@MOLECULE (6r,8s,11s)-11-cyclohexyl-n-{(3s)-1-[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide 113 117 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4456 -3.3922 1.4424 C.3 1 UNL1111111111 -0.3488 2 C -5.1897 -3.6654 0.1311 C.3 1 UNL1111111111 -0.2772 3 C -6.6091 -3.1818 0.1887 C.ar 1 UNL1111111111 0.0636 4 C -6.9395 -1.9402 -0.3548 C.ar 1 UNL1111111111 -0.3410 5 C -7.5962 -3.9840 0.7601 C.ar 1 UNL1111111111 -0.2511 6 C -8.2744 -1.5436 -0.3687 C.ar 1 UNL1111111111 0.2772 7 C -8.9265 -3.5581 0.7635 C.ar 1 UNL1111111111 -0.0740 8 C -9.2830 -2.3437 0.1960 C.ar 1 UNL1111111111 -0.2608 9 C -3.7957 -2.0224 1.4294 C.2 1 UNL1111111111 0.6089 10 O -2.6027 -1.8802 1.2471 O.2 1 UNL1111111111 -0.5607 11 O -8.7615 -0.4074 -0.9292 O.3 1 UNL1111111111 -0.3423 12 C -7.8531 0.6132 -1.3234 C.3 1 UNL1111111111 -0.0886 13 C -7.2719 0.3234 -2.7099 C.3 1 UNL1111111111 -0.0709 14 O -6.0105 -0.2955 -2.5707 O.3 1 UNL1111111111 -0.4299 15 N -4.6436 -0.9613 1.6719 N.am 1 UNL1111111111 -0.6156 16 C -4.2528 0.4398 1.8167 C.3 1 UNL1111111111 0.0066 17 C -2.8061 0.7006 2.2852 C.3 1 UNL1111111111 -0.1118 18 C -2.5406 2.2165 2.2896 C.3 1 UNL1111111111 -0.2997 19 C -2.6273 0.1306 3.7068 C.3 1 UNL1111111111 -0.2593 20 C -1.1417 2.5179 2.8404 C.3 1 UNL1111111111 -0.2585 21 C -1.2235 0.4391 4.2394 C.3 1 UNL1111111111 -0.2675 22 C -0.9800 1.9523 4.2563 C.3 1 UNL1111111111 -0.2617 23 C -4.6591 1.2179 0.5427 C.2 1 UNL1111111111 0.5368 24 O -5.6181 1.9651 0.6509 O.2 1 UNL1111111111 -0.5511 25 N -3.9888 1.2024 -0.6681 N.am 1 UNL1111111111 -0.4689 26 C -4.7247 1.7048 -1.8544 C.3 1 UNL1111111111 -0.1364 27 C -3.0556 0.1725 -1.1466 C.3 1 UNL1111111111 -0.0139 28 C -3.7148 -0.4702 -2.3879 C.3 1 UNL1111111111 -0.3123 29 C -4.8561 0.4885 -2.7999 C.3 1 UNL1111111111 0.1113 30 C -1.7845 0.9263 -1.5983 C.2 1 UNL1111111111 0.5688 31 O -1.6101 1.2868 -2.7440 O.2 1 UNL1111111111 -0.5410 32 N -0.8455 1.1504 -0.6194 N.am 1 UNL1111111111 -0.5886 33 C 0.3244 1.9728 -0.9177 C.3 1 UNL1111111111 0.0070 34 C 0.1689 3.4352 -0.4495 C.3 1 UNL1111111111 -0.3028 35 C -0.9963 4.1226 -1.1689 C.3 1 UNL1111111111 -0.2384 36 C -1.1640 5.5567 -0.6713 C.3 1 UNL1111111111 -0.4416 37 O 1.4294 0.8300 0.8921 O.2 1 UNL1111111111 -0.3793 38 C 1.5094 1.3757 -0.1729 C.2 1 UNL1111111111 0.3572 39 O 3.2306 2.6337 -1.2699 O.2 1 UNL1111111111 -0.5066 40 N 3.5661 0.3941 -1.0550 N.am 1 UNL1111111111 -0.5382 41 C 4.8998 0.4456 -1.6515 C.3 1 UNL1111111111 -0.1524 42 C 5.8373 -0.3883 -0.7777 C.2 1 UNL1111111111 0.5633 43 O 5.4475 -1.3851 -0.1996 O.2 1 UNL1111111111 -0.5456 44 C 2.8614 1.5511 -0.8661 C.2 1 UNL1111111111 0.4730 45 N 7.1429 0.0258 -0.7060 N.am 1 UNL1111111111 -0.5726 46 C 8.0871 -0.7159 0.1327 C.3 1 UNL1111111111 -0.0040 47 C 9.0360 -1.5263 -0.7188 C.ar 1 UNL1111111111 -0.0521 48 C 10.0226 -0.8931 -1.4761 C.ar 1 UNL1111111111 -0.1440 49 C 8.9147 -2.9158 -0.7457 C.ar 1 UNL1111111111 -0.1463 50 C 10.9005 -1.6528 -2.2450 C.ar 1 UNL1111111111 -0.1477 51 C 9.7963 -3.6726 -1.5145 C.ar 1 UNL1111111111 -0.1490 52 C 10.7911 -3.0426 -2.2604 C.ar 1 UNL1111111111 -0.1387 53 C 8.9094 0.3181 0.9302 C.2 1 UNL1111111111 0.5407 54 O 9.0643 1.4446 0.4908 O.2 1 UNL1111111111 -0.5566 55 N 9.4225 -0.0504 2.1446 N.am 1 UNL1111111111 -0.4436 56 C 10.3030 0.8780 2.8567 C.3 1 UNL1111111111 -0.2275 57 C 9.4203 -1.4373 2.6071 C.3 1 UNL1111111111 -0.2389 58 H -3.6417 -4.1482 1.5861 H 1 UNL1111111111 0.1791 59 H -5.1213 -3.5099 2.3121 H 1 UNL1111111111 0.1690 60 H -4.6481 -3.2079 -0.7243 H 1 UNL1111111111 0.1610 61 H -5.1738 -4.7557 -0.0857 H 1 UNL1111111111 0.1604 62 H -6.1640 -1.3165 -0.7972 H 1 UNL1111111111 0.1965 63 H -7.3373 -4.9454 1.1928 H 1 UNL1111111111 0.1537 64 H -9.6929 -4.1907 1.2108 H 1 UNL1111111111 0.1468 65 H -10.3146 -2.0044 0.1744 H 1 UNL1111111111 0.1717 66 H -8.5242 1.4956 -1.3264 H 1 UNL1111111111 0.1551 67 H -7.0730 0.7617 -0.5552 H 1 UNL1111111111 0.1671 68 H -7.8715 -0.4539 -3.2308 H 1 UNL1111111111 0.1611 69 H -7.2265 1.2235 -3.3413 H 1 UNL1111111111 0.1282 70 H -5.6493 -1.1251 1.6922 H 1 UNL1111111111 0.3290 71 H -4.9327 0.8679 2.6277 H 1 UNL1111111111 0.1810 72 H -2.0759 0.1923 1.6122 H 1 UNL1111111111 0.1615 73 H -2.6401 2.6361 1.2697 H 1 UNL1111111111 0.1451 74 H -3.3026 2.7361 2.9016 H 1 UNL1111111111 0.1499 75 H -3.3883 0.5520 4.3885 H 1 UNL1111111111 0.1339 76 H -2.7865 -0.9645 3.6937 H 1 UNL1111111111 0.1423 77 H -0.3648 2.0785 2.1825 H 1 UNL1111111111 0.1448 78 H -0.9668 3.6096 2.8441 H 1 UNL1111111111 0.1308 79 H -0.4610 -0.0606 3.6098 H 1 UNL1111111111 0.1489 80 H -1.1007 0.0182 5.2530 H 1 UNL1111111111 0.1275 81 H 0.0325 2.1719 4.6401 H 1 UNL1111111111 0.1305 82 H -1.6861 2.4455 4.9486 H 1 UNL1111111111 0.1340 83 H -4.1115 2.5049 -2.3278 H 1 UNL1111111111 0.1623 84 H -5.6966 2.1596 -1.5805 H 1 UNL1111111111 0.1755 85 H -2.8073 -0.5852 -0.3660 H 1 UNL1111111111 0.1956 86 H -2.9944 -0.6084 -3.2140 H 1 UNL1111111111 0.1783 87 H -4.1173 -1.4743 -2.1576 H 1 UNL1111111111 0.1675 88 H -4.8310 0.7768 -3.8671 H 1 UNL1111111111 0.1317 89 H -1.0127 0.9027 0.3516 H 1 UNL1111111111 0.3348 90 H 0.5081 1.9616 -2.0332 H 1 UNL1111111111 