@MOLECULE n-[4-(4-morpholinylcarbonyl)benzoyl]-l-valyl-n-[(3s)-5,5,6,6,6-pentafluoro-2-methyl-4-oxo-3-hexanyl]-l-prolinamide 81 83 0 0 0 SMALL USER_CHARGES @ATOM 1 F -7.7202 -0.7424 -1.2087 F 1 UNL11111111 -0.1540 2 F -7.7078 -2.8244 -0.8854 F 1 UNL11111111 -0.1375 3 F -7.0022 -0.3076 1.4848 F 1 UNL11111111 -0.1719 4 F -7.0180 -2.4046 1.8205 F 1 UNL11111111 -0.1654 5 F -8.7991 -1.4071 1.2432 F 1 UNL11111111 -0.1611 6 O -0.2644 1.1823 -1.1952 O.2 1 UNL11111111 -0.5676 7 O -3.4796 1.6289 0.2952 O.2 1 UNL11111111 -0.5025 8 O -5.0815 -2.8391 -0.7190 O.2 1 UNL11111111 -0.3332 9 O 2.8136 2.4452 1.8747 O.2 1 UNL11111111 -0.5388 10 O 8.6754 -4.4121 0.4659 O.3 1 UNL11111111 -0.3718 11 O 8.7540 -0.0416 -1.5357 O.2 1 UNL11111111 -0.5169 12 N -0.7105 1.3760 0.9932 N.am 1 UNL11111111 -0.4869 13 N -3.5766 -0.5777 -0.2398 N.am 1 UNL11111111 -0.6098 14 N 2.2341 2.3597 -0.3047 N.am 1 UNL11111111 -0.5893 15 N 8.3445 -1.6727 -0.0420 N.am 1 UNL11111111 -0.4963 16 C -1.6154 0.2245 0.9952 C.3 1 UNL11111111 0.0192 17 C -1.9167 -0.0424 2.4882 C.3 1 UNL11111111 -0.2779 18 C -1.7279 1.3223 3.1725 C.3 1 UNL11111111 -0.2748 19 C -0.7375 2.0985 2.2789 C.3 1 UNL11111111 -0.0583 20 C -0.0900 1.7934 -0.1549 C.2 1 UNL11111111 0.5512 21 C 0.9237 2.9520 -0.0530 C.3 1 UNL11111111 0.0033 22 C -2.9515 0.5420 0.2939 C.2 1 UNL11111111 0.5612 23 C 0.6010 4.0329 -1.1139 C.3 1 UNL11111111 -0.0753 24 C -4.8488 -0.4493 -0.9468 C.3 1 UNL11111111 -0.0043 25 C -4.6977 -0.2261 -2.4825 C.3 1 UNL11111111 -0.0776 26 C -0.8236 4.5405 -0.8947 C.3 1 UNL11111111 -0.4612 27 C 1.6172 5.1710 -0.9916 C.3 1 UNL11111111 -0.4489 28 C -5.5951 -1.7593 -0.7282 C.2 1 UNL11111111 0.3747 29 C -4.4309 1.2553 -2.7463 C.3 1 UNL11111111 -0.4525 30 C -3.5783 -1.0830 -3.0725 C.3 1 UNL11111111 -0.4622 31 C 3.0955 2.1002 0.7420 C.2 1 UNL11111111 0.5822 32 C -7.1306 -1.6918 -0.4801 C.3 1 UNL11111111 0.1955 33 C 4.3560 1.4028 0.3700 C.ar 1 UNL11111111 -0.1134 34 C -7.4917 -1.4543 1.0258 C.3 1 UNL11111111 0.4616 35 C 5.5256 1.7363 1.0520 C.ar 1 UNL11111111 -0.0892 36 C 4.3647 0.4318 -0.6319 C.ar 1 UNL11111111 -0.1239 37 C 9.6244 -2.3277 -0.3330 C.3 1 UNL11111111 -0.1058 38 C 7.5388 -2.3285 0.9889 C.3 1 UNL11111111 -0.1074 39 C 6.7307 0.1503 -0.2996 C.ar 1 UNL11111111 -0.0799 40 C 6.7214 1.1004 0.7188 C.ar 1 UNL11111111 -0.1370 41 C 5.5631 -0.1828 -0.9838 C.ar 1 UNL11111111 -0.1350 42 C 8.0135 -0.5035 -0.6891 C.2 1 UNL11111111 0.5618 43 C 9.3924 -3.8241 -0.6051 C.3 1 UNL11111111 -0.0668 44 C 7.4003 -3.8285 0.6453 C.3 1 UNL11111111 -0.0635 45 H -1.0996 -0.6347 0.4959 H 1 UNL11111111 0.1646 46 H -1.2151 -0.7892 2.8987 H 1 UNL11111111 0.1541 47 H -2.9325 -0.4465 2.6457 H 1 