-93.944, -303.326, -13.639)  ( 0.03,  0.01,  0.24)
    bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
    angle   (-61.158, -26.937, -83.447)  (-61.148, -26.926, -83.436)  ( 0.02,  0.04,  0.01)
    torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (-19.161,  10.651, -38.861)  (-19.156,  10.654, -38.850)  ( 0.03,  0.03,  0.03)
    bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
    angle   (  2.982,  11.917,  -2.006)  (  2.984,  11.920,  -2.006)  ( 0.05,  0.03,  0.03)
    torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (-17.007,  36.631,  28.902)  (-17.002,  36.639,  28.909)  ( 0.03,  0.02,  0.02)
    bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
    angle   (  7.937,  -3.471,   9.942)  (  7.938,  -3.469,   9.943)  ( 0.02,  0.06,  0.02)
    torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       ( 47.130,  16.999,  -9.739)  ( 47.143,  17.004,  -9.736)  ( 0.03,  0.02,  0.03)
    bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
    angle   (  4.450,  -6.656,  13.733)  (  4.451,  -6.653,  13.735)  ( 0.01,  0.04,  0.01)
    torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 26 # gradients 
ok 27 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (111.321,  -6.131, -23.523)  (110.994,  -6.404, -21.901)  ( 0.29,  4.46,  6.90)
    bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
    angle   (160.469, -74.693,  22.127)  (160.483, -74.679,  22.129)  ( 0.01,  0.02,  0.01)
    torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
    oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
    vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-152.597, 147.500, 264.482)  (-151.448, 148.481, 260.075)  ( 0.75,  0.67,  1.67)
    bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
    angle   (-104.043, 102.032, 106.856)  (-104.029, 102.050, 106.859)  ( 0.01,  0.02,  0.00)
    torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
    oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
    vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-54.531,  15.192, -100.193)  (-54.968,  14.862, -98.350)  ( 0.80,  2.17,  1.84)
    bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
    angle   (-106.663, -42.636, -25.206)  (-106.648, -42.622, -25.203)  ( 0.01,  0.03,  0.01)
    torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
    oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
    vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (180.124, -233.420, -29.354)  (180.172, -233.375, -29.337)  ( 0.03,  0.02,  0.06)
    bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
    angle   (140.245, -196.748, -20.178)  (140.263, -196.736, -20.174)  ( 0.01,  0.01,  0.02)
    torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
    oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
    vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-70.380, 262.490, 104.991)  (-70.330, 262.526, 104.984)  ( 0.07,  0.01,  0.01)
    bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
    angle   (-56.267, 246.053,  44.050)  (-56.263, 246.067,  44.051)  ( 0.01,  0.01,  0.00)
    torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
    oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
    vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (-141.053, -268.584, -63.635)  (-140.986, -268.522, -63.698)  ( 0.05,  0.02,  0.10)
    bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
    angle   (-107.430, -185.323, -68.199)  (-107.415, -185.312, -68.197)  ( 0.01,  0.01,  0.00)
    torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
    oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
    vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (117.233, 199.494,  87.161)  (117.270, 199.530,  87.157)  ( 0.03,  0.02,  0.00)
    bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
    angle   (164.068, 155.361, 136.901)  (164.078, 155.371, 136.910)  ( 0.01,  0.01,  0.01)
    torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
    oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
    vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (200.141, -42.555, -426.302)  (199.829, -42.829, -424.949)  ( 0.16,  0.64,  0.32)
    bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
    angle   ( 98.513, -89.094, -160.556)  ( 98.523, -89.091, -160.551)  ( 0.01,  0.00,  0.00)
    torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
    oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
    vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-118.310,  -8.967, 304.832)  (-118.282,  -8.934, 304.869)  ( 0.02,  0.38,  0.01)
    bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
    angle   (-41.665, 156.068,  61.143)  (-41.656, 156.079,  61.154)  ( 0.02,  0.01,  0.02)
    torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       ( -0.605, -18.383,   7.628)  ( -0.545, -18.328,   7.526)  ( 3.60,  0.30,  1.33)
    bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
    angle   ( 55.828,  22.932,  20.848)  ( 55.838,  22.942,  20.855)  ( 0.02,  0.04,  0.03)
    torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
    oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
    vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (  8.570, -11.299,  -0.682)  (  8.612, -11.256,  -0.712)  ( 0.50,  0.38,  2.00)
    bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
    angle   (-40.902,  22.723,  -1.041)  (-40.893,  22.734,  -1.034)  ( 0.02,  0.04,  0.67)
    torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
    oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
    vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-341.796, -77.302, -35.133)  (-341.753, -77.237, -35.008)  ( 0.01,  0.08,  0.36)
    bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
    angle   (-211.377, -221.153,   8.252)  (-211.361, -221.133,   8.252)  ( 0.01,  0.01,  0.00)
    torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
    oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
    vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-44.691,  -0.006,  -5.779)  (-44.653,   0.035,  -5.747)  ( 0.09,  0.03,  0.56)
    bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
    angle   (-79.994,  44.857, -15.077)  (-79.983,  44.870, -15.077)  ( 0.01,  0.03,  0.00)
    torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
    oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
    vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       ( 94.312,   3.627,   8.222)  ( 94.352,   3.668,   8.258)  ( 0.04,  1.11,  0.44)
    bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
    angle   ( 82.261,  32.463,   3.911)  ( 82.275,  32.472,   3.912)  ( 0.02,  0.03,  0.01)
    torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
    oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
    vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( 24.818, -92.571,  15.074)  ( 24.858, -92.532,  15.089)  ( 0.16,  0.04,  0.10)
    bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
    angle   ( -4.138, -87.419,  12.744)  ( -4.129, -87.406,  12.744)  ( 0.23,  0.01,  0.00)
    torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
    oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
    vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-12.213,  45.557,  -6.955)  (-12.174,  45.599,  -6.918)  ( 0.32,  0.09,  0.53)
    bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
    angle   (-64.406,  60.201, -13.618)  (-64.394,  60.213, -13.618)  ( 0.02,  0.02,  0.00)
    torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
    oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
    vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-45.008, 374.320, -63.055)  (-44.948, 374.361, -63.083)  ( 0.14,  0.01,  0.05)
    bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
    angle   (182.514, 277.577, -24.241)  (182.533, 277.593, -24.241)  ( 0.01,  0.01,  0.00)
    torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
    oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
    vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (208.459, -83.453,  86.899)  (208.556, -83.451,  86.489)  ( 0.05,  0.00,  0.47)
    bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
    angle   (155.077, 159.035, -10.333)  (155.090, 159.053, -10.332)  ( 0.01,  0.01,  0.01)
    torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
    oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
    vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (993.071, 291.394,  79.267)  (993.128, 291.409,  79.050)  ( 0.01,  0.01,  0.27)
    bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
    angle   (862.672, 291.844,  80.070)  (862.688, 291.857,  80.071)  ( 0.00,  0.00,  0.00)
    torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
    oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
    vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (-371.613, -439.858,  27.309)  (-371.591, -439.789,  27.519)  ( 0.01,  0.02,  0.77)
    bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
    angle   (-561.129, -260.086,  -1.108)  (-561.117, -260.079,  -1.108)  ( 0.00,  0.00,  0.03)
    torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
    oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
    vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-777.250, -304.954, -454.480)  (-777.233, -304.909, -454.329)  ( 0.00,  0.01,  0.03)
    bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
    angle   (-563.914, -309.440, -385.099)  (-563.906, -309.438, -385.095)  ( 0.00,  0.00,  0.00)
    torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
    oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
    vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-107.395, 237.410, 258.136)  (-107.379, 237.429, 258.137)  ( 0.02,  0.01,  0.00)
    bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
    angle   ( 53.440, -85.249, 243.859)  ( 53.442, -85.248, 243.861)  ( 0.00,  0.00,  0.00)
    torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (-21.616,  47.077,   2.208)  (-21.608,  47.083,   2.225)  ( 0.03,  0.01,  0.75)
    bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
    angle   (-42.583,  45.981,   0.956)  (-42.581,  45.983,   0.956)  ( 0.01,  0.00,  0.01)
    torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
    oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
    vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( -7.699, -44.596,   4.577)  ( -7.695, -44.582,   4.579)  ( 0.06,  0.03,  0.04)
    bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
    angle   ( -4.451,   0.214,  -4.937)  ( -4.448,   0.214,  -4.934)  ( 0.07,  0.00,  0.05)
    torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (  7.267, -16.135,  48.609)  (  7.272, -16.131,  48.619)  ( 0.07,  0.03,  0.02)
    bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
    angle   (-15.513,  31.047,  -1.906)  (-15.511,  31.049,  -1.905)  ( 0.01,  0.01,  0.04)
    torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       ( 22.106, -16.836, -49.646)  ( 22.109, -16.829, -49.635)  ( 0.01,  0.04,  0.02)
    bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
    angle   ( -4.921, -42.111,  25.400)  ( -4.919, -42.108,  25.401)  ( 0.03,  0.01,  0.00)
    torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (-32.971,  20.780, -22.865)  (-32.962,  20.786, -22.862)  ( 0.03,  0.03,  0.02)
    bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
    angle   (  4.332,   3.083,  -7.590)  (  4.333,   3.084,  -7.587)  ( 0.03,  0.05,  0.04)
    torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       ( 29.391,  32.363,   5.584)  ( 29.399,  32.369,   5.588)  ( 0.03,  0.02,  0.07)
    bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
    angle   (  2.194,  -0.127,  -6.372)  (  2.195,  -0.125,  -6.369)  ( 0.04,  0.02,  0.05)
    torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 24.103,  -8.778,  24.178)  ( 24.110,  -8.771,  24.183)  ( 0.03,  0.07,  0.02)
    bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
    angle   ( -9.745, -30.651, -14.688)  ( -9.744, -30.649, -14.687)  ( 0.01,  0.01,  0.01)
    torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       ( 15.748,  15.485, -36.923)  ( 15.752,  15.489, -36.913)  ( 0.03,  0.02,  0.03)
    bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
    angle   ( -3.704,  -4.122,  -4.254)  ( -3.702,  -4.120,  -4.253)  ( 0.05,  0.04,  0.03)
    torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-18.937,  28.983,  24.423)  (-18.933,  28.991,  24.428)  ( 0.02,  0.03,  0.02)
    bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
    angle   (-26.266,  -2.230, -13.074)  (-26.263,  -2.229, -13.073)  ( 0.01,  0.04,  0.01)
    torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (-22.872, -33.260, -28.499)  (-22.864, -33.251, -28.497)  ( 0.03,  0.03,  0.01)
    bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
    angle   ( 18.510, -15.990,  -1.671)  ( 18.511, -15.989,  -1.669)  ( 0.01,  0.01,  0.11)
    torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       (-12.511,   7.191,  43.667)  (-12.508,   7.196,  43.677)  ( 0.03,  0.07,  0.02)
    bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
    angle   ( 16.132,   4.737,   2.925)  ( 16.134,   4.739,   2.926)  ( 0.01,  0.03,  0.03)
    torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       ( 10.962,  44.620, -21.853)  ( 10.965,  44.626, -21.843)  ( 0.02,  0.01,  0.04)
    bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
    angle   ( 11.280,   2.411,   1.266)  ( 11.282,   2.412,   1.266)  ( 0.02,  0.05,  0.05)
    torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       ( -0.896,  -5.183,  -0.671)  ( -0.889,  -5.170,  -0.657)  ( 0.63,  0.24,  0.93)
    bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
    angle   (  2.193,  -1.582,   0.515)  (  2.196,  -1.580,   0.515)  ( 0.12,  0.08,  0.00)
    torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
    oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
    vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       (-26.256,   5.845,  -5.168)  (-26.242,   5.849,  -5.164)  ( 0.06,  0.07,  0.08)
    bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
    angle   (  0.251,   1.735,  -0.238)  (  0.252,   1.739,  -0.238)  ( 0.00,  0.22,  0.00)
    torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
    oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
    vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (-14.675,  22.955,  -4.944)  (-14.670,  22.969,  -4.933)  ( 0.04,  0.06,  0.22)
    bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
    angle   ( -2.762,  -1.267,  -0.113)  ( -2.758,  -1.266,  -0.113)  ( 0.12,  0.05,  0.00)
    torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
    oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
    vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (  1.683,   4.565,   2.503)  (  1.690,   4.578,   2.523)  ( 0.40,  0.29,  0.77)
    bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
    angle   ( -0.228,   0.171,   0.010)  ( -0.225,   0.173,   0.010)  ( 0.06,  0.02,  0.00)
    torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
    oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
    vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (345.604, -95.591, -20.691)  (345.591, -95.536, -20.440)  ( 0.00,  0.06,  1.21)
    bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
    angle   ( 41.826, -10.883,   7.585)  ( 41.830, -10.883,   7.585)  ( 0.01,  0.00,  0.00)
    torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
    oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
    vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 28 # gradients 
ok 29 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-158.060, -460.516, -55.514)  (-158.032, -460.485, -55.489)  ( 0.02,  0.01,  0.05)
    bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
    angle   (-161.499, -462.935, -54.488)  (-161.492, -462.928, -54.480)  ( 0.00,  0.00,  0.01)
    torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-180.269,  61.200, 305.191)  (-180.235,  61.229, 305.223)  ( 0.02,  0.05,  0.01)
    bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
    angle   (-182.087,  51.286, 303.102)  (-182.076,  51.297, 303.111)  ( 0.01,  0.02,  0.00)
    torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (140.986, 277.041, -208.209)  (141.310, 272.393, -211.326)  ( 0.23,  1.68,  1.50)
    bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
    angle   (137.920,  92.566, -313.240)  (137.930,  92.574, -313.231)  ( 0.01,  0.01,  0.00)
    torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
    oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
    vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-10.791, 271.978, 322.700)  (-10.765, 272.006, 322.730)  ( 0.25,  0.01,  0.01)
    bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
    angle   (-10.627, 266.759, 323.540)  (-10.618, 266.767, 323.547)  ( 0.08,  0.00,  0.00)
    torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (-401.919, -1011.639, -547.327)  (-397.916, -999.221, -530.639)  ( 1.00,  1.23,  3.05)
    bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
    angle   (-174.974, -513.602, 111.135)  (-174.965, -513.591, 111.146)  ( 0.01,  0.00,  0.01)
    torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
    oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
    vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (553.876, 686.624, 134.525)  (549.048, 680.654, 129.093)  ( 0.87,  0.87,  4.04)
    bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
    angle   (273.422, 405.451, -167.249)  (273.429, 405.462, -167.242)  ( 0.00,  0.00,  0.00)
    torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
    oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
    vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-653.641, -108.487, 141.728)  (-648.647, -110.139, 138.643)  ( 0.76,  1.52,  2.18)
    bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
    angle   (-327.434, -90.293,   9.062)  (-327.423, -90.284,   9.068)  ( 0.00,  0.01,  0.07)
    torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
    oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
    vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (247.638, -508.533, 535.930)  (244.916, -505.304, 532.918)  ( 1.10,  0.64,  0.56)
    bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
    angle   (151.911, -475.380, 556.412)  (151.925, -475.363, 556.423)  ( 0.01,  0.00,  0.00)
    torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
    oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
    vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (434.279, 433.234, -1167.422)  (429.298, 426.301, -1164.424)  ( 1.15,  1.60,  0.26)
    bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
    angle   (483.054, 499.467, -839.467)  (483.081, 499.484, -839.437)  ( 0.01,  0.00,  0.00)
    torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
    oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
    vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-303.244, -434.854, 1511.923)  (-303.422, -438.288, 1498.978)  ( 0.06,  0.79,  0.86)
    bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
    angle   (-386.531, -560.175, 1028.881)  (-386.509, -560.134, 1028.934)  ( 0.01,  0.01,  0.01)
    torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
    oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
    vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (418.449, 104.207, -162.254)  (379.416, 103.924, -130.109)  ( 9.33,  0.27, 19.81)
    bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
    angle   (248.960,  80.026, -330.623)  (248.971,  80.039, -330.612)  ( 0.00,  0.02,  0.00)
    torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
    oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
    vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (145.393, -38.425, -334.126)  (145.421, -38.398, -334.095)  ( 0.02,  0.07,  0.01)
    bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
    angle   (146.189, -36.918, -331.367)  (146.197, -36.909, -331.359)  ( 0.01,  0.02,  0.00)
    torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (-69.730, -3226.113, 6259.927)  ( 20.382, -3233.221, 6198.354)  (129.23,  0.22,  0.98)
    bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
    angle   ( 97.944, -3271.481, 6166.549)  ( 97.983, -3271.332, 6167.089)  ( 0.04,  0.00,  0.01)
    torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
    oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
    vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-2421.833, -942.102, -3592.692)  (-2432.450, -931.971, -3586.776)  ( 0.44,  1.08,  0.16)
    bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
    angle   (-2486.821, -916.144, -3607.395)  (-2486.730, -916.125, -3607.207)  ( 0.00,  0.00,  0.01)
    torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
    oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
    vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (2271.049, 4090.991, -2521.086)  (2231.561, 4088.969, -2494.961)  ( 1.74,  0.05,  1.04)
    bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
    angle   (2208.432, 4100.648, -2486.398)  (2208.517, 4100.871, -2486.326)  ( 0.00,  0.01,  0.00)
    torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
    oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
    vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( 28.718, 154.700, -17.368)  ( 28.732, 154.703, -17.366)  ( 0.05,  0.00,  0.01)
    bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
    angle   ( 27.205, 164.315, -20.573)  ( 27.205, 164.318, -20.571)  ( 0.00,  0.00,  0.01)
    torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (107.083,  86.370, -80.344)  (107.086,  86.377, -80.335)  ( 0.00,  0.01,  0.01)
    bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
    angle   (110.409,  85.777, -81.062)  (110.411,  85.778, -81.060)  ( 0.00,  0.00,  0.00)
    torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (159.373,  90.388,  86.681)  (159.375,  90.395,  86.690)  ( 0.00,  0.01,  0.01)
    bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
    angle   (160.624,  96.191,  95.946)  (160.625,  96.192,  95.947)  ( 0.00,  0.00,  0.00)
    torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( 22.366,  93.653,  37.231)  ( 22.371,  93.659,  37.242)  ( 0.03,  0.01,  0.03)
    bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
    angle   ( 23.858,  86.210,  34.597)  ( 23.861,  86.213,  34.598)  ( 0.01,  0.00,  0.00)
    torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (103.350,   7.060,  -6.290)  (103.354,   7.066,  -6.279)  ( 0.00,  0.09,  0.17)
    bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
    angle   (112.645,   9.401,  -7.950)  (112.649,   9.402,  -7.949)  ( 0.00,  0.01,  0.01)
    torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-52.059,   9.470, -74.075)  (-52.053,   9.483, -74.072)  ( 0.01,  0.13,  0.00)
    bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
    angle   (-60.450,  13.251, -65.808)  (-60.447,  13.252, -65.806)  ( 0.00,  0.00,  0.00)
    torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-76.414, -70.217, -153.926)  (-76.402, -70.214, -153.923)  ( 0.02,  0.00,  0.00)
    bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
    angle   (-79.733, -80.280, -157.185)  (-79.732, -80.278, -157.184)  ( 0.00,  0.00,  0.00)
    torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( 52.667, -85.190, -67.226)  ( 52.671, -85.184, -67.216)  ( 0.01,  0.01,  0.02)
    bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
    angle   ( 58.265, -95.897, -70.634)  ( 58.266, -95.894, -70.634)  ( 0.00,  0.00,  0.00)
    torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( 76.000,  -8.616, -123.914)  ( 76.004,  -8.604, -123.911)  ( 0.01,  0.13,  0.00)
    bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
    angle   ( 78.343, -14.127, -128.839)  ( 78.345, -14.127, -128.837)  ( 0.00,  0.00,  0.00)
    torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (-50.733,  44.169,  46.205)  (-50.328,  44.576,  47.331)  ( 0.80,  0.92,  2.44)
    bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
    angle   (-27.068,   7.907, -13.627)  (-27.065,   7.908, -13.626)  ( 0.01,  0.01,  0.00)
    torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
    oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
    vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (139.173, -88.100, -250.517)  (137.234, -86.835, -247.137)  ( 1.39,  1.44,  1.35)
    bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
    angle   ( -5.433, -26.078,  24.953)  ( -5.433, -26.075,  24.954)  ( 0.00,  0.01,  0.00)
    torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
    oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
    vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (-100.112, -47.328,  20.242)  (-97.080, -43.047,  19.690)  ( 3.03,  9.05,  2.72)
    bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
    angle   (-14.888,  36.691,   4.871)  (-14.886,  36.692,   4.872)  ( 0.01,  0.00,  0.00)
    torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
    oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
    vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (-334.013, 570.326, -337.373)  (-332.529, 571.431, -334.917)  ( 0.44,  0.19,  0.73)
    bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
    angle   (-308.636, 487.965, -323.879)  (-308.623, 487.990, -323.869)  ( 0.00,  0.01,  0.00)
    torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
    oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
    vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       (-14.596,   2.004,  78.509)  (-14.585,   2.012,  78.512)  ( 0.08,  0.38,  0.00)
    bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
    angle   (-17.857,   8.333,  89.838)  (-17.856,   8.335,  89.841)  ( 0.01,  0.03,  0.00)
    torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (-40.004, -29.159, 119.368)  (-40.002, -29.146, 119.371)  ( 0.01,  0.05,  0.00)
    bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
    angle   (-50.385, -29.907, 125.204)  (-50.383, -29.907, 125.206)  ( 0.00,  0.00,  0.00)
    torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-89.478,  58.870,  60.382)  (-89.472,  58.873,  60.393)  ( 0.01,  0.01,  0.02)
    bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
    angle   (-93.685,  65.330,  65.028)  (-93.682,  65.332,  65.028)  ( 0.00,  0.00,  0.00)
    torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       (  1.878,  67.860, 113.465)  (  1.890,  67.864, 113.468)  ( 0.65,  0.01,  0.00)
    bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
    angle   (  2.517,  67.624, 121.510)  (  2.517,  67.626, 121.512)  ( 0.01,  0.00,  0.00)
    torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       ( 53.862, -51.876, -75.654)  ( 53.851, -51.858, -75.663)  ( 0.02,  0.04,  0.01)
    bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
    angle   ( 66.012, -52.584, -61.844)  ( 66.009, -52.584, -61.847)  ( 0.00,  0.00,  0.00)
    torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 30 # gradients 
ok 31 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 76.551, -134.248, -27.790)  ( 76.764, -133.916, -28.472)  ( 0.28,  0.25,  2.45)
    bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
    angle   (  1.577, -111.114, -43.725)  (  1.586, -111.103, -43.718)  ( 0.56,  0.01,  0.02)
    torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
    oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
    vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-148.128, 232.758,  12.377)  (-148.911, 231.375,  15.853)  ( 0.53,  0.59, 28.09)
    bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
    angle   (-155.418, 100.335,  15.892)  (-155.394, 100.347,  15.896)  ( 0.02,  0.01,  0.03)
    torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
    oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
    vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-20.368, -42.338,   2.015)  (-20.364, -42.326,   2.016)  ( 0.02,  0.03,  0.06)
    bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
    angle   (  3.047,  -1.495,  -5.646)  (  3.049,  -1.494,  -5.644)  ( 0.08,  0.02,  0.04)
    torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-40.287,  20.351,  22.899)  (-40.280,  20.357,  22.905)  ( 0.02,  0.03,  0.03)
    bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
