@MOLECULE 2-aminopentyl carbamimidothioate 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.1427 0.9218 0.5632 S.3 1 UNL1111111111 0.0058 2 N 1.5002 -2.1721 0.2012 N.3 1 UNL1111111111 -0.6723 3 N -3.5743 0.8815 -0.5710 N.pl3 1 UNL1111111111 -0.6919 4 N -2.4538 -1.2233 -0.3641 N.2 1 UNL1111111111 -0.6704 5 C 0.8181 -0.9278 -0.2494 C.3 1 UNL1111111111 0.0695 6 C 1.8549 0.0785 -0.7904 C.3 1 UNL1111111111 -0.3009 7 C 2.9047 0.4921 0.2487 C.3 1 UNL1111111111 -0.2422 8 C 0.0375 -0.4103 0.9719 C.3 1 UNL1111111111 -0.3103 9 C 4.0213 1.3070 -0.4036 C.3 1 UNL1111111111 -0.4454 10 C -2.5302 0.0467 -0.1924 C.2 1 UNL1111111111 0.3682 11 H 0.0906 -1.1606 -1.0771 H 1 UNL1111111111 0.1346 12 H 1.3339 0.9766 -1.1741 H 1 UNL1111111111 0.1499 13 H 2.3597 -0.3629 -1.6713 H 1 UNL1111111111 0.1363 14 H 2.4332 1.0821 1.0564 H 1 UNL1111111111 0.1327 15 H 3.3240 -0.4070 0.7427 H 1 UNL1111111111 0.1518 16 H -0.5060 -1.2564 1.4474 H 1 UNL1111111111 0.1876 17 H 0.7254 -0.0162 1.7446 H 1 UNL1111111111 0.1765 18 H 2.2700 -2.4204 -0.3951 H 1 UNL1111111111 0.2519 19 H 0.8532 -2.9435 0.2493 H 1 UNL1111111111 0.2557 20 H 4.7615 1.6280 0.3375 H 1 UNL1111111111 0.1403 21 H 4.5519 0.7250 -1.1649 H 1 UNL1111111111 0.1409 22 H 3.6293 2.2077 -0.8885 H 1 UNL1111111111 0.1415 23 H -4.4366 0.4907 -0.8877 H 1 UNL1111111111 0.2984 24 H -3.6080 1.8442 -0.3097 H 1 UNL1111111111 0.3115 25 H -3.1933 -1.7603 -0.7770 H 1 UNL1111111111 0.2804 @BOND 1 1 8 1 2 1 10 1 3 2 5 1 4 2 18 1 5 2 19 1 6 3 10 1 7 3 23 1 8 3 24 1 9 4 10 2 10 4 25 1 11 5 6 1 12 5 8 1 13 5 11 1 14 6 7 1 15 6 12 1 16 6 13 1 17 7 9 1 18 7 14 1 19 7 15 1 20 8 16 1 21 8 17 1 22 9 20 1 23 9 21 1 24 9 22 1