@MOLECULE 4-mercaptobenzoic acid 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.4510 0.0717 0.0000 S.3 1 UNL1111111111 -0.1074 2 O 3.1188 1.1436 -0.0001 O.3 1 UNL1111111111 -0.5573 3 O 3.2622 -1.0772 0.0001 O.2 1 UNL1111111111 -0.5009 4 C 1.0931 -0.0374 -0.0000 C.ar 1 UNL1111111111 -0.1682 5 C 0.3885 -1.2443 -0.0001 C.ar 1 UNL1111111111 -0.0510 6 C 0.4081 1.1797 0.0000 C.ar 1 UNL1111111111 -0.0454 7 C -1.6848 -0.0174 -0.0000 C.ar 1 UNL1111111111 -0.0054 8 C -1.0034 -1.2355 -0.0000 C.ar 1 UNL1111111111 -0.2167 9 C -0.9838 1.1908 0.0000 C.ar 1 UNL1111111111 -0.1965 10 C 2.5606 -0.0974 0.0000 C.2 1 UNL1111111111 0.6460 11 H 0.9360 -2.1925 -0.0001 H 1 UNL1111111111 0.1772 12 H 0.9648 2.1217 0.0000 H 1 UNL1111111111 0.1774 13 H -1.5342 -2.1863 -0.0001 H 1 UNL1111111111 0.1610 14 H -1.5066 2.1489 0.0001 H 1 UNL1111111111 0.1718 15 H -3.7626 -1.2319 -0.0001 H 1 UNL1111111111 0.1577 16 H 4.1085 1.1227 -0.0001 H 1 UNL1111111111 0.3576 @BOND 1 1 7 1 2 1 15 1 3 2 10 1 4 2 16 1 5 3 10 2 6 4 5 ar 7 4 6 ar 8 4 10 1 9 5 8 ar 10 5 11 1 11 6 9 ar 12 6 12 1 13 7 8 ar 14 7 9 ar 15 8 13 1 16 9 14 1