@MOLECULE buthidazole 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0851 -1.0062 0.1545 S.2 1 UNL1111111111 0.0086 2 O 1.9537 -2.1390 -0.9555 O.3 1 UNL1111111111 -0.5749 3 O 2.5159 2.0804 -0.3539 O.2 1 UNL1111111111 -0.3970 4 N 1.5106 -0.0156 -0.0217 N.am 1 UNL1111111111 -0.5444 5 N 3.7295 0.2661 0.4962 N.am 1 UNL1111111111 -0.4496 6 N -1.7281 1.4791 -0.1319 N.ar 1 UNL1111111111 -0.1470 7 N -0.3838 1.4938 -0.1329 N.ar 1 UNL1111111111 -0.2161 8 C 2.0021 -1.3858 0.2233 C.3 1 UNL1111111111 0.3232 9 C -3.7792 0.0225 0.0444 C.3 1 UNL1111111111 0.1326 10 C 3.5141 -1.1950 0.5401 C.3 1 UNL1111111111 -0.1435 11 C 2.5960 0.9358 -0.0182 C.2 1 UNL1111111111 0.6834 12 C -2.3072 0.3090 0.0041 C.ar 1 UNL1111111111 0.0039 13 C 0.1751 0.2911 -0.0067 C.ar 1 UNL1111111111 0.2241 14 C -4.5859 1.3273 -0.0718 C.3 1 UNL1111111111 -0.4487 15 C -4.1217 -0.6471 1.3866 C.3 1 UNL1111111111 -0.4646 16 C -4.1485 -0.8962 -1.1326 C.3 1 UNL1111111111 -0.4633 17 C 5.0443 0.7018 0.0232 C.3 1 UNL1111111111 -0.2374 18 H 1.4384 -1.9322 1.0120 H 1 UNL1111111111 0.1520 19 H 3.7775 -1.5673 1.5515 H 1 UNL1111111111 0.1656 20 H 4.1282 -1.7506 -0.2040 H 1 UNL1111111111 0.1717 21 H -5.6636 1.1371 -0.0437 H 1 UNL1111111111 0.1467 22 H -4.3442 2.0190 0.7454 H 1 UNL1111111111 0.1632 23 H -4.3613 1.8516 -1.0100 H 1 UNL1111111111 0.1642 24 H -3.7915 -0.0266 2.2296 H 1 UNL1111111111 0.1583 25 H -5.2060 -0.7806 1.4868 H 1 UNL1111111111 0.1560 26 H -3.6689 -1.6366 1.4984 H 1 UNL1111111111 0.1494 27 H -5.2317 -1.0640 -1.1745 H 1 UNL1111111111 0.1553 28 H -3.8566 -0.4505 -2.0921 H 1 UNL1111111111 0.1592 29 H -3.6822 -1.8836 -1.0663 H 1 UNL1111111111 0.1496 30 H 5.7570 0.6188 0.8660 H 1 UNL1111111111 0.1568 31 H 5.0089 1.7637 -0.2889 H 1 UNL1111111111 0.1759 32 H 5.4234 0.1048 -0.8230 H 1 UNL1111111111 0.1367 33 H 1.2289 -1.8674 -1.5574 H 1 UNL1111111111 0.3500 @BOND 1 1 12 ar 2 1 13 ar 3 2 8 1 4 2 33 1 5 3 11 2 6 4 8 1 7 4 11 am 8 4 13 1 9 5 10 1 10 5 11 am 11 5 17 1 12 6 7 ar 13 6 12 ar 14 7 13 ar 15 8 10 1 16 8 18 1 17 9 12 1 18 9 14 1 19 9 15 1 20 9 16 1 21 10 19 1 22 10 20 1 23 14 21 1 24 14 22 1 25 14 23 1 26 15 24 1 27 15 25 1 28 15 26 1 29 16 27 1 30 16 28 1 31 16 29 1 32 17 30 1 33 17 31 1 34 17 32 1