    angle   ( 14.643,   9.138,   5.258)  ( 14.645,   9.139,   5.259)  ( 0.01,  0.02,  0.03)
    torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( -7.250,   8.409, -46.055)  ( -7.248,   8.412, -46.043)  ( 0.04,  0.03,  0.03)
    bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
    angle   ( -2.071,  -0.954,  -0.111)  ( -2.068,  -0.952,  -0.110)  ( 0.13,  0.16,  0.00)
    torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       (  3.495,  24.549,  23.079)  (  3.836,  25.154,  21.713)  ( 9.76,  2.47,  5.92)
    bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
    angle   ( 47.126,  34.740,  22.342)  ( 47.132,  34.742,  22.343)  ( 0.01,  0.01,  0.01)
    torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
    oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
    vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (331.031, -334.837, 147.495)  (331.672, -333.776, 145.181)  ( 0.19,  0.32,  1.57)
    bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
    angle   (108.834, -134.114, -13.959)  (108.851, -134.102, -13.955)  ( 0.02,  0.01,  0.03)
    torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
    oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
    vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       ( -9.084, 126.130, -29.736)  ( -9.175, 125.892, -29.243)  ( 1.00,  0.19,  1.66)
    bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
    angle   (  8.797,   9.223,   1.708)  (  8.800,   9.225,   1.710)  ( 0.03,  0.02,  0.07)
    torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
    oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
    vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-1129.239, 398.636, 798.696)  (-1125.198, 402.321, 800.615)  ( 0.36,  0.92,  0.24)
    bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
    angle   (-985.341, 666.300, 891.413)  (-985.278, 666.324, 891.449)  ( 0.01,  0.00,  0.00)
    torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
    oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
    vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (  8.603, -75.184, 188.210)  (  9.573, -71.921, 190.479)  (11.28,  4.34,  1.21)
    bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
    angle   (  9.710, -62.159,  52.807)  (  9.725, -62.145,  52.819)  ( 0.16,  0.02,  0.02)
    torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
    oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
    vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (540.143, -641.509, 1140.564)  (540.352, -650.762, 1138.166)  ( 0.04,  1.44,  0.21)
    bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
    angle   (530.753, -1031.667, 1210.525)  (530.778, -1031.612, 1210.595)  ( 0.00,  0.01,  0.01)
    torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
    oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
    vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-24.155, -39.353, -27.866)  (-24.151, -39.348, -27.856)  ( 0.02,  0.01,  0.04)
    bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
    angle   (-27.753, -11.027,  11.170)  (-27.750, -11.025,  11.171)  ( 0.01,  0.02,  0.01)
    torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       ( 14.913, -33.051,   8.803)  ( 14.928, -33.036,   8.810)  ( 0.10,  0.05,  0.08)
    bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
    angle   (-20.063,  69.083, -57.060)  (-20.061,  69.088, -57.056)  ( 0.01,  0.01,  0.01)
    torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (456.671, 516.939, -2313.103)  (442.119, 501.214, -2318.619)  ( 3.19,  3.04,  0.24)
    bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
    angle   (374.979, 424.604, -2123.442)  (375.016, 424.632, -2123.272)  ( 0.01,  0.01,  0.01)
    torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
    oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
    vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( 49.610,  27.730,  35.984)  ( 49.615,  27.743,  35.987)  ( 0.01,  0.05,  0.01)
    bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
    angle   ( 48.163,  -1.970,   0.403)  ( 48.167,  -1.969,   0.405)  ( 0.01,  0.01,  0.08)
    torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       ( 15.391,  14.785,  75.414)  ( 25.540,  26.910,  79.138)  (65.94, 82.02,  4.94)
    bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
    angle   ( 70.348,  33.072,  18.987)  ( 70.352,  33.074,  18.987)  ( 0.01,  0.01,  0.00)
    torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
    oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
    vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-122.776, 146.787, -72.607)  (-122.741, 146.820, -72.574)  ( 0.03,  0.02,  0.05)
    bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
    angle   (-53.471,  87.252, -33.828)  (-53.457,  87.265, -33.815)  ( 0.03,  0.02,  0.04)
    torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (-113.482, -316.975, -107.413)  (-113.104, -310.868, -107.290)  ( 0.33,  1.93,  0.11)
    bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
    angle   (-113.653, -93.570, -89.170)  (-113.638, -93.554, -89.153)  ( 0.01,  0.02,  0.02)
    torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
    oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
    vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (  1.871, -21.131,   4.895)  (  1.900, -21.102,   4.924)  ( 1.55,  0.14,  0.60)
    bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
    angle   ( 38.107, -88.294, -15.980)  ( 38.116, -88.284, -15.971)  ( 0.02,  0.01,  0.06)
    torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( 22.966, -41.016,  17.594)  ( 22.995, -40.987,  17.623)  ( 0.13,  0.07,  0.17)
    bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
    angle   ( 58.085,   6.661,  54.151)  ( 58.094,   6.670,  54.161)  ( 0.02,  0.13,  0.02)
    torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (169.663, 301.297, 216.544)  (166.350, 300.703, 219.307)  ( 1.95,  0.20,  1.28)
    bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
    angle   (172.433, 221.816, 186.922)  (172.444, 221.834, 186.932)  ( 0.01,  0.01,  0.01)
    torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
    oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
    vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (  1.233,  33.762,  35.904)  (  1.239,  33.768,  35.915)  ( 0.43,  0.02,  0.03)
    bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
    angle   ( 23.000,  18.199,  -8.642)  ( 23.003,  18.202,  -8.641)  ( 0.02,  0.01,  0.01)
    torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (-93.601, -359.033, -150.702)  (-92.922, -358.859, -151.258)  ( 0.73,  0.05,  0.37)
    bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
    angle   (-95.503, -265.935, -151.124)  (-95.500, -265.922, -151.119)  ( 0.00,  0.00,  0.00)
    torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
    oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
    vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       ( 20.256, -33.956,  16.857)  ( 20.263, -33.949,  16.861)  ( 0.04,  0.02,  0.03)
    bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
    angle   (-11.852, -16.806,  -6.936)  (-11.850, -16.804,  -6.934)  ( 0.01,  0.01,  0.02)
    torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( 10.980,  21.764, -36.215)  ( 10.986,  21.770, -36.208)  ( 0.05,  0.03,  0.02)
    bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
    angle   (-17.059,  -6.237, -19.734)  (-17.057,  -6.235, -19.732)  ( 0.01,  0.02,  0.01)
    torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (-27.941,  26.313,  21.232)  (-27.936,  26.319,  21.240)  ( 0.02,  0.03,  0.04)
    bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
    angle   (-26.177,  -6.448,  -7.794)  (-26.175,  -6.447,  -7.793)  ( 0.01,  0.02,  0.01)
    torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( 20.726, -29.222,  23.069)  ( 20.734, -29.214,  23.073)  ( 0.04,  0.03,  0.02)
    bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
    angle   ( -6.102,   6.429,  22.899)  ( -6.101,   6.430,  22.901)  ( 0.02,  0.02,  0.01)
    torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       (-42.697,  -7.370, -15.997)  (-42.689,  -7.364, -15.992)  ( 0.02,  0.08,  0.03)
    bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
    angle   (-21.788,  13.487,  16.936)  (-21.787,  13.488,  16.937)  ( 0.01,  0.01,  0.01)
    torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 16.274,  33.749, -19.678)  ( 16.279,  33.755, -19.671)  ( 0.03,  0.02,  0.04)
    bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
    angle   (-10.497,  22.512,  11.172)  (-10.495,  22.514,  11.173)  ( 0.01,  0.01,  0.01)
    torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (160.875, 125.878, 194.086)  (160.881, 125.902, 194.093)  ( 0.00,  0.02,  0.00)
    bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
    angle   (114.245,  45.024, 137.950)  (114.247,  45.024, 137.954)  ( 0.00,  0.00,  0.00)
    torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-142.950,  48.660, -139.366)  (-141.307,  49.015, -140.677)  ( 1.15,  0.73,  0.94)
    bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
    angle   (-77.396,  63.652, -83.782)  (-77.393,  63.654, -83.778)  ( 0.00,  0.00,  0.00)
    torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
    oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
    vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 32 # gradients 
ok 33 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       ( 56.633, -10.593,  -0.077)  ( 56.680, -10.566,  -0.042)  ( 0.08,  0.25,  0.27)
    bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
    angle   ( 48.489,  -9.137,  -0.114)  ( 48.505,  -9.133,  -0.105)  ( 0.03,  0.05,  0.10)
    torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
    oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       ( 18.863,  -9.361,  14.235)  ( 18.909,  -9.313,  14.261)  ( 0.24,  0.51,  0.18)
    bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
    angle   (-29.954,  18.177,  18.840)  (-29.942,  18.183,  18.851)  ( 0.04,  0.03,  0.06)
    torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
    oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
    vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       ( 16.504,  -1.399, -23.181)  ( 16.538,  -1.414, -23.114)  ( 0.20,  1.06,  0.29)
    bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
    angle   (-37.183,   4.326,  -1.369)  (-37.170,   4.331,  -1.358)  ( 0.04,  0.13,  0.81)
    torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
    oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
    vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       (-41.238,   7.892,   0.009)  (-41.193,   7.923,   0.045)  ( 0.11,  0.39,  0.03)
    bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
    angle   ( 16.959,  -3.218,  -0.066)  ( 16.975,  -3.212,  -0.057)  ( 0.09,  0.20,  0.06)
    torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
    oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       ( 15.528,  -4.084,  22.237)  ( 15.577,  -4.014,  22.248)  ( 0.32,  1.72,  0.05)
    bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
    angle   (-36.393,   9.383,   1.389)  (-36.381,   9.389,   1.401)  ( 0.03,  0.07,  0.80)
    torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
    oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
    vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( 21.139,   0.959, -14.087)  ( 21.179,   0.970, -14.037)  ( 0.19,  1.06,  0.35)
    bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
    angle   (-34.437,  -6.120, -18.790)  (-34.424,  -6.115, -18.779)  ( 0.04,  0.08,  0.06)
    torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
    oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
    vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       ( 34.930,  -6.272,  -0.208)  ( 34.974,  -6.235,  -0.180)  ( 0.12,  0.59,  0.56)
    bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
    angle   ( 10.844,  -2.038,   0.012)  ( 10.859,  -2.028,   0.017)  ( 0.14,  0.46,  0.01)
    torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
    oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (-66.804,  -2.769,  13.260)  (-66.765,  -2.731,  13.288)  ( 0.06,  1.38,  0.21)
    bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
    angle   ( -8.641, -49.908,  30.652)  ( -8.631, -49.898,  30.656)  ( 0.12,  0.02,  0.01)
    torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
    oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
    vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (247.014, 122.685, -100.800)  (247.057, 122.727, -100.773)  ( 0.02,  0.03,  0.03)
    bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
    angle   (185.154,  60.879, -56.970)  (185.166,  60.889, -56.966)  ( 0.01,  0.02,  0.01)
    torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
    oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-221.490,  41.466,   0.190)  (-221.460,  41.501,   0.210)  ( 0.01,  0.08,  0.39)
    bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
    angle   (-236.423,  44.181,   0.208)  (-236.409,  44.184,   0.209)  ( 0.01,  0.01,  0.03)
    torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
    oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
    vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (185.403, -203.865, 100.277)  (185.448, -203.824, 100.304)  ( 0.02,  0.02,  0.03)
    bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
    angle   (150.584, -123.611,  56.641)  (150.595, -123.598,  56.645)  ( 0.01,  0.01,  0.01)
    torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
    oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
    vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-60.498,  26.165, -12.871)  (-60.458,  26.200, -12.846)  ( 0.07,  0.13,  0.19)
    bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
    angle   ( 10.053,  49.490, -30.589)  ( 10.065,  49.500, -30.585)  ( 0.12,  0.02,  0.01)
    torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
    oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
    vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       ( -0.337,   7.232,  -4.751)  ( -0.328,   7.241,  -4.743)  ( 0.28,  0.13,  0.17)
    bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
    angle   ( -7.937,   5.536,  -2.404)  ( -7.934,   5.537,  -2.404)  ( 0.03,  0.02,  0.01)
    torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
    oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
    vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-55.356,  -5.826,   9.862)  (-55.350,  -5.815,   9.868)  ( 0.01,  0.19,  0.06)
    bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
    angle   (-52.116, -17.541,  16.279)  (-52.112, -17.541,  16.280)  ( 0.01,  0.00,  0.00)
    torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
    oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       (-11.074, -15.880, -19.078)  (-11.042, -15.836, -19.057)  ( 0.30,  0.28,  0.11)
    bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
    angle   ( 46.758,  11.164,  30.755)  ( 46.768,  11.172,  30.764)  ( 0.02,  0.07,  0.03)
    torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
    oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
    vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-58.385,  10.936,   0.089)  (-58.367,  10.941,   0.093)  ( 0.03,  0.04,  0.04)
    bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
    angle   (  0.005,   0.026,   0.039)  (  0.005,   0.027,   0.042)  ( 0.00,  0.00,  0.01)
    torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-50.023,  31.408,  33.750)  (-50.015,  31.415,  33.763)  ( 0.02,  0.02,  0.04)
    bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
    angle   (  8.173,   1.077,   3.920)  (  8.177,   1.077,   3.920)  ( 0.05,  0.01,  0.02)
    torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
    oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
    vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       ( -4.608,  18.458,  19.589)  ( -4.580,  18.475,  19.627)  ( 0.61,  0.09,  0.20)
    bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
    angle   ( 39.647, -27.449, -30.720)  ( 39.658, -27.441, -30.712)  ( 0.03,  0.03,  0.03)
    torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
    oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
    vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       (-57.950, -11.079, -33.585)  (-57.939, -11.072, -33.574)  ( 0.02,  0.07,  0.03)
    bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
    angle   (  7.201,  -3.949,  -3.918)  (  7.204,  -3.948,  -3.917)  ( 0.04,  0.02,  0.02)
    torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
    oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
    vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       ( -2.799,  -6.663,   4.697)  ( -2.793,  -6.652,   4.704)  ( 0.19,  0.17,  0.14)
    bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
    angle   ( -9.286,  -2.268,   2.388)  ( -9.283,  -2.268,   2.388)  ( 0.04,  0.01,  0.01)
    torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
    oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
    vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (-49.485,  25.570,  -9.817)  (-49.476,  25.578,  -9.811)  ( 0.02,  0.03,  0.06)
    bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
    angle   (-42.315,  35.238, -16.225)  (-42.312,  35.240, -16.225)  ( 0.01,  0.01,  0.00)
    torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
    oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
    vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       ( 18.465, -36.699,  15.987)  ( 18.470, -36.690,  15.993)  ( 0.03,  0.02,  0.03)
    bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
    angle   (  2.786,  -8.831, -15.519)  (  2.787,  -8.830, -15.517)  ( 0.06,  0.02,  0.01)
    torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       ( 36.504,  15.344, -24.436)  ( 36.511,  15.352, -24.432)  ( 0.02,  0.05,  0.02)
    bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
    angle   (  2.353,  -9.170, -12.064)  (  2.355,  -9.169, -12.062)  ( 0.05,  0.01,  0.02)
    torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (-10.509,  28.317,  29.243)  (-10.502,  28.322,  29.251)  ( 0.07,  0.02,  0.03)
    bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
    angle   (-24.786,  -5.620, -16.825)  (-24.784,  -5.618, -16.824)  ( 0.01,  0.03,  0.01)
    torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       ( 30.688,  27.516, -15.964)  ( 30.696,  27.521, -15.959)  ( 0.03,  0.02,  0.03)
    bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
    angle   (  5.772,   7.218,  15.409)  (  5.773,   7.220,  15.411)  ( 0.02,  0.03,  0.01)
    torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (-20.124, -22.315, -29.452)  (-20.115, -22.312, -29.444)  ( 0.04,  0.02,  0.03)
    bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
