@MOLECULE thiosalicylic acid 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.6578 2.0868 0.0050 S.3 1 UNL11111111 -0.0859 2 O 1.9715 -0.9579 -1.1468 O.3 1 UNL11111111 -0.5369 3 O 2.1630 -0.9613 1.0757 O.2 1 UNL11111111 -0.4699 4 C 0.0128 -0.5576 0.0437 C.ar 1 UNL11111111 -0.1246 5 C -0.4908 0.7439 0.0080 C.ar 1 UNL11111111 -0.0254 6 C -0.8531 -1.6511 0.0424 C.ar 1 UNL11111111 -0.0836 7 C -1.8707 0.9486 -0.0211 C.ar 1 UNL11111111 -0.1897 8 C -2.2300 -1.4442 0.0134 C.ar 1 UNL11111111 -0.1676 9 C -2.7347 -0.1449 -0.0181 C.ar 1 UNL11111111 -0.0984 10 C 1.4662 -0.8257 0.1065 C.2 1 UNL11111111 0.6338 11 H -0.4521 -2.6661 0.0649 H 1 UNL11111111 0.1654 12 H -2.2931 1.9522 -0.0488 H 1 UNL11111111 0.1575 13 H -2.9094 -2.2950 0.0149 H 1 UNL11111111 0.1614 14 H -3.8125 0.0181 -0.0407 H 1 UNL11111111 0.1548 15 H -0.1867 3.1263 0.0591 H 1 UNL11111111 0.1579 16 H 2.9485 -1.1223 -1.1607 H 1 UNL11111111 0.3515 @BOND 1 16 2 1 2 2 10 1 3 12 7 1 4 14 9 1 5 7 9 ar 6 7 5 ar 7 9 8 ar 8 1 5 1 9 1 15 1 10 5 4 ar 11 8 13 1 12 8 6 ar 13 6 4 ar 14 6 11 1 15 4 10 1 16 10 3 2