@MOLECULE 4-nitrobenzenesulfonate 13 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.6002 -0.0932 0.0543 S.3 1 UNL1 2.2675 2 O -3.0186 0.1317 1.4034 O.3 1 UNL1 -0.8230 3 O -3.0392 -1.1852 -0.7575 O.3 1 UNL1 -0.8189 4 O -2.9766 1.2786 -0.7805 O.3 1 UNL1 -0.3305 5 O 4.1060 1.0994 -0.0244 O.2 1 UNL1 -0.3517 6 O 4.1373 -1.0619 0.0011 O.2 1 UNL1 -0.3389 7 N 3.5658 0.0099 -0.0071 N.pl3 1 UNL1 0.6315 8 C -0.8402 -0.0484 0.0194 C.ar 1 UNL1 -0.3615 9 C 0.0063 -1.1347 0.0299 C.ar 1 UNL1 0.0262 10 C -0.0577 1.0846 0.0031 C.ar 1 UNL1 0.0891 11 C 2.1139 -0.0063 0.0054 C.ar 1 UNL1 -0.0652 12 C 1.3046 -1.1316 0.0212 C.ar 1 UNL1 0.0079 13 C 1.3094 1.1239 -0.0055 C.ar 1 UNL1 0.0676 @BOND 1 4 1 1 2 3 1 1 3 5 7 2 4 7 6 2 5 7 11 1 6 13 10 ar 7 13 11 ar 8 10 8 ar 9 11 12 ar 10 8 9 ar 11 8 1 1 12 12 9 ar 13 1 2 1