@MOLECULE n-[4-(4-morpholinylcarbonyl)benzoyl]-d-valyl-n-[(3r)-5,5,6,6,6-pentafluoro-2-methyl-4-oxo-3-hexanyl]-d-prolinamide 81 83 0 0 0 SMALL GASTEIGER @ATOM 1 F -6.5236 -3.3198 -0.1323 F 1 UNL1111111111 -0.1464 2 F -6.8039 -1.7467 1.2261 F 1 UNL1111111111 -0.1659 3 F -5.7044 -1.0429 -2.0218 F 1 UNL1111111111 -0.1640 4 F -6.9014 0.0865 -0.6631 F 1 UNL1111111111 -0.1497 5 F -7.7107 -1.6021 -1.6475 F 1 UNL1111111111 -0.1783 6 O -0.2862 0.3812 0.1507 O.2 1 UNL1111111111 -0.6037 7 O -4.5681 0.9412 -0.9472 O.2 1 UNL1111111111 -0.5346 8 O -3.9563 -2.9611 -0.0520 O.2 1 UNL1111111111 -0.3185 9 O 2.5351 3.5534 -0.6931 O.2 1 UNL1111111111 -0.5243 10 O 7.4856 -4.1804 0.1770 O.3 1 UNL1111111111 -0.3723 11 O 8.7703 0.0585 -0.1310 O.2 1 UNL1111111111 -0.4993 12 N -1.4029 2.1261 -0.7139 N.am 1 UNL1111111111 -0.4943 13 N -3.0232 -0.2376 0.1945 N.am 1 UNL1111111111 -0.5928 14 N 1.8574 1.9746 0.7794 N.am 1 UNL1111111111 -0.5805 15 N 7.6368 -1.6525 -1.0873 N.am 1 UNL1111111111 -0.4698 16 C -2.2391 1.2775 -1.5804 C.3 1 UNL1111111111 0.0193 17 C -2.7795 2.2139 -2.6765 C.3 1 UNL1111111111 -0.2737 18 C -2.6826 3.6304 -2.0861 C.3 1 UNL1111111111 -0.2735 19 C -1.5702 3.5600 -1.0216 C.3 1 UNL1111111111 -0.0633 20 C -0.4095 1.5958 0.0595 C.2 1 UNL1111111111 0.5446 21 C 0.5151 2.5357 0.8517 C.3 1 UNL1111111111 -0.0014 22 C -3.3977 0.6808 -0.7595 C.2 1 UNL1111111111 0.5529 23 C -0.0169 2.6331 2.3100 C.3 1 UNL1111111111 -0.0743 24 C -4.0357 -0.8129 1.0684 C.3 1 UNL1111111111 -0.0064 25 C -3.4764 -1.2321 2.4561 C.3 1 UNL1111111111 -0.0690 26 C 0.6705 3.8018 3.0197 C.3 1 UNL1111111111 -0.4452 27 C 0.1883 1.3379 3.0967 C.3 1 UNL1111111111 -0.4599 28 C -4.5975 -2.0408 0.3540 C.2 1 UNL1111111111 0.3747 29 C -2.1803 -2.0347 2.3544 C.3 1 UNL1111111111 -0.4639 30 C -3.2671 0.0232 3.3071 C.3 1 UNL1111111111 -0.4555 31 C 2.7873 2.5359 -0.0799 C.2 1 UNL1111111111 0.5768 32 C -6.1353 -2.0668 0.1144 C.3 1 UNL1111111111 0.1961 33 C 4.0826 1.8112 -0.1667 C.ar 1 UNL1111111111 -0.1092 34 C -6.6107 -1.1436 -1.0587 C.3 1 UNL1111111111 0.4740 35 C 4.7591 1.4159 0.9871 C.ar 1 UNL1111111111 -0.1228 36 C 4.6034 1.5471 -1.4333 C.ar 1 UNL1111111111 -0.0944 37 C 8.8249 -2.5162 -0.9782 C.3 1 UNL1111111111 -0.1195 38 C 6.3896 -2.4291 -1.0942 C.3 1 UNL1111111111 -0.1266 39 C 6.4399 0.3908 -0.3954 C.ar 1 UNL1111111111 -0.0878 40 C 5.9494 0.7030 0.8720 C.ar 1 UNL1111111111 -0.1264 41 C 5.7908 0.8277 -1.5487 C.ar 1 UNL1111111111 -0.1313 42 C 7.7027 -0.3956 -0.4874 C.2 1 UNL1111111111 0.5504 43 C 6.3351 -3.3589 0.1345 C.3 1 UNL1111111111 -0.0786 44 C 8.6943 -3.4435 0.2436 C.3 1 UNL1111111111 -0.0780 45 H -1.6289 0.4392 -2.0116 H 1 UNL1111111111 0.1756 46 H -3.8236 1.9612 -2.9499 H 1 UNL1111111111 0.1822 47 H -2.1822 2.1217 -3.5996 H 1 UNL1111111111 0.1492 48 H -2.4606 4.3819 -2.8596 H 1 UNL1111111111 0.1497 49 H -3.6470 3.9215 -1.6285 H 1 UNL1111111111 0.1590 50 H -0.6166 3.9859 -1.4087 H 1 UNL1111111111 0.1515 51 H -1.8502 4.1123 -0.1005 H 1 UNL1111111111 0.1404 52 H 0.5305 3.5700 0.4024 H 1 UNL1111111111 0.1892 53 H -1.1153 2.8432 2.2484 H 1 UNL1111111111 0.1371 54 H -4.8488 -0.0445 1.2319 H 1 UNL1111111111 0.1868 55 H -2.0429 -0.4531 0.3719 H 1 UNL1111111111 0.3563 56 H -4.2527 -1.8723 2.9499 H 1 UNL1111111111 0.1467 57 H 1.9787 1.0477 1.1679 H 1 UNL1111111111 0.3297 58 H 0.3416 3.8818 4.0618 H 1 UNL1111111111 0.1479 59 H 0.4563 4.7597 2.5329 H 1 UNL1111111111 0.1459 60 H 1.7614 3.6792 3.0281 H 1 UNL1111111111 0.1577 61 H -0.3918 1.3461 4.0267 H 1 UNL1111111111 0.1480 62 H -0.1282 0.4562 2.5217 H 1 UNL1111111111 0.1633 63 H 1.2374 1.1903 3.3765 H 1 UNL1111111111 0.1507 64 H -2.8311 -0.2278 4.2809 H 1 UNL1111111111 0.1493 65 H -4.2105 0.5483 3.4970 H 1 UNL1111111111 0.1499 66 H -1.3271 -1.4183 2.0425 H 1 UNL1111111111 0.1541 67 H -1.9141 -2.4784 3.3204 H 1 UNL1111111111 0.1492 68 H -2.2636 -2.8581 1.6306 H 1 UNL1111111111 0.1692 69 H -2.5881 0.7333 2.8193 H 1 UNL1111111111 0.1518 70 H 4.3674 1.6700 1.9718 H 1 UNL1111111111 0.1612 71 H 4.0824 1.9050 -2.3239 H 1 UNL1111111111 0.1725 72 H 9.7471 -1.8938 -0.9082 H 1 UNL1111111111 0.1761 73 H 8.9024 -3.1129 -1.9149 H 1 UNL1111111111 0.1550 74 H 6.3731 -3.0372 -2.0301 H 1 UNL1111111111 0.1623 75 H 5.5002 -1.7664 -1.1306 H 1 UNL1111111111 0.1554 76 H 6.4994 0.3990 1.7630 H 1 UNL1111111111 0.1672 77 H 6.2107 0.6094 -2.5319 H 1 UNL1111111111 0.1706 78 H 8.7383 -2.8831 1.1933 H 1 UNL1111111111 0.1322 79 H 9.4613 -4.2383 0.2471 H 1 UNL1111111111 0.1483 80 H 5.5132 -4.0939 0.0616 H 1 UNL1111111111 0.1503 81 H 6.2432 -2.7944 1.0775 H 1 UNL1111111111 0.1253 @BOND 1 1 32 1 2 2 32 1 3 3 34 1 4 4 34 1 5 5 34 1 6 6 20 2 7 7 22 2 8 8 28 2 9 9 31 2 10 10 43 1 11 10 44 1 12 11 42 2 13 12 16 1 14 12 19 1 15 12 20 am 16 13 22 am 17 13 24 1 18 13 55 1 19 14 21 1 20 14 31 am 21 14 57 1 22 15 37 1 23 15 38 1 24 15 42 am 25 16 17 1 26 16 22 1 27 16 45 1 28 17 18 1 29 17 46 1 30 17 47 1 31 18 19 1 32 18 48 1 33 18 49 1 34 19 50 1 35 19 51 1 36 20 21 1 37 21 23 1 38 21 52 1 39 23 26 1 40 23 27 1 41 23 53 1 42 24 25 1 43 24 28 1 44 24 54 1 45 25 29 1 46 25 30 1 47 25 56 1 48 26 58 1 49 26 59 1 50 26 60 1 51 27 61 1 52 27 62 1 53 27 63 1 54 28 32 1 55 29 66 1 56 29 67 1 57 29 68 1 58 30 64 1 59 30 65 1 60 30 69 1 61 31 33 1 62 32 34 1 63 33 35 ar 64 33 36 ar 65 35 40 ar 66 35 70 1 67 36 41 ar 68 36 71 1 69 37 44 1 70 37 72 1 71 37 73 1 72 38 43 1 73 38 74 1 74 38 75 1 75 39 40 ar 76 39 41 ar 77 39 42 1 78 40 76 1 79 41 77 1 80 43 80 1 81 43 81 1 82 44 78 1 83 44 79 1