    angle   (-21.077,  14.301,  16.841)  (-21.075,  14.303,  16.842)  ( 0.01,  0.01,  0.01)
    torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       ( 28.342, -27.701,  24.352)  ( 28.346, -27.691,  24.356)  ( 0.01,  0.04,  0.02)
    bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
    angle   (  5.563,   7.744,  12.079)  (  5.564,   7.745,  12.081)  ( 0.03,  0.01,  0.02)
    torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 34 # gradients 
ok 35 # energy 
V A L I D A T E   G R A D I E N T S
ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
----------------------------------------------------------------------------------------
 1       (-88.780, -161.880, -63.367)  (-85.561, -172.832, -62.782)  ( 3.63,  6.77,  0.92)
    bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
    angle   (-61.018, -168.083, -31.460)  (-61.008, -168.071, -31.449)  ( 0.02,  0.01,  0.03)
    torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
    oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
    vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 2       (-102.208,  38.931,  82.883)  (-102.167,  43.081,  82.441)  ( 0.04, 10.66,  0.53)
    bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
    angle   (-30.235,  74.711,  51.062)  (-30.223,  74.723,  51.077)  ( 0.04,  0.02,  0.03)
    torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
    oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
    vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 3       (-61.745, -64.232,  80.958)  (-59.753, -68.445,  80.030)  ( 3.23,  6.56,  1.15)
    bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
    angle   (-16.869, -77.062,  -0.293)  (-16.855, -77.050,  -0.280)  ( 0.08,  0.02,  0.37)
    torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
    oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
    vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 4       ( -5.133, 106.950,  23.693)  ( -9.435, 119.955,  22.418)  (83.79, 12.16,  5.38)
    bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
    angle   ( -4.586, 145.000,  35.489)  ( -4.575, 145.012,  35.500)  ( 0.23,  0.01,  0.03)
    torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
    oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
    vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 5       (101.351, -23.235, -58.457)  (101.419, -27.926, -57.713)  ( 0.07, 20.19,  1.27)
    bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
    angle   ( 24.043, -66.397, -32.211)  ( 24.056, -66.385, -32.196)  ( 0.05,  0.02,  0.05)
    torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
    oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
    vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 6       ( 78.681,  78.449, -78.371)  ( 77.153,  82.185, -77.431)  ( 1.94,  4.76,  1.20)
    bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
    angle   ( 28.602,  87.487,  -7.264)  ( 28.616,  87.499,  -7.252)  ( 0.05,  0.01,  0.17)
    torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
    oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
    vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 7       (-42.799, -51.022, -64.372)  (-40.409, -55.002, -62.759)  ( 5.58,  7.80,  2.50)
    bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
    angle   (-13.072, -58.268, -31.976)  (-13.061, -58.258, -31.965)  ( 0.08,  0.02,  0.03)
    torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
    oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
    vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 8       (581.341, -408.767, -447.106)  (579.749, -405.593, -447.966)  ( 0.27,  0.78,  0.19)
    bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
    angle   (292.456, -147.174, -195.401)  (292.463, -147.163, -195.391)  ( 0.00,  0.01,  0.00)
    torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
    oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
    vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
 9       (-247.802,  41.282, 376.108)  (-247.798,  41.287, 376.128)  ( 0.00,  0.01,  0.01)
    bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
    angle   (-141.177, 168.404,  13.641)  (-141.174, 168.407,  13.642)  ( 0.00,  0.00,  0.01)
    torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
10       (-170.971, 414.148, 101.627)  (-170.968, 414.172, 101.630)  ( 0.00,  0.01,  0.00)
    bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
    angle   (-123.770,  11.883, 155.322)  (-123.767,  11.883, 155.326)  ( 0.00,  0.00,  0.00)
    torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
11       (-23.061, -18.918,   5.909)  (-23.024, -18.848,   5.794)  ( 0.16,  0.37,  1.94)
    bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
    angle   ( 67.744, -38.325, -30.133)  ( 67.758, -38.314, -30.130)  ( 0.02,  0.03,  0.01)
    torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
    oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
    vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
12       (-48.558, -10.806, -19.499)  (-48.516, -10.797, -19.344)  ( 0.09,  0.08,  0.80)
    bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
    angle   ( -0.709,  43.354,  10.609)  ( -0.697,  43.365,  10.610)  ( 0.88,  0.03,  0.01)
    torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
    oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
    vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
13       (  8.512, -175.943, -82.127)  (  8.560, -175.980, -81.796)  ( 0.57,  0.02,  0.40)
    bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
    angle   ( 24.861, -144.003, -37.420)  ( 24.870, -143.989, -37.419)  ( 0.04,  0.01,  0.00)
    torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
    oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
    vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
14       (-39.417, 113.716,  94.693)  (-39.379, 113.922,  94.105)  ( 0.10,  0.18,  0.62)
    bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
    angle   (-85.282, 115.895,  34.746)  (-85.266, 115.913,  34.747)  ( 0.02,  0.02,  0.00)
    torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
    oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
    vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
15       ( -0.901,  57.432, -46.702)  ( -0.873,  57.402, -46.324)  ( 2.57,  0.05,  0.81)
    bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
    angle   (-10.920,  38.956,  13.782)  (-10.903,  38.971,  13.783)  ( 0.15,  0.04,  0.01)
    torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
    oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
    vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
16       (-68.506,  82.737,  43.130)  (-68.465,  82.864,  42.832)  ( 0.06,  0.15,  0.69)
    bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
    angle   (-66.806,  36.168,   8.213)  (-66.796,  36.182,   8.214)  ( 0.01,  0.04,  0.01)
    torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
    oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
    vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
17       (-191.715, -394.209, -129.609)  (-191.676, -394.229, -129.374)  ( 0.02,  0.00,  0.18)
    bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
    angle   (-41.202, -48.951,  12.513)  (-41.196, -48.942,  12.517)  ( 0.01,  0.02,  0.03)
    torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
    oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
    vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
18       (110.083, 216.162, -30.120)  (110.117, 216.204, -30.086)  ( 0.03,  0.02,  0.11)
    bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
    angle   ( 79.872,  39.710, -53.536)  ( 79.883,  39.723, -53.525)  ( 0.01,  0.03,  0.02)
    torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
19       ( -6.876, -39.632,  45.914)  ( -6.848, -39.603,  45.943)  ( 0.41,  0.07,  0.06)
    bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
    angle   (-21.918, -31.874,  59.161)  (-21.910, -31.865,  59.170)  ( 0.04,  0.03,  0.01)
    torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
20       (  1.003, -293.472,   6.028)  (  1.083, -293.414,   5.977)  ( 8.00,  0.02,  0.84)
    bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
    angle   ( 21.680, 103.269, -23.224)  ( 21.699, 103.291, -23.221)  ( 0.09,  0.02,  0.01)
    torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
    oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
    vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
21       (119.792, 617.193,  25.259)  (119.832, 617.234,  25.261)  ( 0.03,  0.01,  0.01)
    bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
    angle   (-16.908,  86.805, -15.678)  (-16.892,  86.809, -15.676)  ( 0.09,  0.00,  0.01)
    torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
    oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
    vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
22       (-36.037, -63.027,   5.403)  (-36.027, -62.963,   5.535)  ( 0.03,  0.10,  2.45)
    bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
    angle   (169.383, -71.030,  71.186)  (169.399, -71.010,  71.188)  ( 0.01,  0.03,  0.00)
    torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
    oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
    vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
23       (-18.522, -27.488, -13.186)  (-18.514, -27.423, -13.045)  ( 0.05,  0.24,  1.07)
    bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
