@MOLECULE 5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.3700 1.3752 -0.5407 N.am 1 UNL111111111 -0.5775 2 S 1.5186 1.7585 1.2869 S.3 1 UNL111111111 -0.0151 3 C 2.1196 1.6773 -0.4600 C.3 1 UNL111111111 -0.2077 4 N 0.3093 0.4628 -1.7602 N.am 1 UNL111111111 -0.6185 5 C -0.9265 0.1801 -1.1707 C.2 1 UNL111111111 0.7204 6 O -1.5166 -0.8637 -1.2372 O.2 1 UNL111111111 -0.4450 7 C 0.8604 1.7589 -1.3493 C.3 1 UNL111111111 0.0460 8 C -0.3379 2.4357 -0.5534 C.3 1 UNL111111111 0.0912 9 C 0.1077 2.8335 0.8504 C.3 1 UNL111111111 -0.3666 10 C 2.9680 0.4330 -0.6916 C.3 1 UNL111111111 -0.2762 11 C 4.3320 0.5291 0.0076 C.3 1 UNL111111111 -0.2698 12 C 5.1631 -0.7230 -0.2933 C.3 1 UNL111111111 -0.2549 13 C 6.4737 -0.7015 0.4975 C.3 1 UNL111111111 -0.3473 14 C 7.2700 -1.9298 0.1986 C.2 1 UNL111111111 0.6455 15 O 7.1064 -2.7567 -0.6582 O.2 1 UNL111111111 -0.5045 16 O 8.3084 -2.0344 1.0721 O.3 1 UNL111111111 -0.5722 17 C -2.5864 1.5732 0.1037 C.2 1 UNL111111111 0.7293 18 O -3.3581 0.4664 0.0251 O.3 1 UNL111111111 -0.3285 19 O -2.8889 2.6115 0.6500 O.2 1 UNL111111111 -0.5527 20 C -4.6331 0.5929 0.6963 C.3 1 UNL111111111 -0.0390 21 C -5.2426 -0.7578 0.4865 C.ar 1 UNL111111111 -0.0375 22 C -5.0586 -1.7612 1.4389 C.ar 1 UNL111111111 -0.1233 23 C -5.6146 -3.0217 1.2311 C.ar 1 UNL111111111 -0.1562 24 C -6.3453 -3.2805 0.0722 C.ar 1 UNL111111111 -0.1337 25 C -6.5171 -2.2807 -0.8840 C.ar 1 UNL111111111 -0.1560 26 C -5.9631 -1.0187 -0.6799 C.ar 1 UNL111111111 -0.1222 27 H 2.7423 2.5854 -0.6431 H 1 UNL111111111 0.1604 28 H 0.9051 -0.2723 -2.0959 H 1 UNL111111111 0.3357 29 H 1.0896 2.3470 -2.2741 H 1 UNL111111111 0.1562 30 H -0.7370 3.3208 -1.1098 H 1 UNL111111111 0.1633 31 H -0.7021 2.7157 1.6011 H 1 UNL111111111 0.2031 32 H 0.3968 3.8986 0.8964 H 1 UNL111111111 0.1707 33 H 2.4425 -0.4834 -0.3468 H 1 UNL111111111 0.1625 34 H 3.1329 0.2952 -1.7817 H 1 UNL111111111 0.1462 35 H 4.8708 1.4365 -0.3227 H 1 UNL111111111 0.1386 36 H 4.2019 0.6371 1.1021 H 1 UNL111111111 0.1523 37 H 4.5870 -1.6378 -0.0434 H 1 UNL111111111 0.1567 38 H 5.3742 -0.7996 -1.3790 H 1 UNL111111111 0.1547 39 H 7.0756 0.2002 0.2514 H 1 UNL111111111 0.1794 40 H 6.2783 -0.6271 1.5907 H 1 UNL111111111 0.1851 41 H 8.8733 -2.8315 0.9254 H 1 UNL111111111 0.3568 42 H -4.4563 0.8415 1.7591 H 1 UNL111111111 0.1479 43 H -5.2027 1.4156 0.2261 H 1 UNL111111111 0.1479 44 H -4.4731 -1.5647 2.3355 H 1 UNL111111111 0.1541 45 H -5.4713 -3.8073 1.9697 H 1 UNL111111111 0.1493 46 H -6.7761 -4.2666 -0.0895 H 1 UNL111111111 0.1477 47 H -7.0771 -2.4877 -1.7934 H 1 UNL111111111 0.1493 48 H -6.0812 -0.2428 -1.4345 H 1 UNL111111111 0.1543 @BOND 1 1 5 am 2 1 8 1 3 1 17 am 4 2 3 1 5 2 9 1 6 3 7 1 7 3 10 1 8 3 27 1 9 4 5 am 10 4 7 1 11 4 28 1 12 5 6 2 13 7 8 1 14 7 29 1 15 8 9 1 16 8 30 1 17 9 31 1 18 9 32 1 19 10 11 1 20 10 33 1 21 10 34 1 22 11 12 1 23 11 35 1 24 11 36 1 25 12 13 1 26 12 37 1 27 12 38 1 28 13 14 1 29 13 39 1 30 13 40 1 31 14 15 2 32 14 16 1 33 16 41 1 34 17 18 1 35 17 19 2 36 18 20 1 37 20 21 1 38 20 42 1 39 20 43 1 40 21 22 ar 41 21 26 ar 42 22 23 ar 43 22 44 1 44 23 24 ar 45 23 45 1 46 24 25 ar 47 24 46 1 48 25 26 ar 49 25 47 1 50 26 48 1