0.1975 91 H 1.1141 3.9831 -0.6532 H 1 UNL1111111111 0.1680 92 H 0.0172 3.4817 0.6452 H 1 UNL1111111111 0.1533 93 H -1.9360 3.5565 -1.0099 H 1 UNL1111111111 0.1455 94 H -0.8291 4.1109 -2.2639 H 1 UNL1111111111 0.1451 95 H -0.2612 6.1522 -0.8468 H 1 UNL1111111111 0.1436 96 H -1.9926 6.0580 -1.1838 H 1 UNL1111111111 0.1404 97 H -1.3788 5.5875 0.4029 H 1 UNL1111111111 0.1430 98 H 3.3160 -0.4816 -0.5989 H 1 UNL1111111111 0.3441 99 H 4.8703 0.0026 -2.6786 H 1 UNL1111111111 0.1741 100 H 5.2424 1.5031 -1.7684 H 1 UNL1111111111 0.1912 101 H 7.4875 0.8918 -1.1050 H 1 UNL1111111111 0.3401 102 H 7.5034 -1.3857 0.8311 H 1 UNL1111111111 0.1950 103 H 10.1094 0.1957 -1.4626 H 1 UNL1111111111 0.1713 104 H 8.1241 -3.4101 -0.1809 H 1 UNL1111111111 0.1616 105 H 11.6721 -1.1598 -2.8338 H 1 UNL1111111111 0.1538 106 H 9.7040 -4.7568 -1.5359 H 1 UNL1111111111 0.1512 107 H 11.4804 -3.6355 -2.8585 H 1 UNL1111111111 0.1493 108 H 10.1789 1.9082 2.4627 H 1 UNL1111111111 0.1796 109 H 10.0447 0.8973 3.9291 H 1 UNL1111111111 0.1444 110 H 11.3639 0.6002 2.7404 H 1 UNL1111111111 0.1374 111 H 9.8368 -2.1243 1.8469 H 1 UNL1111111111 0.1486 112 H 10.0245 -1.5518 3.5232 H 1 UNL1111111111 0.1560 113 H 8.3892 -1.7582 2.8512 H 1 UNL1111111111 0.1542 @BOND 1 1 2 1 2 1 9 1 3 1 58 1 4 1 59 1 5 2 3 1 6 2 60 1 7 2 61 1 8 3 4 ar 9 3 5 ar 10 4 6 ar 11 4 62 1 12 5 7 ar 13 5 63 1 14 6 8 ar 15 6 11 1 16 7 8 ar 17 7 64 1 18 8 65 1 19 9 10 2 20 9 15 am 21 11 12 1 22 12 13 1 23 12 66 1 24 12 67 1 25 13 14 1 26 13 68 1 27 13 69 1 28 14 29 1 29 15 16 1 30 15 70 1 31 16 17 1 32 16 23 1 33 16 71 1 34 17 18 1 35 17 19 1 36 17 72 1 37 18 20 1 38 18 73 1 39 18 74 1 40 19 21 1 41 19 75 1 42 19 76 1 43 20 22 1 44 20 77 1 45 20 78 1 46 21 22 1 47 21 79 1 48 21 80 1 49 22 81 1 50 22 82 1 51 23 24 2 52 23 25 am 53 25 26 1 54 25 27 1 55 26 29 1 56 26 83 1 57 26 84 1 58 27 28 1 59 27 30 1 60 27 85 1 61 28 29 1 62 28 86 1 63 28 87 1 64 29 88 1 65 30 31 2 66 30 32 am 67 32 33 1 68 32 89 1 69 33 34 1 70 33 38 1 71 33 90 1 72 34 35 1 73 34 91 1 74 34 92 1 75 35 36 1 76 35 93 1 77 35 94 1 78 36 95 1 79 36 96 1 80 36 97 1 81 37 38 2 82 38 44 1 83 39 44 2 84 40 41 1 85 40 44 am 86 40 98 1 87 41 42 1 88 41 99 1 89 41 100 1 90 42 43 2 91 42 45 am 92 45 46 1 93 45 101 1 94 46 47 1 95 46 53 1 96 46 102 1 97 47 48 ar 98 47 49 ar 99 48 50 ar 100 48 103 1 101 49 51 ar 102 49 104 1 103 50 52 ar 104 50 105 1 105 51 52 ar 106 51 106 1 107 52 107 1 108 53 54 2 109 53 55 am 110 55 56 1 111 55 57 1 112 56 108 1 113 56 109 1 114 56 110 1 115 57 111 1 116 57 112 1 117 57 113 1