UNL11111111 0.1588 48 H -2.6940 1.8576 3.2391 H 1 UNL11111111 0.1575 49 H -1.3502 1.2163 4.2019 H 1 UNL11111111 0.1487 50 H -1.0660 3.1490 2.1324 H 1 UNL11111111 0.1406 51 H 0.2882 2.1019 2.7136 H 1 UNL11111111 0.1613 52 H 0.9170 3.4251 0.9676 H 1 UNL11111111 0.1837 53 H 0.6704 3.5760 -2.1338 H 1 UNL11111111 0.1537 54 H -5.4113 0.4242 -0.5066 H 1 UNL11111111 0.1970 55 H -3.0548 -1.4283 -0.4312 H 1 UNL11111111 0.3232 56 H -5.6615 -0.5056 -2.9768 H 1 UNL11111111 0.1415 57 H 2.4230 2.0713 -1.2533 H 1 UNL11111111 0.3261 58 H -0.9769 4.9199 0.1189 H 1 UNL11111111 0.1461 59 H -1.5634 3.7451 -1.0689 H 1 UNL11111111 0.1622 60 H -1.0643 5.3562 -1.5868 H 1 UNL11111111 0.1550 61 H 1.6040 5.6153 0.0105 H 1 UNL11111111 0.1495 62 H 2.6388 4.8190 -1.1773 H 1 UNL11111111 0.1503 63 H 1.4124 5.9730 -1.7071 H 1 UNL11111111 0.1467 64 H -3.4821 1.5841 -2.2958 H 1 UNL11111111 0.1687 65 H -4.3653 1.4609 -3.8194 H 1 UNL11111111 0.1482 66 H -5.2161 1.8966 -2.3315 H 1 UNL11111111 0.1520 67 H -3.5479 -0.9839 -4.1642 H 1 UNL11111111 0.1531 68 H -3.7050 -2.1472 -2.8404 H 1 UNL11111111 0.1505 69 H -2.5877 -0.7705 -2.7135 H 1 UNL11111111 0.1615 70 H 5.4962 2.4836 1.8490 H 1 UNL11111111 0.1749 71 H 3.4424 0.1376 -1.1366 H 1 UNL11111111 0.1639 72 H 10.1104 -1.8440 -1.2146 H 1 UNL11111111 0.1775 73 H 10.3076 -2.1933 0.5356 H 1 UNL11111111 0.1467 74 H 8.0447 -2.2122 1.9764 H 1 UNL11111111 0.1510 75 H 6.5354 -1.8579 1.0753 H 1 UNL11111111 0.1530 76 H 7.6404 1.3539 1.2493 H 1 UNL11111111 0.1675 77 H 5.5892 -0.9157 -1.7914 H 1 UNL11111111 0.1667 78 H 10.3410 -4.3909 -0.6082 H 1 UNL11111111 0.1461 79 H 8.8545 -3.9940 -1.5525 H 1 UNL11111111 0.1306 80 H 6.7848 -3.9841 -0.2560 H 1 UNL11111111 0.1285 81 H 6.9815 -4.4098 1.4873 H 1 UNL11111111 0.1465 @BOND 1 67 30 1 2 65 29 1 3 30 68 1 4 30 69 1 5 30 25 1 6 56 25 1 7 29 25 1 8 29 66 1 9 29 64 1 10 25 24 1 11 53 23 1 12 77 41 1 13 63 27 1 14 60 26 1 15 79 43 1 16 11 42 2 17 57 14 1 18 72 37 1 19 1 32 1 20 6 20 2 21 62 27 1 22 71 36 1 23 23 27 1 24 23 26 1 25 23 21 1 26 59 26 1 27 27 61 1 28 41 36 ar 29 41 39 ar 30 24 28 1 31 24 54 1 32 24 13 1 33 26 58 1 34 2 32 1 35 28 8 2 36 28 32 1 37 42 39 1 38 42 15 am 39 36 33 ar 40 78 43 1 41 43 37 1 42 43 10 1 43 32 34 1 44 55 13 1 45 37 15 1 46 37 73 1 47 14 21 1 48 14 31 am 49 39 40 ar 50 80 44 1 51 13 22 am 52 20 21 1 53 20 12 am 54 21 52 1 55 15 38 1 56 7 22 2 57 22 16 1 58 33 31 1 59 33 35 ar 60 10 44 1 61 45 16 1 62 44 38 1 63 44 81 1 64 40 35 ar 65 40 76 1 66 31 9 2 67 38 75 1 68 38 74 1 69 12 16 1 70 12 19 1 71 16 17 1 72 34 5 1 73 34 3 1 74 34 4 1 75 35 70 1 76 50 19 1 77 19 51 1 78 19 18 1 79 17 47 1 80 17 46 1 81 17 18 1 82 18 48 1 83 18 49 1