@MOLECULE 6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 N -7.9285 -0.3624 0.4932 N.am 1 UNL1111111111 -0.6388 2 C -7.2719 0.6300 -0.3625 C.3 1 UNL1111111111 0.0727 3 C -6.0082 -0.1579 -0.9249 C.3 1 UNL1111111111 0.0354 4 N -6.0728 -1.4651 -0.2474 N.am 1 UNL1111111111 -0.6014 5 C -7.1366 -1.4989 0.6828 C.2 1 UNL1111111111 0.7092 6 C -6.8333 1.8731 0.4183 C.3 1 UNL1111111111 -0.3784 7 S -5.0640 1.6550 0.8405 S.3 1 UNL1111111111 -0.0192 8 C -4.7316 0.6644 -0.6845 C.3 1 UNL1111111111 -0.2068 9 O -7.3721 -2.4010 1.4496 O.2 1 UNL1111111111 -0.5109 10 C -3.4581 -0.1607 -0.5552 C.3 1 UNL1111111111 -0.2776 11 C -2.2027 0.7120 -0.7076 C.3 1 UNL1111111111 -0.2675 12 C -0.9443 -0.1601 -0.6501 C.3 1 UNL1111111111 -0.2503 13 C 0.3150 0.7014 -0.8016 C.3 1 UNL1111111111 -0.3615 14 C 1.5230 -0.2099 -0.8023 C.2 1 UNL1111111111 0.5880 15 O 1.5913 -1.2150 -1.4808 O.2 1 UNL1111111111 -0.5408 16 N 2.5687 0.1568 0.0206 N.am 1 UNL1111111111 -0.6172 17 C 3.7800 -0.6696 0.0862 C.3 1 UNL1111111111 -0.0681 18 C 5.0378 0.2142 0.0327 C.3 1 UNL1111111111 -0.3009 19 C 6.2915 -0.6616 0.1338 C.3 1 UNL1111111111 -0.2661 20 C 7.5517 0.2090 0.1753 C.3 1 UNL1111111111 -0.2542 21 C 8.8018 -0.6650 0.3034 C.3 1 UNL1111111111 -0.3477 22 C 10.0223 0.1912 0.3949 C.2 1 UNL1111111111 0.6452 23 O 11.1285 -0.5908 0.5279 O.3 1 UNL1111111111 -0.5730 24 O 10.1209 1.3888 0.3682 O.2 1 UNL1111111111 -0.5059 25 H -8.6933 -0.1252 1.0900 H 1 UNL1111111111 0.3355 26 H -7.9590 0.9070 -1.1988 H 1 UNL1111111111 0.1525 27 H -6.1354 -0.3503 -2.0213 H 1 UNL1111111111 0.1604 28 H -5.2128 -1.9363 -0.0147 H 1 UNL1111111111 0.3230 29 H -7.4118 2.0115 1.3489 H 1 UNL1111111111 0.1781 30 H -6.9719 2.7938 -0.1737 H 1 UNL1111111111 0.1659 31 H -4.6145 1.3848 -1.5315 H 1 UNL1111111111 0.1630 32 H -3.4483 -0.9489 -1.3405 H 1 UNL1111111111 0.1562 33 H -3.4153 -0.7025 0.4120 H 1 UNL1111111111 0.1564 34 H -2.1631 1.4801 0.0886 H 1 UNL1111111111 0.1474 35 H -2.2360 1.2682 -1.6635 H 1 UNL1111111111 0.1394 36 H -0.9649 -0.9310 -1.4500 H 1 UNL1111111111 0.1645 37 H -0.9077 -0.7231 0.3030 H 1 UNL1111111111 0.1469 38 H 0.3564 1.4703 -0.0093 H 1 UNL1111111111 0.1536 39 H 0.2907 1.2529 -1.7656 H 1 UNL1111111111 0.1721 40 H 2.5410 0.9766 0.5973 H 1 UNL1111111111 0.3072 41 H 3.7807 -1.3992 -0.7610 H 1 UNL1111111111 0.1724 42 H 3.7617 -1.2722 1.0223 H 1 UNL1111111111 0.1340 43 H 5.0229 0.9579 0.8506 H 1 UNL1111111111 0.1407 44 H 5.0517 0.7973 -0.9085 H 1 UNL1111111111 0.1524 45 H 6.3365 -1.3575 -0.7269 H 1 UNL1111111111 0.1443 46 H 6.2398 -1.2990 1.0376 H 1 UNL1111111111 0.1399 47 H 7.5006 0.9258 1.0196 H 1 UNL1111111111 0.1532 48 H 7.6177 0.8393 -0.7346 H 1 UNL1111111111 0.1548 49 H 8.8923 -1.3608 -0.5603 H 1 UNL1111111111 0.1832 50 H 8.7380 -1.3251 1.1968 H 1 UNL1111111111 0.1818 51 H 11.9721 -0.0815 0.5922 H 1 UNL1111111111 0.3568 @BOND 1 1 2 1 2 1 5 am 3 1 25 1 4 2 3 1 5 2 6 1 6 2 26 1 7 3 4 1 8 3 8 1 9 3 27 1 10 4 5 am 11 4 28 1 12 5 9 2 13 6 7 1 14 6 29 1 15 6 30 1 16 7 8 1 17 8 10 1 18 8 31 1 19 10 11 1 20 10 32 1 21 10 33 1 22 11 12 1 23 11 34 1 24 11 35 1 25 12 13 1 26 12 36 1 27 12 37 1 28 13 14 1 29 13 38 1 30 13 39 1 31 14 15 2 32 14 16 am 33 16 17 1 34 16 40 1 35 17 18 1 36 17 41 1 37 17 42 1 38 18 19 1 39 18 43 1 40 18 44 1 41 19 20 1 42 19 45 1 43 19 46 1 44 20 21 1 45 20 47 1 46 20 48 1 47 21 22 1 48 21 49 1 49 21 50 1 50 22 23 1 51 22 24 2 52 23 51 1