@MOLECULE 1-[(4as,5r,7s,8ar)-5-{[(1s,2r,5s,9s,11r,13s,17r)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0~2,7~.0~13,17~]heptadec-6-en-5-yl]methyl}-7-methyloctahydro-1(2h)-quinolinyl]ethanone 77 82 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.5590 -2.6361 0.8031 O.2 1 UNL111111 -0.8619 2 N 4.5927 -0.1646 -0.7680 N.3 1 UNL111111 -0.4200 3 N 0.7116 1.7690 1.5251 N.2 1 UNL111111 -0.4908 4 N -3.6941 -1.5355 -1.0481 N.am 1 UNL111111 -0.4945 5 C 2.2756 -1.0673 -0.8377 C.3 1 UNL111111 -0.1263 6 C 1.9415 -1.0148 0.6670 C.3 1 UNL111111 -0.0695 7 C 3.7712 -1.3473 -1.1418 C.3 1 UNL111111 0.0408 8 C 2.7338 1.3966 -1.4604 C.3 1 UNL111111 -0.1059 9 C 1.8017 0.1846 -1.5895 C.3 1 UNL111111 -0.2928 10 C 2.4814 2.2436 -0.1853 C.3 1 UNL111111 -0.1894 11 C 2.4374 -2.3002 1.3551 C.3 1 UNL111111 -0.3016 12 C 4.1981 -2.6312 -0.3997 C.3 1 UNL111111 -0.3099 13 C 2.5108 0.2189 1.3854 C.3 1 UNL111111 -0.3315 14 C 4.2189 0.9918 -1.6188 C.3 1 UNL111111 -0.1313 15 C 3.9371 -2.5248 1.1098 C.3 1 UNL111111 -0.0700 16 C 1.8012 1.4594 0.9169 C.2 1 UNL111111 0.2654 17 C 1.6849 3.5089 -0.5781 C.3 1 UNL111111 -0.2740 18 C -1.9864 1.3790 0.6336 C.3 1 UNL111111 -0.1376 19 C -2.5650 0.6138 -0.5778 C.3 1 UNL111111 -0.1594 20 C -0.0527 2.9561 1.1622 C.3 1 UNL111111 0.0510 21 C 0.8520 4.0623 0.5800 C.3 1 UNL111111 -0.3244 22 C -1.1683 2.5823 0.1560 C.3 1 UNL111111 -0.3026 23 C -3.3367 -0.5906 -0.0087 C.3 1 UNL111111 0.1008 24 C -3.0603 1.7978 1.6562 C.3 1 UNL111111 -0.2182 25 C -3.9117 0.5879 2.1098 C.3 1 UNL111111 -0.5554 26 C -4.5392 -0.0645 0.8436 C.3 1 UNL111111 -0.3514 27 C -3.4607 1.4339 -1.5212 C.3 1 UNL111111 -0.2657 28 C 4.4086 -3.7984 1.8198 C.3 1 UNL111111 -0.4613 29 C 6.0442 -0.4214 -0.9062 C.3 1 UNL111111 -0.2806 30 C -4.5366 0.5693 -2.2086 C.3 1 UNL111111 -0.3054 31 C -4.1481 -0.9196 -2.3097 C.3 1 UNL111111 -0.0884 32 C -3.1825 -0.5560 2.5506 C.3 1 UNL111111 0.9143 33 C -4.4897 -2.6329 -0.4823 C.2 1 UNL111111 0.1538 34 C -5.0072 -3.5979 -1.2517 C.3 1 UNL111111 0.0182 35 H 1.7026 -1.9415 -1.2529 H 1 UNL111111 0.1444 36 H 0.8247 -0.9794 0.7661 H 1 UNL111111 0.1430 37 H 3.8648 -1.5474 -2.2451 H 1 UNL111111 0.1061 38 H 2.5189 2.0634 -2.3415 H 1 UNL111111 0.1324 39 H 0.7825 0.4583 -1.2498 H 1 UNL111111 0.1510 40 H 1.6965 -0.0702 -2.6641 H 1 UNL111111 0.1397 41 H 3.4700 2.5692 0.2322 H 1 UNL111111 0.1612 42 H 2.2347 -2.2489 2.4399 H 1 UNL111111 0.1364 43 H 1.8592 -3.1667 0.9814 H 1 UNL111111 0.1460 44 H 5.2603 -2.8599 -0.5901 H 1 UNL111111 0.1356 