@MOLECULE 3-(1h-imidazol-4-yl)propyl n-[2-(4-iodophenyl)ethyl]carbamimidothioate 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -4.3110 -0.0969 -0.1830 I 1 UNL1 -0.0081 2 S 4.4392 0.2641 -1.1992 S.3 1 UNL1 -0.1094 3 N 0.5583 -1.5549 0.0833 N.ar 1 UNL1 -0.3798 4 N 3.8050 1.9654 0.9513 N.2 1 UNL1 -0.4978 5 N 0.9738 -2.3429 2.1445 N.ar 1 UNL1 -0.3597 6 N 6.0121 1.8645 0.2999 N.pl3 1 UNL1 -0.6205 7 C 4.0350 -2.4734 -1.0128 C.3 1 UNL1 -0.2491 8 C 2.5171 -2.4035 -1.2501 C.3 1 UNL1 -0.2679 9 C 4.5916 -1.2938 -0.2275 C.3 1 UNL1 -0.2997 10 C 1.7600 -2.2660 0.0112 C.ar 1 UNL1 0.0184 11 C 1.5576 2.4050 0.0627 C.3 1 UNL1 -0.3041 12 C 0.1717 1.8549 -0.0058 C.ar 1 UNL1 0.0307 13 C 2.4219 1.5437 1.0149 C.3 1 UNL1 -0.0729 14 C 1.9950 -2.7525 1.3002 C.ar 1 UNL1 -0.1082 15 C 4.6810 1.4880 0.1461 C.2 1 UNL1 0.3360 16 C -0.3324 1.3622 -1.2114 C.ar 1 UNL1 -0.1865 17 C -0.6269 1.8167 1.1418 C.ar 1 UNL1 -0.1609 18 C 0.1147 -1.6258 1.4080 C.ar 1 UNL1 0.0661 19 C -1.6131 0.8144 -1.2718 C.ar 1 UNL1 -0.1610 20 C -1.9049 1.2687 1.0941 C.ar 1 UNL1 -0.1462 21 C -2.3821 0.7642 -0.1134 C.ar 1 UNL1 -0.0838 22 H 4.5535 -2.5823 -1.9881 H 1 UNL1 0.1524 23 H 4.2708 -3.4088 -0.4567 H 1 UNL1 0.1536 24 H 2.2789 -1.5757 -1.9530 H 1 UNL1 0.1610 25 H 2.1917 -3.3294 -1.7802 H 1 UNL1 0.1610 26 H 5.6586 -1.4552 0.0192 H 1 UNL1 0.1647 27 H 4.0611 -1.1809 0.7400 H 1 UNL1 0.1740 28 H 1.5500 3.4573 0.4203 H 1 UNL1 0.1732 29 H 2.0305 2.4499 -0.9390 H 1 UNL1 0.1621 30 H 2.2666 0.4616 0.8042 H 1 UNL1 0.1407 31 H 2.0971 1.7011 2.0740 H 1 UNL1 0.1613 32 H 0.1290 -1.0558 -0.6659 H 1 UNL1 0.3186 33 H 2.8006 -3.3559 1.6659 H 1 UNL1 0.1786 34 H 0.2743 1.4137 -2.1157 H 1 UNL1 0.1663 35 H -0.2450 2.2185 2.0818 H 1 UNL1 0.1697 36 H -0.7936 -1.1649 1.7548 H 1 UNL1 0.1892 37 H -1.9902 0.4466 -2.2267 H 1 UNL1 0.1663 38 H -2.5092 1.2490 2.0025 H 1 UNL1 0.1693 39 H 6.2065 2.6016 0.9607 H 1 UNL1 0.3010 40 H 6.6173 1.8520 -0.4986 H 1 UNL1 0.3015 @BOND 1 37 19 1 2 34 16 1 3 22 7 1 4 24 8 1 5 25 8 1 6 19 16 ar 7 19 21 ar 8 8 7 1 9 8 10 1 10 16 12 ar 11 2 9 1 12 2 15 1 13 7 23 1 14 7 9 1 15 29 11 1 16 32 3 1 17 40 6 1 18 9 26 1 19 9 27 1 20 1 21 1 21 21 20 ar 22 12 11 1 23 12 17 ar 24 10 3 ar 25 10 14 ar 26 11 28 1 27 11 13 1 28 3 18 ar 29 15 6 1 30 15 4 2 31 6 39 1 32 30 13 1 33 4 13 1 34 13 31 1 35 20 17 ar 36 20 38 1 37 17 35 1 38 14 33 1 39 14 5 ar 40 18 36 1 41 18 5 ar