@MOLECULE 3-(1h-imidazol-5-yl)propyl n'-[2-(benzylsulfanyl)ethyl]carbamimidothioate 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.0371 1.2849 -0.0044 S.3 1 UNL1111111111 -0.0897 2 S 0.3171 -3.2418 0.7512 S.3 1 UNL1111111111 0.0037 3 N 2.3813 1.6719 0.5726 N.ar 1 UNL1111111111 -0.3650 4 N 1.7646 0.9004 2.5898 N.ar 1 UNL1111111111 -0.3718 5 N -2.1380 -1.3192 0.5738 N.2 1 UNL1111111111 -0.4863 6 N -3.6751 -1.0841 -1.1211 N.pl3 1 UNL1111111111 -0.6141 7 C -1.0006 3.1351 0.0215 C.3 1 UNL1111111111 -0.2474 8 C 0.5309 3.2852 0.0018 C.3 1 UNL1111111111 -0.2697 9 C -1.4252 1.8499 -0.6816 C.3 1 UNL1111111111 -0.3131 10 C 1.1771 2.3015 0.8964 C.ar 1 UNL1111111111 0.0172 11 C 0.8165 1.8146 2.1569 C.ar 1 UNL1111111111 -0.1062 12 C -0.4244 -2.1758 2.0435 C.3 1 UNL1111111111 -0.3110 13 C 1.7743 -2.2979 0.1737 C.3 1 UNL1111111111 -0.3567 14 C -1.1008 -0.9130 1.4967 C.3 1 UNL1111111111 -0.0831 15 C 1.5598 -1.3852 -0.9891 C.ar 1 UNL1111111111 0.0306 16 C 2.7018 0.8202 1.6334 C.ar 1 UNL1111111111 0.0590 17 C -2.8785 -0.5343 -0.1136 C.2 1 UNL1111111111 0.3163 18 C 0.3413 -1.2209 -1.6448 C.ar 1 UNL1111111111 -0.1694 19 C 2.6771 -0.6622 -1.4336 C.ar 1 UNL1111111111 -0.2088 20 C 0.2287 -0.3189 -2.7020 C.ar 1 UNL1111111111 -0.1428 21 C 2.5623 0.2348 -2.4905 C.ar 1 UNL1111111111 -0.1581 22 C 1.3325 0.4179 -3.1214 C.ar 1 UNL1111111111 -0.1667 23 H -1.4656 4.0154 -0.4679 H 1 UNL1111111111 0.1498 24 H -1.3502 3.1688 1.0754 H 1 UNL1111111111 0.1621 25 H 0.9028 3.1957 -1.0409 H 1 UNL1111111111 0.1543 26 H 0.8044 4.3167 0.3233 H 1 UNL1111111111 0.1634 27 H -0.6622 1.0550 -0.5560 H 1 UNL1111111111 0.1713 28 H -1.5223 2.0025 -1.7724 H 1 UNL1111111111 0.1654 29 H 2.8590 1.7493 -0.2996 H 1 UNL1111111111 0.3194 30 H -0.0308 2.0600 2.7659 H 1 UNL1111111111 0.1832 31 H 0.3359 -1.8937 2.7964 H 1 UNL1111111111 0.1669 32 H -1.1719 -2.8179 2.5532 H 1 UNL1111111111 0.1749 33 H 2.1981 -1.7294 1.0286 H 1 UNL1111111111 0.1717 34 H 2.5342 -3.0672 -0.0911 H 1 UNL1111111111 0.1793 35 H -1.5199 -0.3226 2.3493 H 1 UNL1111111111 0.1520 36 H -0.3406 -0.2513 1.0138 H 1 UNL1111111111 0.1462 37 H 3.5906 0.2166 1.6645 H 1 UNL1111111111 0.1861 38 H -0.5404 -1.8005 -1.3511 H 1 UNL1111111111 0.1934 39 H 3.6430 -0.8170 -0.9589 H 1 UNL1111111111 0.1474 40 H -0.7308 -0.2030 -3.2063 H 1 UNL1111111111 0.1565 41 H 3.4365 0.7799 -2.8398 H 1 UNL1111111111 0.1457 42 H 1.2409 1.1182 -3.9478 H 1 UNL1111111111 0.1504 43 H -3.7171 -2.0933 -1.1559 H 1 UNL1111111111 0.2984 44 H -4.5440 -0.6349 -1.3423 H 1 UNL1111111111 0.2954 @BOND 1 1 9 1 2 1 17 1 3 2 12 1 4 2 13 1 5 3 10 ar 6 3 16 ar 7 3 29 1 8 4 11 ar 9 4 16 ar 10 5 14 1 11 5 17 2 12 6 17 1 13 6 43 1 14 6 44 1 15 7 8 1 16 7 9 1 17 7 23 1 18 7 24 1 19 8 10 1 20 8 25 1 21 8 26 1 22 9 27 1 23 9 28 1 24 10 11 ar 25 11 30 1 26 12 14 1 27 12 31 1 28 12 32 1 29 13 15 1 30 13 33 1 31 13 34 1 32 14 35 1 33 14 36 1 34 15 18 ar 35 15 19 ar 36 16 37 1 37 18 20 ar 38 18 38 1 39 19 21 ar 40 19 39 1 41 20 22 ar 42 20 40 1 43 21 22 ar 44 21 41 1 45 22 42 1