@MOLECULE 3-(1h-imidazol-2-ylmethyl)-n-{[(2s)-5-oxo-2-pyrrolidinyl]carbonyl}-n-{[(2s)-1-pentyl-2-pyrrolidinyl]carbonyl}-l-histidinamide 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2563 -0.4729 1.6348 O.2 1 UNL1111111111 -0.4335 2 O 3.3951 -0.7112 1.5218 O.2 1 UNL1111111111 -0.4755 3 O 1.3771 -2.2338 -1.4534 O.2 1 UNL1111111111 -0.4967 4 O 6.9791 0.0027 -0.9979 O.2 1 UNL1111111111 -0.5067 5 N 0.5085 2.2942 1.3311 N.3 1 UNL1111111111 -0.4371 6 N 1.5302 -0.7382 0.2479 N.am 1 UNL1111111111 -0.6616 7 N 5.1945 -1.2792 -0.3795 N.am 1 UNL1111111111 -0.6045 8 N -0.3427 -0.2035 -2.5426 N.3 1 UNL1111111111 -0.6339 9 N -2.6359 -1.8693 1.0555 N.ar 1 UNL1111111111 -0.2442 10 N -2.1129 -3.8778 1.9086 N.ar 1 UNL1111111111 -0.3683 11 N -3.9678 0.2170 -1.2860 N.ar 1 UNL1111111111 -0.3657 12 N -5.4850 -0.7379 0.0716 N.ar 1 UNL1111111111 -0.3559 13 C 1.4443 1.2450 1.8196 C.3 1 UNL1111111111 -0.0235 14 C 1.4439 1.2686 3.3622 C.3 1 UNL1111111111 -0.2724 15 C 0.0483 3.0642 2.5165 C.3 1 UNL1111111111 -0.0979 16 C 0.9388 2.6740 3.7142 C.3 1 UNL1111111111 -0.2985 17 C 1.1163 3.1168 0.2617 C.3 1 UNL1111111111 -0.1133 18 C 0.8086 -0.0404 1.2992 C.2 1 UNL1111111111 0.6251 19 C 0.0597 4.0247 -0.3939 C.3 1 UNL1111111111 -0.2756 20 C -1.1121 3.2178 -0.9693 C.3 1 UNL1111111111 -0.2570 21 C 3.7850 -1.4500 -0.7294 C.3 1 UNL1111111111 0.0332 22 C 2.9256 -0.9523 0.4369 C.2 1 UNL1111111111 0.5704 23 C 3.5804 -0.6251 -2.0315 C.3 1 UNL1111111111 -0.2712 24 C 0.8365 -1.3599 -0.8210 C.2 1 UNL1111111111 0.6335 25 C 4.9307 0.0403 -2.3327 C.3 1 UNL1111111111 -0.3628 26 C -0.5452 -0.8305 -1.2208 C.3 1 UNL1111111111 -0.0162 27 C -2.1229 4.1617 -1.6325 C.3 1 UNL1111111111 -0.2561 28 C 5.8476 -0.3626 -1.1952 C.2 1 UNL1111111111 0.5963 29 C -1.5277 -2.0205 -1.2478 C.3 1 UNL1111111111 -0.3135 30 C -3.3753 3.4160 -2.0915 C.3 1 UNL1111111111 -0.4435 31 C -1.8576 -2.5234 0.0970 C.ar 1 UNL1111111111 -0.0250 32 C -1.5456 -3.7711 0.6525 C.ar 1 UNL1111111111 -0.0725 33 C -3.1474 -0.5093 1.0130 C.3 1 UNL1111111111 -0.0740 34 C -2.7650 -2.7282 2.1477 C.ar 1 UNL1111111111 0.0955 35 C -4.2024 -0.3544 -0.0286 C.ar 1 UNL1111111111 0.1537 36 C -5.1724 0.1747 -1.9863 C.ar 1 UNL1111111111 -0.1376 37 C -6.0986 -0.4256 -1.1306 C.ar 1 UNL1111111111 -0.0495 38 H 2.4846 1.3856 1.4382 H 1 UNL1111111111 0.1629 39 H 0.7749 0.4927 3.7818 H 1 UNL1111111111 0.1664 40 H 2.4469 1.0626 3.7707 H 1 UNL1111111111 0.1594 41 H 0.0501 4.1539 2.3405 H 1 UNL1111111111 0.1266 42 H -1.0080 2.7622 2.6949 H 1 UNL1111111111 0.1505 43 H 1.7767 3.3810 3.8369 H 1 UNL1111111111 0.1419 44 H 0.3794 2.6863 4.6615 H 1 UNL1111111111 0.1482 45 H 1.9645 3.7357 0.6266 H 1 UNL1111111111 0.1170 46 H 1.5228 2.4230 -0.5107 H 1 UNL1111111111 0.1460 47 H -0.3186 4.7634 0.3360 H 1 UNL1111111111 0.1346 48 H 0.5446 4.6122 -1.1968 H 1 UNL1111111111 0.1361 49 H 3.5590 -2.5416 -0.8983 H 1 UNL1111111111 0.1975 50 H -0.7376 2.4723 -1.6953 H 1 UNL1111111111 0.1433 51 H -1.5944 2.6410 -0.1560 H 1 UNL1111111111 0.1463 52 H 3.2609 -1.2902 -2.8550 H 1 UNL1111111111 0.1669 53 H 2.7765 0.1245 -1.9298 H 1 UNL1111111111 0.1621 54 H 5.3565 -0.2916 -3.2977 H 1 UNL1111111111 0.1751 55 H 4.8578 1.1416 -2.3984 H 1 UNL1111111111 0.1745 56 H -0.9077 -0.0321 -0.5224 H 1 UNL1111111111 0.1735 57 H -1.6522 4.6738 -2.4930 H 1 UNL1111111111 0.1326 58 H -2.4092 4.9643 -0.9254 H 1 UNL1111111111 0.1359 59 H 5.5430 -1.5810 0.5143 H 1 UNL1111111111 0.3382 60 H -2.4542 -1.7464 -1.7959 H 1 UNL1111111111 0.1609 61 H -1.0853 -2.8525 -1.8504 H 1 UNL1111111111 0.1861 62 H -3.1436 2.6753 -2.8613 H 1 UNL1111111111 0.1292 63 H -3.8707 2.9139 -1.2519 H 1 UNL1111111111 0.1459 64 H -4.1078 4.1117 -2.5210 H 1 UNL1111111111 0.1465 65 H 0.0290 -0.8577 -3.2199 H 1 UNL1111111111 0.2691 66 H -1.1983 0.1833 -2.9015 H 1 UNL1111111111 0.2489 67 H -0.9647 -4.5707 0.2363 H 1 UNL1111111111 0.1805 68 H -2.3048 0.2171 0.8636 H 1 UNL1111111111 0.1795 69 H -3.5832 -0.2503 2.0176 H 1 UNL1111111111 0.1920 70 H -3.3233 -2.4889 3.0357 H 1 UNL1111111111 0.1886 71 H -3.1128 0.6201 -1.5958 H 1 UNL1111111111 0.3132 72 H -5.2792 0.5507 -2.9808 H 1 UNL1111111111 0.1766 73 H -7.1357 -0.6501 -1.2936 H 1 UNL1111111111 0.1833 @BOND 1 1 18 2 2 2 22 2 3 3 24 2 4 4 28 2 5 5 13 1 6 5 15 1 7 5 17 1 8 6 18 am 9 6 22 am 10 6 24 am 11 7 21 1 12 7 28 am 13 7 59 1 14 8 26 1 15 8 65 1 16 8 66 1 17 9 31 ar 18 9 33 1 19 9 34 ar 20 10 32 ar 21 10 34 ar 22 11 35 ar 23 11 36 ar 24 11 71 1 25 12 35 ar 26 12 37 ar 27 13 14 1 28 13 18 1 29 13 38 1 30 14 16 1 31 14 39 1 32 14 40 1 33 15 16 1 34 15 41 1 35 15 42 1 36 16 43 1 37 16 44 1 38 17 19 1 39 17 45 1 40 17 46 1 41 19 20 1 42 19 47 1 43 19 48 1 44 20 27 1 45 20 50 1 46 20 51 1 47 21 22 1 48 21 23 1 49 21 49 1 50 23 25 1 51 23 52 1 52 23 53 1 53 24 26 1 54 25 28 1 55 25 54 1 56 25 55 1 57 26 29 1 58 26 56 1 59 27 30 1 60 27 57 1 61 27 58 1 62 29 31 1 63 29 60 1 64 29 61 1 65 30 62 1 66 30 63 1 67 30 64 1 68 31 32 ar 69 32 67 1 70 33 35 1 71 33 68 1 72 33 69 1 73 34 70 1 74 36 37 ar 75 36 72 1 76 37 73 1