@MOLECULE (5alpha,18r)-17-(cyclopropylmethyl)-18-[(2s)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol 75 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7858 0.1683 0.7663 C.3 1 UNL1 0.0102 2 C -1.0281 0.7799 -0.6296 C.3 1 UNL1 0.0456 3 C 0.5209 0.6976 1.4239 C.3 1 UNL1 0.0185 4 C -2.2771 0.0279 -1.1921 C.3 1 UNL1 0.0445 5 C 1.1325 1.7217 0.4511 C.3 1 UNL1 0.2383 6 C 1.4959 1.1919 -0.9624 C.3 1 UNL1 -0.1833 7 C 2.6940 0.2179 -1.2409 C.3 1 UNL1 0.3128 8 C -0.5171 -3.3990 -0.4889 C.ar 1 UNL1 -0.2050 9 C 0.6365 -3.7571 0.2155 C.ar 1 UNL1 -0.1797 10 C -4.7245 0.0329 -0.9329 C.3 1 UNL1 -0.1056 11 C 2.2602 2.9128 2.2215 C.3 1 UNL1 -0.2031 12 C 2.8173 0.1298 -2.7878 C.3 1 UNL1 -0.5229 13 C 4.1302 0.1487 0.8732 C.3 1 UNL1 -0.4444 14 C 5.1672 -0.3803 -1.2911 C.3 1 UNL1 -0.4611 15 C 4.5023 1.9797 -0.8427 C.3 1 UNL1 -0.4718 16 H 3.0959 -2.3769 1.6259 H 1 UNL1 0.3402 17 H 1.6382 -1.4730 -1.1939 H 1 UNL1 0.3186 18 C 1.3284 -2.8213 0.9951 C.ar 1 UNL1 0.1927 19 C -7.2558 0.5809 -0.6416 C.3 1 UNL1 -0.3332 20 C -6.7545 0.1904 0.7285 C.3 1 UNL1 -0.3302 21 O 2.5119 -3.1870 1.5519 O.3 1 UNL1 -0.4578 22 O 2.4219 -1.0785 -0.7585 O.3 1 UNL1 -0.5753 23 O 2.3019 2.3408 0.9293 O.3 1 UNL1 -0.3897 24 C -5.8165 0.8473 -0.2619 C.3 1 UNL1 -0.1414 25 C 0.7771 -1.5470 1.1381 C.ar 1 UNL1 0.1234 26 O 1.3657 -0.4510 1.7096 O.3 1 UNL1 -0.2896 27 C 4.1012 0.5181 -0.6160 C.3 1 UNL1 0.1181 28 C -1.9913 0.3564 1.6904 C.3 1 UNL1 -0.2824 29 C 0.1926 0.5832 -1.5568 C.3 1 UNL1 -0.3025 30 C -1.1947 2.2987 -0.4829 C.3 1 UNL1 -0.2783 31 C -3.2854 -0.1614 1.0387 C.3 1 UNL1 -0.1005 32 C -2.0680 -1.5281 -1.3124 C.3 1 UNL1 -0.3262 33 C 0.0406 2.8362 0.2591 C.3 1 UNL1 -0.3334 34 C -1.0434 -2.1060 -0.3861 C.ar 1 UNL1 0.0016 35 N -3.4212 0.3971 -0.3272 N.3 1 UNL1 -0.4507 36 C -0.4439 -1.2612 0.5294 C.ar 1 UNL1 -0.1360 37 H 0.3644 1.1284 2.4315 H 1 UNL1 0.1460 38 H -2.4882 0.4257 -2.2162 H 1 UNL1 0.1325 39 H 1.7578 2.1149 -1.5469 H 1 UNL1 0.1552 40 H -1.8247 -0.1796 2.6446 H 1 UNL1 0.1490 41 H -2.1067 1.4283 1.9423 H 1 UNL1 0.1495 42 H 0.3221 -0.4927 -1.7746 H 1 UNL1 0.1476 43 H -0.0196 1.0579 -2.5327 H 1 UNL1 0.1412 44 H -1.3085 2.7763 -1.4703 H 1 UNL1 0.1386 45 H -2.1287 2.5394 0.0601 H 1 UNL1 0.1643 46 H -3.2898 -1.2738 1.0471 H 1 UNL1 0.1261 47 H -4.1628 0.1730 1.6352 H 1 UNL1 0.1412 48 H -3.0417 -2.0355 -1.1668 H 1 UNL1 0.1556 49 H -1.7739 -1.7578 -2.3569 H 1 UNL1 0.1517 50 H -0.2551 3.2389 1.2414 H 1 UNL1 0.1376 51 H 0.4926 3.6787 -0.2908 H 1 UNL1 0.1497 52 H -0.9866 -4.1246 -1.1464 H 1 UNL1 0.1549 53 H -4.9440 -1.0551 -0.8722 H 1 UNL1 0.1193 54 H -4.6997 0.2952 -2.0161 H 1 UNL1 0.1418 55 H 1.4876 3.6801 2.3057 H 1 UNL1 0.1186 56 H 2.1426 2.1414 2.9896 H 1 UNL1 0.1299 57 H 3.2558 3.3704 2.3042 H 1 UNL1 0.1461 58 H 1.0467 -4.7619 0.1246 H 1 UNL1 0.1716 59 H -5.5014 1.8816 -0.0734 H 1 UNL1 0.1701 60 H 3.3394 1.0011 -3.1911 H 1 UNL1 0.1529 61 H 3.3829 -0.7661 -3.0711 H 1 UNL1 0.1640 62 H 1.8547 0.0586 -3.2953 H 1 UNL1 0.1436 63 H -7.4933 -0.1911 -1.3665 H 1 UNL1 0.1545 64 H -7.9458 1.4124 -0.7470 H 1 UNL1 0.1553 65 H -7.0863 0.7439 1.6015 H 1 UNL1 0.1548 66 H -6.6359 -0.8595 0.9776 H 1 UNL1 0.1556 67 H 3.9694 -0.9291 1.0081 H 1 UNL1 0.1397 68 H 5.0872 0.4137 1.3304 H 1 UNL1 0.1324 69 H 3.3426 0.6512 1.4419 H 1 UNL1 0.1730 70 H 5.3863 -0.0711 -2.3150 H 1 UNL1 0.1346 71 H 6.1102 -0.3433 -0.7365 H 1 UNL1 0.1392 72 H 4.8348 -1.4257 -1.3076 H 1 UNL1 0.1580 73 H 3.7973 2.6834 -0.3873 H 1 UNL1 0.1655 74 H 5.4819 2.1850 -0.3980 H 1 UNL1 0.1440 75 H 4.5648 2.2241 -1.9067 H 1 UNL1 0.1343 @BOND 1 62 12 1 2 60 12 1 3 61 12 1 4 12 7 1 5 43 29 1 6 49 32 1 7 70 14 1 8 38 4 1 9 54 10 1 10 75 15 1 11 42 29 1 12 29 6 1 13 29 2 1 14 39 6 1 15 44 30 1 16 63 19 1 17 32 4 1 18 32 48 1 19 32 34 1 20 72 14 1 21 14 71 1 22 14 27 1 23 7 6 1 24 7 22 1 25 7 27 1 26 17 22 1 27 4 2 1 28 4 35 1 29 52 8 1 30 6 5 1 31 10 53 1 32 10 35 1 33 10 24 1 34 15 27 1 35 15 74 1 36 15 73 1 37 64 19 1 38 19 24 1 39 19 20 1 40 2 30 1 41 2 1 1 42 27 13 1 43 8 34 ar 44 8 9 ar 45 30 45 1 46 30 33 1 47 34 36 ar 48 35 31 1 49 51 33 1 50 24 59 1 51 24 20 1 52 58 9 1 53 9 18 ar 54 33 5 1 55 33 50 1 56 5 23 1 57 5 3 1 58 36 1 1 59 36 25 ar 60 20 66 1 61 20 65 1 62 1 3 1 63 1 28 1 64 13 67 1 65 13 68 1 66 13 69 1 67 23 11 1 68 18 25 ar 69 18 21 1 70 31 46 1 71 31 47 1 72 31 28 1 73 25 26 1 74 3 26 1 75 3 37 1 76 21 16 1 77 28 41 1 78 28 40 1 79 11 57 1 80 11 55 1 81 11 56 1