@MOLECULE n-[(2s)-1-{[(2s)-1-{[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-2-pentanyl]amino}-1-oxo-2-hexanyl]amino}-1-oxo-3-phenyl-2-propanyl]-4-morpholinecarboxamide 94 96 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.6591 2.7679 0.8428 O.3 1 UNL1111111111 -0.3794 2 C 6.4836 2.5236 1.5900 C.3 1 UNL1111111111 -0.0781 3 C 6.3982 1.0329 1.9749 C.3 1 UNL1111111111 -0.1290 4 N 6.4767 0.1695 0.7797 N.am 1 UNL1111111111 -0.4753 5 C 7.6685 0.5033 -0.0318 C.3 1 UNL1111111111 -0.1259 6 C 7.7248 2.0066 -0.3515 C.3 1 UNL1111111111 -0.0778 7 C 5.2915 0.0322 0.0015 C.2 1 UNL1111111111 0.6922 8 O 5.2708 0.1940 -1.2037 O.2 1 UNL1111111111 -0.5546 9 N 4.1510 -0.3483 0.7074 N.am 1 UNL1111111111 -0.5963 10 C 3.0100 -0.8493 -0.0590 C.3 1 UNL1111111111 0.0286 11 C 1.7708 -0.2377 0.6222 C.2 1 UNL1111111111 0.5638 12 O 1.5251 -0.4099 1.7987 O.2 1 UNL1111111111 -0.5467 13 C 2.8857 -2.3880 0.0013 C.3 1 UNL1111111111 -0.3243 14 C 4.0851 -3.0147 -0.6405 C.ar 1 UNL1111111111 0.0094 15 C 4.1622 -3.1008 -2.0325 C.ar 1 UNL1111111111 -0.1568 16 C 5.1426 -3.4779 0.1445 C.ar 1 UNL1111111111 -0.1685 17 C 5.3000 -3.6308 -2.6356 C.ar 1 UNL1111111111 -0.1339 18 C 6.2797 -4.0061 -0.4635 C.ar 1 UNL1111111111 -0.1379 19 C 6.3624 -4.0790 -1.8526 C.ar 1 UNL1111111111 -0.1585 20 N 0.9597 0.5346 -0.1764 N.am 1 UNL1111111111 -0.5784 21 C -0.1909 1.2218 0.4012 C.3 1 UNL1111111111 0.0028 22 C -1.4606 0.5074 -0.1026 C.2 1 UNL1111111111 0.5378 23 O -1.6837 0.3171 -1.2741 O.2 1 UNL1111111111 -0.4772 24 C -0.2786 2.6824 -0.0809 C.3 1 UNL1111111111 -0.3024 25 C 0.9052 3.5078 0.4321 C.3 1 UNL1111111111 -0.2589 26 C 0.8187 4.9495 -0.0863 C.3 1 UNL1111111111 -0.2520 27 C 2.0330 5.7595 0.3672 C.3 1 UNL1111111111 -0.4416 28 F -3.7480 1.9012 -1.3450 F 1 UNL1111111111 -0.1847 29 F -4.9578 0.3033 -1.9877 F 1 UNL1111111111 -0.1668 30 N -2.3843 0.1780 0.8804 N.am 1 UNL1111111111 -0.6374 31 N -6.2037 3.1984 -0.3091 N.am 1 UNL1111111111 -0.5543 32 O -4.5773 1.6754 1.2759 O.3 1 UNL1111111111 -0.5553 33 O -6.8566 2.0363 -2.1559 O.2 1 UNL1111111111 -0.4809 34 C -3.6487 -0.4694 0.5023 C.3 1 UNL1111111111 0.0575 35 C -4.0394 -1.5081 1.5709 C.3 1 UNL1111111111 -0.3401 36 C -5.1569 -2.4495 1.0827 C.3 1 UNL1111111111 -0.0850 37 C -5.7144 -3.2419 2.2804 C.3 1 UNL1111111111 -0.2797 38 C -4.6379 -3.4263 0.0130 C.3 1 UNL1111111111 -0.2778 39 C -6.8381 -4.1809 1.8227 C.3 1 UNL1111111111 -0.2627 40 C -5.7666 -4.3590 -0.4470 C.3 1 UNL1111111111 -0.2584 41 C -6.3341 -5.1450 0.7412 C.3 1 UNL1111111111 -0.2681 42 C -4.7646 0.6120 0.3765 C.3 1 UNL1111111111 0.0629 43 C -4.8735 1.2439 -1.0423 C.3 1 UNL1111111111 0.2541 44 C -6.0938 2.1968 -1.2317 C.2 1 UNL1111111111 0.5051 45 C -7.3067 4.1551 -0.3790 C.3 1 UNL1111111111 -0.2267 46 H 6.6145 3.1725 2.4740 H 1 UNL1111111111 0.1453 47 H 5.6000 2.8546 1.0169 H 1 UNL1111111111 0.1317 48 H 5.4761 0.8290 2.5555 H 1 UNL1111111111 0.1476 49 H 7.2566 0.7600 2.6330 H 1 UNL1111111111 0.1616 50 H 7.6635 -0.0974 -0.9705 H 1 UNL1111111111 0.1687 51 H 8.5618 0.1914 0.5541 H 1 UNL1111111111 0.1558 52 H 6.9090 2.3082 -1.0337 H 1 UNL1111111111 0.1436 53 H 8.6972 2.3081 -0.7774 H 1 UNL1111111111 0.1454 54 H 4.2162 -0.6712 1.6648 H 1 