    angle   (-183.019, 163.161, -72.656)  (-183.000, 163.179, -72.654)  ( 0.01,  0.01,  0.00)
    torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
    oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
    vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
24       (-333.056, 466.295, -152.154)  (-332.898, 466.339, -152.368)  ( 0.05,  0.01,  0.14)
    bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
    angle   (-258.694, 174.104, -116.240)  (-258.680, 174.130, -116.240)  ( 0.01,  0.02,  0.00)
    torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
    oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
    vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
25       (122.379, -292.426,  57.159)  (122.492, -292.380,  57.026)  ( 0.09,  0.02,  0.23)
    bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
    angle   (108.014, -414.541,  71.123)  (108.023, -414.517,  71.124)  ( 0.01,  0.01,  0.00)
    torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
    oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
    vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
26       (-215.619, -56.264, -68.648)  (-215.599, -56.213, -68.558)  ( 0.01,  0.09,  0.13)
    bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
    angle   (-90.594,  91.678, -65.193)  (-90.579,  91.694, -65.188)  ( 0.02,  0.02,  0.01)
    torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
    oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
    vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
27       (307.631, -200.992, 101.067)  (307.694, -200.952, 101.024)  ( 0.02,  0.02,  0.04)
    bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
    angle   ( 46.946, -35.213,  18.205)  ( 46.951, -35.196,  18.207)  ( 0.01,  0.05,  0.01)
    torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
    oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
    vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
28       ( 81.519, -167.018,  42.839)  ( 81.554, -166.951,  42.935)  ( 0.04,  0.04,  0.22)
    bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
    angle   (206.186, -293.843,  97.910)  (206.204, -293.827,  97.914)  ( 0.01,  0.01,  0.00)
    torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
    oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
    vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
29       ( 27.742,  78.420,   1.930)  ( 27.701,  78.444,   2.113)  ( 0.15,  0.03,  9.46)
    bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
    angle   ( 28.879,  75.410,   7.135)  ( 28.880,  75.419,   7.134)  ( 0.00,  0.01,  0.01)
    torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
    oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
    vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
30       (-51.634, 166.007, -28.032)  (-51.583, 166.038, -28.037)  ( 0.10,  0.02,  0.02)
    bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
    angle   ( -4.359, 142.247, -12.583)  ( -4.348, 142.260, -12.574)  ( 0.24,  0.01,  0.07)
    torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
    oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
    vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
31       (-37.673, -44.569,   4.101)  (-37.621, -44.541,   4.079)  ( 0.14,  0.06,  0.53)
    bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
    angle   (-62.868, -60.489,  27.441)  (-62.857, -60.477,  27.450)  ( 0.02,  0.02,  0.03)
    torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
    oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
    vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
32       ( 16.599,  36.069, -10.834)  ( 16.629,  36.100, -10.803)  ( 0.18,  0.09,  0.29)
    bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
    angle   ( 18.121,  55.406, -24.065)  ( 18.131,  55.416, -24.055)  ( 0.05,  0.02,  0.04)
    torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
33       ( -4.569, -26.434, -17.279)  ( -4.541, -26.405, -17.250)  ( 0.61,  0.11,  0.17)
    bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
    angle   ( -1.003, -65.158, -17.388)  ( -0.995, -65.150, -17.380)  ( 0.78,  0.01,  0.05)
    torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
34       (  8.987,  -5.389,  -4.922)  (  8.993,  -5.376,  -4.919)  ( 0.06,  0.24,  0.06)
    bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
    angle   ( 12.440,   4.043, -10.432)  ( 12.443,   4.044, -10.430)  ( 0.03,  0.01,  0.02)
    torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
35       (  7.908,   3.669, -14.098)  (  7.913,   3.674, -14.086)  ( 0.06,  0.12,  0.09)
    bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
    angle   ( 17.106,  -2.386,   3.469)  ( 17.109,  -2.384,   3.470)  ( 0.02,  0.08,  0.02)
    torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
36       ( 13.049,   2.644,   7.750)  ( 13.063,   2.647,   7.755)  ( 0.10,  0.11,  0.06)
    bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
    angle   ( -0.509,   7.232,  -6.369)  ( -0.509,   7.234,  -6.365)  ( 0.00,  0.03,  0.06)
    torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
37       (  7.430,   6.472,   2.810)  (  7.434,   6.485,   2.815)  ( 0.05,  0.20,  0.17)
    bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
    angle   ( 12.175,   2.009, -11.230)  ( 12.178,   2.009, -11.227)  ( 0.02,  0.01,  0.03)
    torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
38       (  4.935,   1.179,  14.506)  (  4.940,   1.183,  14.518)  ( 0.10,  0.36,  0.08)
    bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
    angle   ( -7.913,   5.363,   0.145)  ( -7.909,   5.365,   0.146)  ( 0.04,  0.04,  0.01)
    torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
39       (  0.054,   4.743,   8.641)  (  0.060,   4.755,   8.644)  ( 0.03,  0.27,  0.04)
    bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
    angle   (-13.304,  -4.351,  10.457)  (-13.300,  -4.350,  10.460)  ( 0.02,  0.01,  0.02)
    torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
40       (-15.697,  -3.896,   5.021)  (-15.683,  -3.893,   5.026)  ( 0.09,  0.08,  0.09)
    bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
    angle   (  1.831,  -7.565,  14.106)  (  1.831,  -7.562,  14.110)  ( 0.01,  0.03,  0.03)
    torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
41       ( -2.510,  -8.315,   7.727)  ( -2.506,  -8.302,   7.732)  ( 0.16,  0.16,  0.06)
    bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
    angle   (-11.526,  -1.413,  15.339)  (-11.524,  -1.413,  15.343)  ( 0.02,  0.01,  0.02)
    torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
42       (  2.283,   3.601,   3.659)  (  2.286,   3.614,   3.662)  ( 0.16,  0.37,  0.09)
    bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
    angle   ( 16.569,   5.649,  20.625)  ( 16.571,   5.649,  20.628)  ( 0.01,  0.00,  0.01)
    torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
43       (  7.944,   2.869,   2.204)  (  7.958,   2.872,   2.207)  ( 0.17,  0.09,  0.16)
    bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
    angle   (  2.645,   5.915,  18.868)  (  2.645,   5.918,  18.871)  ( 0.00,  0.04,  0.01)
    torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
44       (  0.699,   0.919,   8.721)  (  0.702,   0.923,   8.734)  ( 0.23,  0.39,  0.14)
    bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
    angle   ( 16.126,   9.173,   7.060)  ( 16.128,   9.176,   7.060)  ( 0.01,  0.03,  0.01)
    torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
45       ( 38.858,  44.190,   7.853)  ( 38.868,  44.209,   7.820)  ( 0.02,  0.04,  0.42)
    bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
    angle   ( -4.708,   4.469,   1.106)  ( -4.706,   4.471,   1.106)  ( 0.04,  0.04,  0.01)
    torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
    oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
    vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
46       (-19.588,  57.602,  23.544)  (-19.583,  57.629,  23.499)  ( 0.03,  0.05,  0.19)
    bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
    angle   ( 38.885,   7.425,   1.362)  ( 38.889,   7.425,   1.362)  ( 0.01,  0.00,  0.00)
    torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
    oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
    vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
47       ( 12.391, -47.980, -29.502)  ( 12.397, -48.005, -29.356)  ( 0.05,  0.05,  0.50)
    bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
    angle   ( 16.394,   4.496,   0.818)  ( 16.398,   4.497,   0.818)  ( 0.02,  0.01,  0.00)
    torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
    oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
    vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
48       (-13.433, -21.195,  16.440)  (-13.419, -21.190,  16.443)  ( 0.10,  0.02,  0.02)
    bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
    angle   (  2.047, -24.584,   5.957)  (  2.047, -24.580,   5.960)  ( 0.01,  0.02,  0.04)
    torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
49       (  6.753, -15.675,   8.313)  (  6.759, -15.669,   8.322)  ( 0.09,  0.04,  0.11)
    bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
    angle   (-31.903,  -8.063,  23.515)  (-31.901,  -8.060,  23.516)  ( 0.01,  0.04,  0.00)
    torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
50       ( -1.985,  13.455, -14.408)  ( -1.981,  13.468, -14.406)  ( 0.20,  0.09,  0.02)
    bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
