@MOLECULE tinidazole 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.3908 -0.3570 -0.0433 S.O2 1 UNL1111111111 2.2103 2 O 3.5176 -1.1814 -0.4190 O.2 1 UNL1111111111 -0.8992 3 O 2.3437 1.0428 -0.4310 O.2 1 UNL1111111111 -0.9497 4 O -3.4994 -1.6902 0.4978 O.2 1 UNL1111111111 -0.3841 5 O -1.7503 -2.1808 -0.6610 O.2 1 UNL1111111111 -0.4558 6 N -0.9303 0.5310 -0.6312 N.ar 1 UNL1111111111 -0.2480 7 N -1.9843 2.1766 0.4981 N.ar 1 UNL1111111111 -0.4239 8 N -2.4548 -1.3823 -0.0521 N.pl3 1 UNL1111111111 0.6756 9 C 0.9243 -1.1358 -0.7499 C.3 1 UNL1111111111 -0.6215 10 C -0.0050 -0.1860 -1.5074 C.3 1 UNL1111111111 -0.0435 11 C 2.2393 -0.4702 1.7362 C.3 1 UNL1111111111 -0.5635 12 C -0.9393 1.8848 -0.3349 C.ar 1 UNL1111111111 0.3177 13 C -2.0409 -0.0332 0.0303 C.ar 1 UNL1111111111 -0.1886 14 C 1.0187 0.2499 2.2829 C.3 1 UNL1111111111 -0.4284 15 C -2.6703 1.0210 0.7282 C.ar 1 UNL1111111111 0.0736 16 C 0.0060 2.8808 -0.8560 C.3 1 UNL1111111111 -0.4667 17 H 0.3605 -1.6979 0.0237 H 1 UNL1111111111 0.1995 18 H 1.2562 -1.9403 -1.4474 H 1 UNL1111111111 0.2075 19 H 0.5765 0.5668 -2.1022 H 1 UNL1111111111 0.1790 20 H -0.6098 -0.7784 -2.2457 H 1 UNL1111111111 0.1749 21 H 2.2451 -1.5318 2.0571 H 1 UNL1111111111 0.1795 22 H 3.1603 -0.0449 2.1941 H 1 UNL1111111111 0.1864 23 H 1.0161 0.2398 3.3830 H 1 UNL1111111111 0.1569 24 H 0.9884 1.3118 1.9897 H 1 UNL1111111111 0.1648 25 H 0.0703 -0.2047 1.9696 H 1 UNL1111111111 0.1475 26 H -3.5514 0.9788 1.3516 H 1 UNL1111111111 0.2027 27 H 0.0036 2.9384 -1.9550 H 1 UNL1111111111 0.1745 28 H -0.2301 3.8913 -0.4748 H 1 UNL1111111111 0.1898 29 H 1.0580 2.6708 -0.5519 H 1 UNL1111111111 0.2325 @BOND 1 1 2 2 2 1 3 2 3 1 9 1 4 1 11 1 5 4 8 2 6 5 8 2 7 6 10 1 8 6 12 ar 9 6 13 ar 10 7 12 ar 11 7 15 ar 12 8 13 1 13 9 10 1 14 9 17 1 15 9 18 1 16 10 19 1 17 10 20 1 18 11 14 1 19 11 21 1 20 11 22 1 21 12 16 1 22 13 15 ar 23 14 23 1 24 14 24 1 25 14 25 1 26 15 26 1 27 16 27 1 28 16 28 1 29 16 29 1