@MOLECULE isopropyl carbamimidothioate 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.5642 -0.6558 0.5969 C.3 1 UNL1111111111 -0.4587 2 C 1.3922 0.2525 0.2563 C.3 1 UNL1111111111 -0.0588 3 C 1.7224 1.2053 -0.8808 C.3 1 UNL1111111111 -0.4544 4 C -1.4841 0.1655 0.1262 C.2 1 UNL1111111111 0.3795 5 S -0.0340 -0.8525 -0.2127 S.3 1 UNL1111111111 -0.0464 6 N -1.3280 1.3330 0.6370 N.2 1 UNL1111111111 -0.6718 7 N -2.6807 -0.4395 -0.2307 N.pl3 1 UNL1111111111 -0.6998 8 H 2.9013 -1.2563 -0.2578 H 1 UNL1111111111 0.1539 9 H 3.4283 -0.0565 0.9191 H 1 UNL1111111111 0.1550 10 H 2.3377 -1.3465 1.4205 H 1 UNL1111111111 0.1567 11 H 1.0764 0.8397 1.1573 H 1 UNL1111111111 0.1794 12 H 1.9904 0.6873 -1.8090 H 1 UNL1111111111 0.1511 13 H 0.8777 1.8755 -1.1051 H 1 UNL1111111111 0.1672 14 H 2.5689 1.8522 -0.6134 H 1 UNL1111111111 0.1503 15 H -2.0970 1.9406 0.8478 H 1 UNL1111111111 0.2805 16 H -3.5509 0.0054 -0.0327 H 1 UNL1111111111 0.3015 17 H -2.7304 -1.3712 -0.5814 H 1 UNL1111111111 0.3148 @BOND 1 1 2 1 2 1 8 1 3 1 9 1 4 1 10 1 5 2 3 1 6 2 5 1 7 2 11 1 8 3 12 1 9 3 13 1 10 3 14 1 11 4 5 1 12 4 6 2 13 4 7 1 14 6 15 1 15 7 16 1 16 7 17 1