    angle   (  6.154,   3.745, -17.678)  (  6.155,   3.745, -17.675)  ( 0.03,  0.01,  0.01)
    torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
51       (  5.310,  10.556, -15.173)  (  5.323,  10.559, -15.169)  ( 0.25,  0.03,  0.02)
    bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
    angle   ( -9.775,  18.072, -27.581)  ( -9.774,  18.074, -27.579)  ( 0.00,  0.01,  0.01)
    torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
52       (  0.669,   5.183, -18.800)  (  0.674,   5.188, -18.791)  ( 0.36,  0.10,  0.05)
    bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
    angle   (  6.624,  14.432, -13.712)  (  6.626,  14.433, -13.711)  ( 0.02,  0.01,  0.01)
    torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
53       (161.354, -31.523, 165.437)  (161.334, -31.492, 165.511)  ( 0.01,  0.10,  0.04)
    bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
    angle   ( 32.444,   5.406,  10.954)  ( 32.448,   5.406,  10.955)  ( 0.01,  0.00,  0.01)
    torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
    oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
    vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
54       (  6.742, -11.433,   4.624)  (  6.746, -11.421,   4.627)  ( 0.07,  0.11,  0.06)
    bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
    angle   (  4.060,  -1.505,   1.804)  (  4.062,  -1.504,   1.806)  ( 0.07,  0.02,  0.12)
    torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
55       (  3.012,   2.579,  11.513)  (  3.019,   2.585,  11.520)  ( 0.24,  0.22,  0.06)
    bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
    angle   (  0.091,  -5.828,   4.961)  (  0.093,  -5.827,   4.963)  ( 0.02,  0.02,  0.03)
    torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
56       ( 10.233,  -0.738,  -8.069)  ( 10.237,  -0.734,  -8.057)  ( 0.03,  0.33,  0.15)
    bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
    angle   (  3.502,  -6.227,  -2.743)  (  3.505,  -6.225,  -2.742)  ( 0.10,  0.03,  0.01)
    torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
57       ( -6.889, -14.506,  -1.888)  ( -6.886, -14.496,  -1.881)  ( 0.04,  0.07,  0.35)
    bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
    angle   (  8.518,   7.030,  -9.261)  (  8.520,   7.031,  -9.259)  ( 0.03,  0.01,  0.02)
    torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
58       (  8.911,  -1.711, -20.980)  (  8.922,  -1.706, -20.977)  ( 0.13,  0.34,  0.01)
    bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
    angle   (  2.672,  -7.199, -11.858)  (  2.673,  -7.197, -11.855)  ( 0.02,  0.03,  0.02)
    torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59       ( -8.867, -11.684,  -0.347)  ( -8.856, -11.678,  -0.343)  ( 0.12,  0.05,  0.13)
    bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
    angle   (  6.297,  -9.512,   5.587)  (  6.298,  -9.511,   5.590)  ( 0.01,  0.02,  0.05)
    torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
60       (  0.760, -21.580,  10.100)  (  0.769, -21.573,  10.104)  ( 0.69,  0.03,  0.04)
    bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
    angle   ( -5.784,  -5.930,   2.289)  ( -5.783,  -5.929,   2.292)  ( 0.02,  0.02,  0.12)
    torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
61       (  2.972,  12.777,  16.665)  (  2.974,  12.781,  16.678)  ( 0.09,  0.03,  0.08)
    bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
    angle   ( -1.936,  20.224,   5.953)  ( -1.934,  20.227,   5.953)  ( 0.09,  0.01,  0.00)
    torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
62       (  0.845,  16.600,   3.889)  (  0.856,  16.606,   3.892)  ( 0.89,  0.04,  0.07)
    bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
    angle   ( -6.674,  12.423,  14.764)  ( -6.674,  12.425,  14.766)  ( 0.01,  0.01,  0.01)
    torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
63       ( -5.652,  11.623,   8.835)  ( -5.643,  11.629,   8.839)  ( 0.16,  0.06,  0.04)
    bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
    angle   (  5.242,  13.754,  20.662)  (  5.242,  13.756,  20.664)  ( 0.02,  0.01,  0.01)
    torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
    oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
    vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
    electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
ok 36 # gradients 
1..36
        Start 127: test_formalcharge_1
127/160 Test #127: test_formalcharge_1 ..............   Passed    3.07 sec
        Start 128: test_format_1
128/160 Test #128: test_format_1 ....................   Passed    0.97 sec
        Start 129: test_formula_1
129/160 Test #129: test_formula_1 ...................   Passed    3.15 sec
        Start 130: test_internalcoord_1
130/160 Test #130: test_internalcoord_1 .............   Passed    0.12 sec
        Start 131: test_invalidsmarts_1
131/160 Test #131: test_invalidsmarts_1 .............   Passed    0.18 sec
        Start 132: test_invalidsmiles_1
132/160 Test #132: test_invalidsmiles_1 .............   Passed    0.13 sec
        Start 133: test_iterators_1
133/160 Test #133: test_iterators_1 .................   Passed    3.01 sec
        Start 134: test_logp_psa_1
134/160 Test #134: test_logp_psa_1 ..................   Passed    1.22 sec
        Start 135: test_math_1
135/160 Test #135: test_math_1 ......................   Passed    0.88 sec
        Start 136: test_math_2
136/160 Test #136: test_math_2 ......................   Passed    0.49 sec
        Start 137: test_math_3
137/160 Test #137: test_math_3 ......................   Passed    0.15 sec
        Start 138: test_math_4
138/160 Test #138: test_math_4 ......................   Passed    0.41 sec
        Start 139: test_mol_1
139/160 Test #139: test_mol_1 .......................   Passed    1.09 sec
        Start 140: test_phmodel_1
140/160 Test #140: test_phmodel_1 ...................   Passed    1.37 sec
        Start 141: test_residue_1
141/160 Test #141: test_residue_1 ...................   Passed    1.32 sec
        Start 142: test_ringtest_1
142/160 Test #142: test_ringtest_1 ..................   Passed    3.00 sec
        Start 143: test_smartstest_1
143/160 Test #143: test_smartstest_1 ................   Passed    4.21 sec
        Start 144: test_smartsparse_1
144/160 Test #144: test_smartsparse_1 ...............   Passed    0.20 sec
        Start 145: test_smilesmatch_1
145/160 Test #145: test_smilesmatch_1 ...............   Passed   13.93 sec
        Start 146: test_unitcell_1
146/160 Test #146: test_unitcell_1 ..................   Passed    0.14 sec
        Start 147: test_cmlreadfile_1
147/160 Test #147: test_cmlreadfile_1 ...............   Passed    1.18 sec
        Start 148: inchiSamples.sdf_Test
148/160 Test #148: inchiSamples.sdf_Test ............   Passed    2.67 sec
        Start 149: inchiSamplesTechMan.sdf_Test
149/160 Test #149: inchiSamplesTechMan.sdf_Test .....   Passed    1.95 sec
        Start 150: inchiSteffen_PubChem.smi_Test
150/160 Test #150: inchiSteffen_PubChem.smi_Test ....***Timeout 1500.19 sec
==============================
*** Open Babel Warning  in InChI code
  #8 :Salt was disconnected;
==============================
*** Open Babel Warning  in InChI code
  #30 :Salt was disconnected;
        Start 151: pytest_babel
151/160 Test #151: pytest_babel .....................   Passed    3.78 sec
        Start 152: pytest_sym
152/160 Test #152: pytest_sym .......................***Timeout 1500.50 sec
/builddir/build/BUILD/openbabel-openbabel-2-4-1/scripts/python:/builddir/build/BUILD/openbabel-openbabel-2-4-1/lib64
        Start 153: pytest_smartssym
153/160 Test #153: pytest_smartssym .................   Passed  100.97 sec
        Start 154: pytest_fastsearch
154/160 Test #154: pytest_fastsearch ................   Passed   10.60 sec
        Start 155: pytest_unique
155/160 Test #155: pytest_unique ....................   Passed   27.81 sec
        Start 156: pytest_kekule
156/160 Test #156: pytest_kekule ....................   Passed   44.14 sec
        Start 157: pytest_pdbformat
157/160 Test #157: pytest_pdbformat .................   Passed    5.23 sec
        Start 158: pybindtest_bindings
158/160 Test #158: pybindtest_bindings ..............   Passed    7.58 sec
        Start 159: pybindtest__pybel
159/160 Test #159: pybindtest__pybel ................   Passed   42.47 sec
        Start 160: pybindtest_example
160/160 Test #160: pybindtest_example ...............   Passed    7.54 sec
96% tests passed, 7 tests failed out of 160
Total Test time (real) = 7380.64 sec
The following tests FAILED:
	 24 - test_canonstable_1 (Failed)
	 63 - test_regressions_1 (Timeout)
	 64 - test_regressions_221 (Timeout)
	124 - test_ffmmff94_1 (Failed)
	126 - test_ffuff_1 (Failed)
	150 - inchiSteffen_PubChem.smi_Test (Timeout)
	152 - pytest_sym (Timeout)
RPM build errors:
Errors while running CTest
make: *** [Makefile:121: test] Error 8
error: Bad exit status from /var/tmp/rpm-tmp.Ecw93m (%check)
    Bad exit status from /var/tmp/rpm-tmp.Ecw93m (%check)
Child return code was: 1
EXCEPTION: [Error()]
Traceback (most recent call last):
  File "/usr/lib/python3.8/site-packages/mockbuild/trace_decorator.py", line 95, in trace
    result = func(*args, **kw)
  File "/usr/lib/python3.8/site-packages/mockbuild/util.py", line 746, in do_with_status
    raise exception.Error("Command failed: \n # %s\n%s" % (command, output), child.returncode)
mockbuild.exception.Error: Command failed: 
 # bash --login -c /usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec