@MOLECULE 2-methyl-2-propanyl {(1s)-1-cyclohexyl-2-[(1r,3s,4s)-3-({(3s)-1-[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-heptanyl}carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl}carbamate 111 114 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.4757 -2.2251 0.1674 C.2 1 UNL1111111111 0.7533 2 O 1.3907 -1.5736 1.1886 O.2 1 UNL1111111111 -0.5892 3 O 0.5059 -3.0111 -0.3682 O.3 1 UNL1111111111 -0.4718 4 C -0.5416 -3.5037 0.5024 C.3 1 UNL1111111111 0.3867 5 C -1.4554 -2.3524 0.8891 C.3 1 UNL1111111111 -0.5175 6 C -1.2434 -4.4999 -0.4262 C.3 1 UNL1111111111 -0.4848 7 C 0.0855 -4.1897 1.7122 C.3 1 UNL1111111111 -0.5155 8 N 2.5924 -2.2939 -0.6356 N.am 1 UNL1111111111 -0.5829 9 C 3.7805 -1.5328 -0.2786 C.3 1 UNL1111111111 -0.0076 10 C 4.9635 -2.4308 0.1832 C.3 1 UNL1111111111 -0.1171 11 C 4.6684 -3.0224 1.5705 C.3 1 UNL1111111111 -0.2643 12 C 5.8716 -3.8410 2.0576 C.3 1 UNL1111111111 -0.2603 13 C 6.2139 -4.9544 1.0579 C.3 1 UNL1111111111 -0.2660 14 C 6.4776 -4.3664 -0.3352 C.3 1 UNL1111111111 -0.2606 15 C 5.2619 -3.5619 -0.8122 C.3 1 UNL1111111111 -0.2740 16 C 4.2479 -0.7741 -1.5317 C.2 1 UNL1111111111 0.5457 17 O 4.1440 -1.2396 -2.6471 O.2 1 UNL1111111111 -0.5155 18 C 4.0214 1.7255 0.7181 C.2 1 UNL1111111111 0.5489 19 O 4.1894 2.0410 1.8793 O.2 1 UNL1111111111 -0.5383 20 N 4.7370 0.5063 -1.3640 N.am 1 UNL1111111111 -0.5442 21 C 5.1784 1.1040 -0.0815 C.3 1 UNL1111111111 -0.0188 22 C 6.1674 2.2220 -0.5574 C.3 1 UNL1111111111 -0.0959 23 C 7.4461 1.5021 -1.0644 C.3 1 UNL1111111111 -0.2754 24 C 6.9714 0.7967 -2.3652 C.3 1 UNL1111111111 -0.3111 25 C 5.4684 1.2029 -2.4600 C.3 1 UNL1111111111 0.1233 26 C 5.5073 2.6555 -1.8966 C.3 1 UNL1111111111 -0.3188 27 N 2.8324 1.9054 0.0642 N.am 1 UNL1111111111 -0.5752 28 C 1.6586 2.4444 0.7530 C.3 1 UNL1111111111 0.0233 29 C 1.5592 3.9765 0.5912 C.3 1 UNL1111111111 -0.3013 30 C 2.7063 4.6678 1.3332 C.3 1 UNL1111111111 -0.2595 31 C 2.4455 6.1722 1.4655 C.3 1 UNL1111111111 -0.2530 32 C 3.6240 6.8625 2.1529 C.3 1 UNL1111111111 -0.4427 33 O 0.4361 1.2464 -0.9315 O.2 1 UNL1111111111 -0.3892 34 C 0.4219 1.8141 0.1278 C.2 1 UNL1111111111 0.3599 35 O -1.0974 2.8849 1.6691 O.2 1 UNL1111111111 -0.5196 36 N -1.8291 1.0183 0.6140 N.am 1 UNL1111111111 -0.5307 37 C -3.1416 1.0734 1.2548 C.3 1 UNL1111111111 -0.1447 38 C -4.1301 0.3183 0.3691 C.2 1 UNL1111111111 0.5707 39 O -3.7941 -0.6503 -0.2852 O.2 1 UNL1111111111 -0.5480 40 C -0.8949 1.9708 0.8954 C.2 1 UNL1111111111 0.4771 41 N -5.4381 0.7406 0.3996 N.am 1 UNL1111111111 -0.5675 42 C -6.4167 0.0827 -0.4701 C.3 1 UNL1111111111 -0.0080 43 C -7.5162 -0.5308 0.3624 C.ar 1 UNL1111111111 -0.0480 44 C -8.4870 0.2741 0.9599 C.ar 1 UNL1111111111 -0.1502 45 C -9.4989 -0.3071 1.7200 C.ar 1 UNL1111111111 -0.1444 46 C -9.5404 -1.6906 1.8865 C.ar 1 UNL1111111111 -0.1392 47 C -8.5628 -2.4926 1.2994 C.ar 1 UNL1111111111 -0.1478 48 C -7.5465 -1.9143 0.5420 C.ar 1 UNL1111111111 -0.1465 49 C -7.0156 1.1551 -1.4036 C.2 1 UNL1111111111 0.5349 50 O -6.9699 2.3299 -1.0866 O.2 1 UNL1111111111 -0.5485 51 N -7.5216 0.7646 -2.6205 N.am 1 UNL1111111111 -0.4401 52 C -8.1696 1.7838 -3.4545 C.3 1 UNL1111111111 -0.2335 53 C -7.9340 -0.6138 -2.8864 C.3 1 UNL1111111111 -0.2386 54 H -1.8506 -1.8470 -0.0056 H 1 UNL1111111111 0.1772 55 H -2.3183 -2.6981 1.4662 H 1 UNL1111111111 0.1553 56 H -0.9208 -1.6083 1.4977 H 1 UNL1111111111 0.1782 57 H -0.5814 -5.3290 -0.7005 H 1 UNL1111111111 0.1575 58 H -2.1363 -4.9135 0.0512 H 1 UNL1111111111 0.1522 59 H -1.5553 -4.0105 -1.3592 H 1 UNL1111111111 0.1674 60 H 0.5166 -3.4527 2.4073 H 1 UNL1111111111 0.1789 61 H -0.6558 -4.7687 2.2705 H 1 UNL1111111111 0.1536 62 H 0.8909 -4.8704 1.4146 H 1 UNL1111111111 0.1580 63 H 2.5905 -2.7822 -1.5223 H 1 UNL1111111111 0.3430 64 H 3.5181 -0.8196 0.5572 H 1 UNL1111111111 0.1927 65 H 5.8709 -1.7820 0.2612 H 1 UNL1111111111 0.1344 66 H 4.4345 -2.2207 2.2960 H 1 UNL1111111111 0.1436 67 H 3.7648 -3.6599 1.5260 H 1 UNL1111111111 0.1484 68 H 6.7473 -3.1818 2.2019 H 1 UNL1111111111 0.1332 69 H 5.6531 -4.2767 3.0495 H 1 UNL1111111111 0.1277 70 H 7.0954 -5.5210 1.4058 H 1 UNL1111111111 0.1235 71 H 5.3848 -5.6844 1.0080 H 1 UNL1111111111 0.1363 72 H 7.3767 -3.7238 -0.3113 H 1 UNL1111111111 0.1315 73 H 6.7012 -5.1742 -1.0539 H 1 UNL1111111111 0.1296 74 H 4.3865 -4.2316 -0.9073 H 1 UNL1111111111 0.1472 75 H 5.4431 -3.1544 -1.8252 H 1 UNL1111111111 0.1486 76 H 5.6916 0.3627 0.5778 H 1 UNL1111111111 0.1658 77 H 6.3391 3.0059 0.1844 H 1 UNL1111111111 0.1560 78 H 8.2499 2.2243 -1.2674 H 1 UNL1111111111 0.1388 79 H 7.8451 0.7922 -0.3277 H 1 UNL1111111111 0.1419 80 H 7.5279 1.1389 -3.2473 H 1 UNL1111111111 0.1418 81 H 7.0942 -0.2943 -2.3208 H 1 UNL1111111111 0.1525 82 H 4.9908 1.0370 -3.4365 H 1 UNL1111111111 0.1622 83 H 4.5209 3.1190 -1.7826 H 1 UNL1111111111 0.1563 84 H 6.1231 3.3365 -2.4918 H 1 UNL1111111111 0.1523 85 H 2.7102 1.6050 -0.8989 H 1 UNL1111111111 0.3425 86 H 1.7142 2.1849 1.8516 H 1 UNL1111111111 0.1989 87 H 0.5849 4.3272 0.9987 H 1 UNL1111111111 0.1735 88 H 1.5681 4.2575 -0.4772 H 1 