@MOLECULE 1-[(2-aminophenyl)carbamothioyl]proline 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4707 2.1241 0.6658 S.2 1 UNL1111111111 -0.5363 2 O 1.4324 -2.4646 -0.3989 O.3 1 UNL1111111111 -0.6034 3 O 3.1131 -1.8979 0.9561 O.2 1 UNL1111111111 -0.4457 4 N 1.6208 0.6712 -0.1338 N.am 1 UNL1111111111 -0.4592 5 N -0.4839 -0.2394 -0.6123 N.am 1 UNL1111111111 -0.5163 6 N -1.7599 -0.9495 1.8814 N.pl3 1 UNL1111111111 -0.5952 7 C 2.3721 -0.3694 -0.8479 C.3 1 UNL1111111111 0.0155 8 C 3.8049 0.1785 -1.0172 C.3 1 UNL1111111111 -0.2736 9 C 3.9432 1.2847 0.0390 C.3 1 UNL1111111111 -0.2865 10 C 2.5099 1.7682 0.3225 C.3 1 UNL1111111111 -0.0362 11 C 0.2587 0.7860 -0.0804 C.2 1 UNL1111111111 0.4682 12 C 2.4063 -1.6187 0.0336 C.2 1 UNL1111111111 0.5984 13 C -1.9100 -0.2287 -0.4601 C.ar 1 UNL1111111111 0.0255 14 C -2.5216 -0.5442 0.7786 C.ar 1 UNL1111111111 0.2356 15 C -2.6906 0.0960 -1.5701 C.ar 1 UNL1111111111 -0.0744 16 C -3.9262 -0.5386 0.8665 C.ar 1 UNL1111111111 -0.2669 17 C -4.0775 0.0902 -1.4684 C.ar 1 UNL1111111111 -0.2270 18 C -4.6852 -0.2244 -0.2523 C.ar 1 UNL1111111111 -0.0650 19 H 1.9050 -0.6061 -1.8404 H 1 UNL1111111111 0.1763 20 H 3.9443 0.5828 -2.0363 H 1 UNL1111111111 0.1555 21 H 4.5700 -0.6068 -0.8864 H 1 UNL1111111111 0.1636 22 H 4.4115 0.8861 0.9597 H 1 UNL1111111111 0.1618 23 H 4.5877 2.1076 -0.3083 H 1 UNL1111111111 0.1522 24 H 2.3441 1.9618 1.4065 H 1 UNL1111111111 0.1680 25 H 2.2765 2.7078 -0.2276 H 1 UNL1111111111 0.1607 26 H -0.0703 -1.1388 -0.8479 H 1 UNL1111111111 0.3326 27 H 1.3402 -3.2999 0.1233 H 1 UNL1111111111 0.3739 28 H -2.2057 0.3628 -2.5094 H 1 UNL1111111111 0.1606 29 H -4.4083 -0.7780 1.8095 H 1 UNL1111111111 0.1620 30 H -4.6860 0.3431 -2.3319 H 1 UNL1111111111 0.1557 31 H -5.7730 -0.2189 -0.1789 H 1 UNL1111111111 0.1466 32 H -2.1604 -0.7903 2.7895 H 1 UNL1111111111 0.2903 33 H -0.7832 -0.7275 1.8464 H 1 UNL1111111111 0.2826 @BOND 1 1 11 2 2 2 12 1 3 2 27 1 4 3 12 2 5 4 7 1 6 4 10 1 7 4 11 1 8 5 11 1 9 5 13 1 10 5 26 1 11 6 14 1 12 6 32 1 13 6 33 1 14 7 8 1 15 7 12 1 16 7 19 1 17 8 9 1 18 8 20 1 19 8 21 1 20 9 10 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 13 14 ar 26 13 15 ar 27 14 16 ar 28 15 17 ar 29 15 28 1 30 16 18 ar 31 16 29 1 32 17 18 ar 33 17 30 1 34 18 31 1