@MOLECULE (1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(3r)-1-(cyclopropylamino)-2-hydroxy-1-oxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamide 104 108 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.1004 0.4189 -0.1149 C.ar 1 UNL1111111111 -0.0288 2 C 8.3931 -0.4370 1.5862 C.ar 1 UNL1111111111 -0.0391 3 C 9.4859 0.3369 1.1358 C.ar 1 UNL1111111111 -0.0068 4 C 5.7952 0.5047 -0.8472 C.2 1 UNL1111111111 0.5782 5 C 8.1905 1.1891 -0.5717 C.ar 1 UNL1111111111 0.0351 6 O 5.7139 1.1325 -1.8882 O.2 1 UNL1111111111 -0.5328 7 N 7.2091 -0.3887 0.9568 N.ar 1 UNL1111111111 -0.2999 8 N 9.3752 1.1397 0.0636 N.ar 1 UNL1111111111 -0.3142 9 N 4.7224 -0.1363 -0.2924 N.am 1 UNL1111111111 -0.5364 10 C 3.4200 -0.0815 -0.9450 C.3 1 UNL1111111111 -0.0087 11 C 2.4328 0.5119 0.0729 C.2 1 UNL1111111111 0.5565 12 O 2.4419 0.2126 1.2515 O.2 1 UNL1111111111 -0.5589 13 C 2.8950 -1.4752 -1.3825 C.3 1 UNL1111111111 -0.1131 14 C 2.8833 -2.4917 -0.2313 C.3 1 UNL1111111111 -0.2818 15 C 2.3092 -3.8265 -0.7227 C.3 1 UNL1111111111 -0.2592 16 C 3.1487 -4.3699 -1.8870 C.3 1 UNL1111111111 -0.2636 17 C 3.1976 -3.3513 -3.0336 C.3 1 UNL1111111111 -0.2637 18 C 3.7526 -2.0087 -2.5422 C.3 1 UNL1111111111 -0.2672 19 N 1.5277 1.4217 -0.4231 N.am 1 UNL1111111111 -0.5760 20 C 0.4982 1.9547 0.4674 C.3 1 UNL1111111111 -0.0166 21 C 0.1830 3.4600 0.1952 C.3 1 UNL1111111111 0.1213 22 C -0.3477 3.7007 -1.2190 C.3 1 UNL1111111111 -0.4657 23 C -0.8672 3.8990 1.2253 C.3 1 UNL1111111111 -0.4806 24 C 1.4711 4.2682 0.4073 C.3 1 UNL1111111111 -0.4630 25 C -0.7326 1.0639 0.2349 C.2 1 UNL1111111111 0.5516 26 O -1.1916 0.9144 -0.8879 O.2 1 UNL1111111111 -0.5839 27 C -3.7239 -0.0256 0.8959 C.2 1 UNL1111111111 0.5627 28 N -1.3434 0.4369 1.2972 N.am 1 UNL1111111111 -0.4817 29 O -4.6181 -0.2555 1.6957 O.2 1 UNL1111111111 -0.6026 30 C -2.3179 -0.6353 1.0169 C.3 1 UNL1111111111 -0.0086 31 C -2.2377 -1.6401 2.1886 C.3 1 UNL1111111111 -0.1226 32 C -1.0346 -1.1843 3.0594 C.3 1 UNL1111111111 -0.1137 33 C -1.8992 -3.0583 1.7110 C.3 1 UNL1111111111 -0.2770 34 C -0.3640 -3.1124 1.6610 C.3 1 UNL1111111111 -0.2551 35 C -0.7366 0.2651 2.6298 C.3 1 UNL1111111111 -0.0919 36 C 0.1255 -2.1557 2.7626 C.3 1 UNL1111111111 -0.2860 37 N -6.3275 -1.3553 -0.3989 N.am 1 UNL1111111111 -0.5581 38 N -3.9410 0.7406 -0.2156 N.am 1 UNL1111111111 -0.5807 39 C -5.2113 1.4409 -0.4165 C.3 1 UNL1111111111 0.0644 40 C -5.9916 0.8060 -1.6008 C.3 1 UNL1111111111 0.0314 41 C -4.9481 2.9268 -0.7326 C.3 1 UNL1111111111 -0.2877 42 C -4.5461 3.6936 0.5305 C.3 1 UNL1111111111 -0.2512 43 C -4.0871 5.1084 0.1803 C.3 1 UNL1111111111 -0.4422 44 C -6.0573 -0.7276 -1.5922 C.2 1 UNL1111111111 0.5312 45 C -6.3523 -2.7971 -0.3529 C.3 1 UNL1111111111 0.0645 46 C -5.4966 -3.5073 0.6845 C.3 1 UNL1111111111 -0.3573 47 C -6.9973 -3.4503 0.8554 C.3 1 UNL1111111111 -0.3477 48 O -5.3602 1.2447 -2.7788 O.3 1 UNL1111111111 -0.5407 49 O -5.9660 -1.3358 -2.6437 O.2 1 UNL1111111111 -0.5485 50 H 8.1111 1.8452 -1.4513 H 1 UNL1111111111 0.2116 51 H 8.4632 -1.0988 2.4551 H 1 UNL1111111111 0.1893 52 H 10.4606 0.3157 1.6349 H 1 UNL1111111111 0.1865 53 H 4.7885 -0.6415 0.5874 H 1 UNL1111111111 0.3480 54 H 3.4948 0.5774 -1.8601 H 1 UNL1111111111 0.1902 55 H 1.8455 -1.3390 -1.7476 H 1 UNL1111111111 0.1474 56 H 3.9064 -2.6511 0.1582 H 1 UNL1111111111 0.1467 57 H 2.2915 -2.1084 0.6222 H 1 UNL1111111111 0.1484 58 H 2.2882 -4.5576 0.1053 H 1 UNL1111111111 0.1286 59 H 1.2588 -3.6973 -1.0442 H 1 UNL1111111111 0.1357 60 H 4.1739 -4.5964 -1.5395 H 1 UNL1111111111 0.1363 61 H 2.7296 -5.3268 -2.2453 H 1 UNL1111111111 0.1269 62 H 3.8223 -3.7387 -3.8588 H 1 UNL1111111111 0.1294 63 H 2.1858 -3.2121 -3.4586 H 1 UNL1111111111 0.1383 64 H 3.7806 -1.2807 -3.3738 H 1 UNL1111111111 0.1386 65 H 4.8024 -2.1305 -2.2135 H 1 UNL1111111111 0.1475 66 H 1.4186 1.6183 -1.4078 H 1 UNL1111111111 0.3301 67 H 0.8650 1.8776 1.5315 H 1 UNL1111111111 0.1828 68 H -1.2599 3.1208 -1.4200 H 1 UNL1111111111 0.1717 69 H -0.5993 4.7562 -1.3715 H 1 UNL1111111111 0.1469 70 H 0.3803 3.4281 -1.9892 H 1 UNL1111111111 0.1471 71 H -0.5148 3.7715 2.2536 H 1 UNL1111111111 0.1475 72 H -1.1213 4.9581 1.1007 H 1 UNL1111111111 0.1560 73 H -1.8021 3.3331 1.1184 H 1 UNL1111111111 0.1589 74 H 2.2576 3.9693 -0.2957 H 1 UNL1111111111 0.1560 75 H 1.2936 5.3388 0.2615 H 1 UNL1111111111 0.1484 76 H 1.8740 4.1368 1.4173 H 1 UNL1111111111 0.1482 77 H -2.0652 -1.1386 0.0404 H 1 UNL1111111111 0.1823 78 H -3.1819 -1.6289 2.7769 H 1 UNL1111111111 0.1706 79 H -1.2946 -1.2174 4.1358 H 1 UNL1111111111 0.1404 80 H -2.2917 -3.8054 2.4237 H 1 UNL1111111111 0.1419 81 H -2.3561 -3.2990 0.7382 H 1 UNL1111111111 0.1432 82 H 0.0163 -4.1339 1.8072 H 1 UNL1111111111 0.1313 83 H 0.0012 -2.7818 0.6722 H 1 UNL1111111111 0.1393 84 H 0.3588 0.4645 2.6155 H 1 UNL1111111111 0.1643 85 H -1.2068 0.9953 3.3249 H 1 UNL1111111111 0.1451 86 H 1.0402 -1.6208 2.4476 H 1 UNL1111111111 0.1566 87 H 0.4036 -2.7140 3.6709 H 1 UNL1111111111 0.1333 88 H -6.1786 -0.8748 0.4895 H 1 UNL1111111111 0.3396 89 H -3.1802 0.9501 -0.8651 H 1 UNL1111111111 0.3557 90 H -5.8367 1.3587 0.5157 H 1 UNL1111111111 0.1637 91 H -7.0325 1.2128 -1.6351 H 1 UNL1111111111 0.1535 92 H -4.1630 3.0131 -1.5124 H 1 UNL1111111111 0.1666 93 H -5.8469 3.3818 -1.1899 H 1 UNL1111111111 0.1539 94 H -5.3931 3.7330 1.2415 H 1 UNL1111111111 0.1351 95 H -3.7382 3.1532 1.0634 H 1 UNL1111111111 0.1407 96 H -4.8795 5.6743 -0.3220 H 1 UNL1111111111 0.1433 97 H -3.8003 5.6678 1.0770 H 1 UNL1111111111 0.1383 98 H -3.2193 5.0923 -0.4902 H 1 UNL1111111111 0.1454 99 H -6.4812 -3.2504 -1.3503 H 1 UNL1111111111 0.1864 100 H -5.0118 -4.4429 0.4299 H 1 UNL1111111111 0.1583 101 H -4.8658 -2.9239 1.3538 H 1 UNL1111111111 0.1721 102 H -7.4213 -2.8360 1.6453 H 1 UNL1111111111 0.1649 103 H -7.5965 -4.3446 0.7219 H 1 UNL1111111111 0.1576 104 H -5.2680 0.4965 -3.4238 H 1 UNL1111111111 0.3505 @BOND 1 1 4 1 2 2 7 ar 3 2 51 1 4 3 8 ar 5 3 2 ar 6 3 52 1 7 4 9 am 8 4 6 2 9 5 1 ar 10 5 50 1 11 7 1 ar 12 8 5 ar 13 9 10 1 14 9 53 1 15 10 13 1 16 10 54 1 17 11 19 am 18 11 10 1 19 12 11 2 20 13 18 1 21 13 14 1 22 13 55 1 23 14 15 1 24 14 56 1 25 14 57 1 26 15 16 1 27 15 58 1 28 15 59 1 29 16 60 1 30 16 61 1 31 17 16 1 32 17 62 1 33 17 63 1 34 18 17 1 35 18 64 1 36 18 65 1 37 19 66 1 38 20 19 1 39 20 25 1 40 20 67 1 41 21 20 1 42 21 22 1 43 22 68 1 44 22 69 1 45 22 70 1 46 23 21 1 47 23 71 1 48 23 72 1 49 23 73 1 50 24 21 1 51 24 74 1 52 24 75 1 53 24 76 1 54 25 26 2 55 27 30 1 56 27 38 am 57 28 25 am 58 28 30 1 59 29 27 2 60 30 77 1 61 31 30 1 62 31 33 1 63 31 78 1 64 32 31 1 65 32 36 1 66 32 79 1 67 33 80 1 68 33 81 1 69 34 33 1 70 34 82 1 71 34 83 1 72 35 28 1 73 35 32 1 74 35 84 1 75 35 85 1 76 36 34 1 77 36 86 1 78 36 87 1 79 37 44 am 80 37 88 1 81 38 89 1 82 39 38 1 83 39 40 1 84 39 41 1 85 39 90 1 86 40 91 1 87 41 92 1 88 41 93 1 89 42 41 1 90 42 43 1 91 42 94 1 92 42 95 1 93 43 96 1 94 43 97 1 95 43 98 1 96 44 40 1 97 44 49 2 98 45 37 1 99 45 99 1 100 46 45 1 101 46 100 1 102 46 101 1 103 47 45 1 104 47 46 1 105 47 102 1 106 47 103 1 107 48 40 1 108 48 104 1