UNL1111111111 0.1460 89 H 3.6637 4.4888 0.8096 H 1 UNL1111111111 0.1400 90 H 2.8423 4.2154 2.3371 H 1 UNL1111111111 0.1591 91 H 1.5186 6.3462 2.0455 H 1 UNL1111111111 0.1375 92 H 2.2706 6.6203 0.4700 H 1 UNL1111111111 0.1301 93 H 3.8299 6.4160 3.1331 H 1 UNL1111111111 0.1461 94 H 4.5393 6.7804 1.5574 H 1 UNL1111111111 0.1399 95 H 3.4256 7.9275 2.3108 H 1 UNL1111111111 0.1374 96 H -1.6427 0.2306 -0.0069 H 1 UNL1111111111 0.3517 97 H -3.1068 0.5866 2.2620 H 1 UNL1111111111 0.1734 98 H -3.4413 2.1365 1.4304 H 1 UNL1111111111 0.1851 99 H -5.7331 1.6136 0.8198 H 1 UNL1111111111 0.3350 100 H -5.8877 -0.7069 -1.0848 H 1 UNL1111111111 0.2009 101 H -8.4564 1.3578 0.8308 H 1 UNL1111111111 0.1694 102 H -10.2569 0.3213 2.1851 H 1 UNL1111111111 0.1545 103 H -10.3345 -2.1438 2.4767 H 1 UNL1111111111 0.1497 104 H -8.5899 -3.5719 1.4366 H 1 UNL1111111111 0.1505 105 H -6.7737 -2.5433 0.1009 H 1 UNL1111111111 0.1600 106 H -7.7986 2.7946 -3.1866 H 1 UNL1111111111 0.1791 107 H -7.9204 1.6078 -4.5145 H 1 UNL1111111111 0.1463 108 H -9.2645 1.7838 -3.3310 H 1 UNL1111111111 0.1359 109 H -7.1370 -1.3258 -2.6075 H 1 UNL1111111111 0.1530 110 H -8.8543 -0.8849 -2.3374 H 1 UNL1111111111 0.1430 111 H -8.1228 -0.7524 -3.9661 H 1 UNL1111111111 0.1578 @BOND 1 1 2 2 2 1 3 1 3 1 8 am 4 3 4 1 5 4 5 1 6 4 6 1 7 4 7 1 8 5 54 1 9 5 55 1 10 5 56 1 11 6 57 1 12 6 58 1 13 6 59 1 14 7 60 1 15 7 61 1 16 7 62 1 17 8 9 1 18 8 63 1 19 9 10 1 20 9 16 1 21 9 64 1 22 10 11 1 23 10 15 1 24 10 65 1 25 11 12 1 26 11 66 1 27 11 67 1 28 12 13 1 29 12 68 1 30 12 69 1 31 13 14 1 32 13 70 1 33 13 71 1 34 14 15 1 35 14 72 1 36 14 73 1 37 15 74 1 38 15 75 1 39 16 17 2 40 16 20 am 41 18 19 2 42 18 21 1 43 18 27 am 44 20 21 1 45 20 25 1 46 21 22 1 47 21 76 1 48 22 23 1 49 22 26 1 50 22 77 1 51 23 24 1 52 23 78 1 53 23 79 1 54 24 25 1 55 24 80 1 56 24 81 1 57 25 26 1 58 25 82 1 59 26 83 1 60 26 84 1 61 27 28 1 62 27 85 1 63 28 29 1 64 28 34 1 65 28 86 1 66 29 30 1 67 29 87 1 68 29 88 1 69 30 31 1 70 30 89 1 71 30 90 1 72 31 32 1 73 31 91 1 74 31 92 1 75 32 93 1 76 32 94 1 77 32 95 1 78 33 34 2 79 34 40 1 80 35 40 2 81 36 37 1 82 36 40 am 83 36 96 1 84 37 38 1 85 37 97 1 86 37 98 1 87 38 39 2 88 38 41 am 89 41 42 1 90 41 99 1 91 42 43 1 92 42 49 1 93 42 100 1 94 43 44 ar 95 43 48 ar 96 44 45 ar 97 44 101 1 98 45 46 ar 99 45 102 1 100 46 47 ar 101 46 103 1 102 47 48 ar 103 47 104 1 104 48 105 1 105 49 50 2 106 49 51 am 107 51 52 1 108 51 53 1 109 52 106 1 110 52 107 1 111 52 108 1 112 53 109 1 113 53 110 1 114 53 111 1