@MOLECULE s-[(2s)-1-oxo-1-{[(3s)-2-oxotetrahydro-3-thiophenyl]amino}-2-propanyl] 2-thiophenecarbothioate 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.3985 -2.0523 -0.2237 S.3 1 UNL1111 -0.0695 2 S -1.5853 1.8201 0.3942 S.3 1 UNL1111 -0.0430 3 S -3.9725 -1.3647 -1.1277 S.2 1 UNL1111 0.3658 4 O 3.9024 0.1741 -1.6100 O.2 1 UNL1111 -0.3582 5 O 1.7499 2.4433 1.1934 O.2 1 UNL1111 -0.5127 6 O -1.0434 -0.1146 -1.3268 O.2 1 UNL1111 -0.4580 7 N 1.5084 0.6311 -0.1377 N.am 1 UNL1111 -0.6045 8 C 2.6434 -0.0515 0.4585 C.3 1 UNL1111 -0.0065 9 C 2.2065 -1.3304 1.2065 C.3 1 UNL1111 -0.3017 10 C 3.3944 -2.2802 1.3007 C.3 1 UNL1111 -0.3171 11 C 3.6403 -0.4519 -0.6332 C.2 1 UNL1111 0.3818 12 C 1.1381 1.8868 0.3078 C.2 1 UNL1111 0.5795 13 C -0.0629 2.4907 -0.4023 C.3 1 UNL1111 -0.2073 14 C -0.0460 4.0000 -0.2502 C.3 1 UNL1111 -0.4319 15 C -1.8008 0.2389 -0.4588 C.2 1 UNL1111 0.4494 16 C -2.9574 -0.5046 -0.0086 C.ar 1 UNL1111 -0.3359 17 C -3.4082 -0.6757 1.2787 C.ar 1 UNL1111 -0.0833 18 C -4.5791 -1.4897 1.3526 C.ar 1 UNL1111 -0.1936 19 C -5.0086 -1.9271 0.1269 C.ar 1 UNL1111 -0.2686 20 H 3.1746 0.6507 1.1730 H 1 UNL1111 0.2041 21 H 1.3518 -1.8111 0.6877 H 1 UNL1111 0.1617 22 H 1.8201 -1.0699 2.2112 H 1 UNL1111 0.1654 23 H 4.0181 -2.0724 2.1887 H 1 UNL1111 0.1642 24 H 3.0752 -3.3341 1.3760 H 1 UNL1111 0.1661 25 H 0.9890 0.1428 -0.8568 H 1 UNL1111 0.3378 26 H -0.0632 2.2149 -1.4882 H 1 UNL1111 0.1896 27 H 0.0026 4.3164 0.8052 H 1 UNL1111 0.1757 28 H 0.8532 4.4260 -0.7256 H 1 UNL1111 0.1691 29 H -0.9155 4.4854 -0.7116 H 1 UNL1111 0.1583 30 H -2.9442 -0.2617 2.1655 H 1 UNL1111 0.1744 31 H -5.0594 -1.7204 2.2922 H 1 UNL1111 0.1688 32 H -5.8716 -2.5419 -0.0681 H 1 UNL1111 0.1800 @BOND 1 1 10 1 2 1 11 1 3 2 13 1 4 2 15 1 5 3 16 ar 6 3 19 ar 7 4 11 2 8 5 12 2 9 6 15 2 10 7 8 1 11 7 12 am 12 7 25 1 13 8 9 1 14 8 11 1 15 8 20 1 16 9 10 1 17 9 21 1 18 9 22 1 19 10 23 1 20 10 24 1 21 12 13 1 22 13 14 1 23 13 26 1 24 14 27 1 25 14 28 1 26 14 29 1 27 15 16 1 28 16 17 ar 29 17 18 ar 30 17 30 1 31 18 19 ar 32 18 31 1 33 19 32 1