@MOLECULE 4-nitrobenzoic acid 17 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3976 1.1409 -0.0008 O.3 1 UNL1 -0.5529 2 O 3.5460 -1.0826 0.0008 O.2 1 UNL1 -0.4800 3 O -3.4320 -1.0549 -0.0003 O.2 1 UNL1 -0.3855 4 O -3.4028 1.0978 0.0004 O.2 1 UNL1 -0.3869 5 N -2.8443 0.0136 -0.0000 N.pl3 1 UNL1 0.6097 6 C 1.3742 -0.0391 -0.0000 C.ar 1 UNL1 -0.0979 7 C -1.3829 -0.0060 -0.0001 C.ar 1 UNL1 -0.0309 8 C 0.6717 -1.2472 -0.0002 C.ar 1 UNL1 -0.0978 9 C 0.7031 1.1848 0.0002 C.ar 1 UNL1 -0.0883 10 C -0.7199 -1.2354 -0.0002 C.ar 1 UNL1 -0.1179 11 C -0.6892 1.2059 0.0002 C.ar 1 UNL1 -0.1215 12 C 2.8494 -0.1012 0.0001 C.2 1 UNL1 0.6279 13 H 1.2180 -2.1968 -0.0004 H 1 UNL1 0.1867 14 H 1.2665 2.1235 0.0004 H 1 UNL1 0.1865 15 H -1.2868 -2.1728 -0.0004 H 1 UNL1 0.1935 16 H -1.2325 2.1569 0.0003 H 1 UNL1 0.1924 17 H 4.3893 1.1314 -0.0007 H 1 UNL1 0.3629 @BOND 1 1 17 1 2 1 12 1 3 15 10 1 4 13 8 1 5 3 5 2 6 10 8 ar 7 10 7 ar 8 8 6 ar 9 7 5 1 10 7 11 ar 11 5 4 2 12 6 12 1 13 6 9 ar 14 12 2 2 15 11 9 ar 16 11 16 1 17 9 14 1