@MOLECULE (3as,4s,6ar)-4-(4-carboxybutyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylic acid 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.3351 2.2715 -0.8490 S.3 1 UNL1111111111 -0.0031 2 O 2.1010 -2.3413 -1.1160 O.2 1 UNL1111111111 -0.4378 3 O 4.6246 -2.0099 -0.3873 O.3 1 UNL1111111111 -0.4752 4 O 5.1332 -0.0956 0.7138 O.2 1 UNL1111111111 -0.5423 5 O -6.7654 -1.1234 0.8253 O.3 1 UNL1111111111 -0.5722 6 O -6.1531 -0.3102 -1.1572 O.2 1 UNL1111111111 -0.5010 7 N 2.9494 -0.6236 0.2432 N.am 1 UNL1111111111 -0.5740 8 N 0.7103 -0.9747 0.1403 N.am 1 UNL1111111111 -0.6129 9 C 0.8260 0.2757 0.9037 C.3 1 UNL1111111111 0.0432 10 C 2.3899 0.5468 0.9550 C.3 1 UNL1111111111 0.0867 11 C 0.1045 1.4881 0.2870 C.3 1 UNL1111111111 -0.2102 12 C 2.7377 1.8560 0.2483 C.3 1 UNL1111111111 -0.3661 13 C -1.1897 1.1747 -0.4518 C.3 1 UNL1111111111 -0.2785 14 C 1.9375 -1.4277 -0.3557 C.2 1 UNL1111111111 0.7206 15 C -2.2442 0.6087 0.5109 C.3 1 UNL1111111111 -0.2757 16 C -3.5397 0.2931 -0.2427 C.3 1 UNL1111111111 -0.2540 17 C 4.3163 -0.8455 0.2290 C.2 1 UNL1111111111 0.7678 18 C -4.5789 -0.3044 0.7090 C.3 1 UNL1111111111 -0.3486 19 C -5.8626 -0.5487 -0.0156 C.2 1 UNL1111111111 0.6452 20 H 0.4349 0.0835 1.9353 H 1 UNL1111111111 0.1562 21 H 2.7613 0.5524 2.0103 H 1 UNL1111111111 0.1652 22 H -0.1142 2.2215 1.1019 H 1 UNL1111111111 0.1626 23 H 2.9203 2.6714 0.9713 H 1 UNL1111111111 0.1727 24 H 3.6709 1.7740 -0.3468 H 1 UNL1111111111 0.1993 25 H -1.5917 2.0972 -0.9268 H 1 UNL1111111111 0.1613 26 H -1.0249 0.4774 -1.2982 H 1 UNL1111111111 0.1566 27 H -0.1497 -1.2058 -0.3301 H 1 UNL1111111111 0.3362 28 H -1.8654 -0.3017 1.0134 H 1 UNL1111111111 0.1417 29 H -2.4440 1.3364 1.3211 H 1 UNL1111111111 0.1418 30 H -3.9428 1.2097 -0.7208 H 1 UNL1111111111 0.1580 31 H -3.3448 -0.4060 -1.0811 H 1 UNL1111111111 0.1564 32 H -4.7611 0.3688 1.5755 H 1 UNL1111111111 0.1807 33 H -4.2106 -1.2540 1.1571 H 1 UNL1111111111 0.1834 34 H 5.6119 -2.1546 -0.4060 H 1 UNL1111111111 0.3582 35 H -7.6385 -1.3117 0.4032 H 1 UNL1111111111 0.3579 @BOND 1 1 11 1 2 1 12 1 3 2 14 2 4 3 17 1 5 3 34 1 6 4 17 2 7 5 19 1 8 5 35 1 9 6 19 2 10 7 10 1 11 7 14 am 12 7 17 am 13 8 9 1 14 8 14 am 15 8 27 1 16 9 10 1 17 9 11 1 18 9 20 1 19 10 12 1 20 10 21 1 21 11 13 1 22 11 22 1 23 12 23 1 24 12 24 1 25 13 15 1 26 13 25 1 27 13 26 1 28 15 16 1 29 15 28 1 30 15 29 1 31 16 18 1 32 16 30 1 33 16 31 1 34 18 19 1 35 18 32 1 36 18 33 1