45 H 3.6345 -3.4876 -0.8183 H 1 UNL111111 0.1427 46 H 3.6052 0.2982 1.2003 H 1 UNL111111 0.1938 47 H 2.3956 0.1019 2.4819 H 1 UNL111111 0.1560 48 H 4.4172 0.7927 -2.6966 H 1 UNL111111 0.1156 49 H 4.8639 1.8495 -1.3301 H 1 UNL111111 0.1363 50 H 4.5073 -1.6508 1.5099 H 1 UNL111111 0.1460 51 H 1.0147 3.2871 -1.4327 H 1 UNL111111 0.1439 52 H 2.3852 4.2838 -0.9422 H 1 UNL111111 0.1382 53 H -1.2786 0.6724 1.1568 H 1 UNL111111 0.1641 54 H -1.7060 0.2183 -1.1813 H 1 UNL111111 0.1616 55 H -0.5214 3.3213 2.1139 H 1 UNL111111 0.1348 56 H 1.5140 4.4491 1.3774 H 1 UNL111111 0.1475 57 H 0.2447 4.9200 0.2431 H 1 UNL111111 0.1432 58 H -0.7032 2.3319 -0.8211 H 1 UNL111111 0.1581 59 H -1.8147 3.4565 -0.0326 H 1 UNL111111 0.1413 60 H -2.6295 -1.1964 0.6611 H 1 UNL111111 0.1308 61 H -3.7354 2.5539 1.2042 H 1 UNL111111 0.1619 62 H -2.5880 2.2896 2.5281 H 1 UNL111111 0.1493 63 H -4.7145 0.9418 2.8030 H 1 UNL111111 0.2290 64 H -5.2266 -0.9271 1.0864 H 1 UNL111111 0.2470 65 H -5.1670 0.6460 0.2918 H 1 UNL111111 0.1764 66 H -2.8356 1.9230 -2.2915 H 1 UNL111111 0.1375 67 H -3.9497 2.2590 -0.9724 H 1 UNL111111 0.1284 68 H 4.2416 -3.7342 2.9001 H 1 UNL111111 0.1420 69 H 3.8770 -4.6839 1.4553 H 1 UNL111111 0.1455 70 H 5.4789 -3.9679 1.6633 H 1 UNL111111 0.1399 71 H 6.3524 -1.1283 -0.1168 H 1 UNL111111 0.1504 72 H 6.6027 0.5123 -0.7271 H 1 UNL111111 0.1421 73 H 6.3450 -0.8279 -1.8823 H 1 UNL111111 0.1182 74 H -5.4962 0.6545 -1.6682 H 1 UNL111111 0.1365 75 H -4.7347 0.9600 -3.2229 H 1 UNL111111 0.1420 76 H -5.0002 -1.4983 -2.7316 H 1 UNL111111 0.1412 77 H -3.2972 -1.0303 -3.0241 H 1 UNL111111 0.1381 @BOND 1 75 30 1 2 77 31 1 3 76 31 1 4 48 14 1 5 40 9 1 6 38 8 1 7 31 30 1 8 31 4 1 9 66 27 1 10 37 7 1 11 30 74 1 12 30 27 1 13 73 29 1 14 14 8 1 15 14 49 1 16 14 2 1 17 9 8 1 18 9 39 1 19 9 5 1 20 27 67 1 21 27 19 1 22 8 10 1 23 51 17 1 24 35 5 1 25 34 33 1 26 54 19 1 27 7 5 1 28 7 2 1 29 7 12 1 30 4 33 am 31 4 23 1 32 52 17 1 33 29 2 1 34 29 72 1 35 29 71 1 36 5 6 1 37 58 22 1 38 45 12 1 39 44 12 1 40 19 23 1 41 19 18 1 42 17 10 1 43 17 21 1 44 33 1 2 45 12 15 1 46 10 41 1 47 10 16 1 48 23 60 1 49 23 26 1 50 59 22 1 51 22 18 1 52 22 20 1 53 57 21 1 54 65 26 1 55 21 20 1 56 21 56 1 57 18 53 1 58 18 24 1 59 6 36 1 60 6 11 1 61 6 13 1 62 26 64 1 63 26 25 1 64 16 13 1 65 16 3 2 66 43 11 1 67 15 11 1 68 15 50 1 69 15 28 1 70 20 3 1 71 20 55 1 72 46 13 1 73 61 24 1 74 11 42 1 75 13 47 1 76 69 28 1 77 70 28 1 78 24 25 1 79 24 62 1 80 28 68 1 81 25 32 1 82 25 63 1