UNL1111111111 0.3237 55 H 3.1072 -0.5209 -1.1329 H 1 UNL1111111111 0.1915 56 H 2.7678 -2.7203 1.0544 H 1 UNL1111111111 0.1702 57 H 1.9513 -2.7097 -0.5045 H 1 UNL1111111111 0.1678 58 H 3.3400 -2.7419 -2.6484 H 1 UNL1111111111 0.1536 59 H 5.0876 -3.4189 1.2287 H 1 UNL1111111111 0.1498 60 H 5.3605 -3.6892 -3.7207 H 1 UNL1111111111 0.1483 61 H 7.1070 -4.3571 0.1497 H 1 UNL1111111111 0.1479 62 H 7.2553 -4.4821 -2.3247 H 1 UNL1111111111 0.1488 63 H 1.1161 0.6622 -1.1668 H 1 UNL1111111111 0.3319 64 H -0.1147 1.1925 1.5234 H 1 UNL1111111111 0.1783 65 H -0.3210 2.7156 -1.1903 H 1 UNL1111111111 0.1686 66 H -1.2330 3.1292 0.2583 H 1 UNL1111111111 0.1481 67 H 0.9317 3.5014 1.5379 H 1 UNL1111111111 0.1381 68 H 1.8614 3.0501 0.1086 H 1 UNL1111111111 0.1518 69 H 0.7553 4.9539 -1.1919 H 1 UNL1111111111 0.1390 70 H -0.1125 5.4279 0.2709 H 1 UNL1111111111 0.1325 71 H 2.1162 5.7855 1.4593 H 1 UNL1111111111 0.1410 72 H 2.9658 5.3380 -0.0260 H 1 UNL1111111111 0.1482 73 H 1.9705 6.7966 0.0190 H 1 UNL1111111111 0.1405 74 H -2.1233 0.1484 1.8540 H 1 UNL1111111111 0.3164 75 H -3.6246 1.9194 1.3372 H 1 UNL1111111111 0.3397 76 H -3.5054 -0.9907 -0.4870 H 1 UNL1111111111 0.1881 77 H -3.1521 -2.1105 1.8511 H 1 UNL1111111111 0.1553 78 H -4.3598 -0.9923 2.4974 H 1 UNL1111111111 0.1541 79 H -5.9875 -1.8482 0.6404 H 1 UNL1111111111 0.1381 80 H -4.9072 -3.8264 2.7581 H 1 UNL1111111111 0.1376 81 H -6.0954 -2.5515 3.0546 H 1 UNL1111111111 0.1303 82 H -4.2357 -2.8731 -0.8563 H 1 UNL1111111111 0.1402 83 H -3.7974 -4.0225 0.4126 H 1 UNL1111111111 0.1372 84 H -7.2337 -4.7474 2.6844 H 1 UNL1111111111 0.1279 85 H -7.6892 -3.5914 1.4328 H 1 UNL1111111111 0.1376 86 H -6.5698 -3.7713 -0.9313 H 1 UNL1111111111 0.1416 87 H -5.3909 -5.0552 -1.2187 H 1 UNL1111111111 0.1314 88 H -5.5583 -5.8125 1.1594 H 1 UNL1111111111 0.1349 89 H -7.1554 -5.8036 0.4062 H 1 UNL1111111111 0.1295 90 H -5.7579 0.1969 0.6758 H 1 UNL1111111111 0.1696 91 H -7.9812 3.9251 -1.2285 H 1 UNL1111111111 0.1757 92 H -7.9063 4.1334 0.5476 H 1 UNL1111111111 0.1378 93 H -6.9140 5.1773 -0.5296 H 1 UNL1111111111 0.1436 94 H -5.6107 3.2181 0.5095 H 1 UNL1111111111 0.3316 @BOND 1 1 2 1 2 2 3 1 3 2 46 1 4 2 47 1 5 3 4 1 6 3 48 1 7 3 49 1 8 4 7 am 9 5 4 1 10 5 50 1 11 5 51 1 12 6 1 1 13 6 5 1 14 6 52 1 15 6 53 1 16 7 9 am 17 7 8 2 18 9 10 1 19 9 54 1 20 10 13 1 21 10 55 1 22 11 10 1 23 11 20 am 24 12 11 2 25 13 14 1 26 13 56 1 27 13 57 1 28 14 16 ar 29 15 14 ar 30 15 17 ar 31 15 58 1 32 16 18 ar 33 16 59 1 34 17 19 ar 35 17 60 1 36 18 61 1 37 19 18 ar 38 19 62 1 39 20 21 1 40 20 63 1 41 21 22 1 42 21 64 1 43 22 30 am 44 22 23 2 45 24 21 1 46 24 65 1 47 24 66 1 48 25 24 1 49 25 67 1 50 25 68 1 51 26 25 1 52 26 27 1 53 26 69 1 54 26 70 1 55 27 71 1 56 27 72 1 57 27 73 1 58 28 43 1 59 30 34 1 60 30 74 1 61 31 45 1 62 31 94 1 63 32 42 1 64 32 75 1 65 33 44 2 66 34 42 1 67 34 35 1 68 34 76 1 69 35 77 1 70 35 78 1 71 36 35 1 72 36 37 1 73 36 38 1 74 36 79 1 75 37 80 1 76 37 81 1 77 38 82 1 78 38 83 1 79 39 37 1 80 39 41 1 81 39 84 1 82 39 85 1 83 40 38 1 84 40 41 1 85 40 86 1 86 40 87 1 87 41 88 1 88 41 89 1 89 42 90 1 90 43 29 1 91 43 42 1 92 43 44 1 93 44 31 am 94 45 91 1 95 45 92 1 96 45 93 1