@MOLECULE (5s,8r,9s,10s,12r,13s,14s,17s)-12-hydroxy-17-[(2r)-2-{(1r,3r)-1-hydroxy-3-[(1r,2r)-2-methylcyclopropyl]butyl}oxiran-2-yl]-10,13-dimethylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name) 79 84 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.5953 -1.6517 -0.2807 C.3 1 UNL1 0.1004 2 C 0.0437 -0.9638 -0.2065 C.3 1 UNL1 0.0167 3 C 1.1662 -1.9222 -0.7160 C.3 1 UNL1 -0.1494 4 C -2.7958 0.0311 -0.4808 C.3 1 UNL1 -0.1388 5 C -1.2178 -1.8877 -0.3056 C.3 1 UNL1 -0.1429 6 C -4.0318 0.7540 0.1340 C.3 1 UNL1 0.0663 7 C 6.2204 1.6806 0.7803 C.3 1 UNL1 -0.1755 8 C -2.4493 -1.2433 0.3319 C.3 1 UNL1 -0.1219 9 C 7.3060 1.5070 -0.2701 C.3 1 UNL1 -0.1443 10 C -0.3263 0.2246 -1.1291 C.3 1 UNL1 0.1432 11 C 3.1229 -0.2266 -0.4206 C.3 1 UNL1 0.1193 12 C -5.2103 -0.2601 0.1314 C.3 1 UNL1 -0.1037 13 C 4.7685 1.5195 0.3733 C.3 1 UNL1 -0.0688 14 C 4.4427 0.0147 0.3123 C.3 1 UNL1 -0.3401 15 C 0.3523 -0.4963 1.2133 C.3 1 UNL1 -0.4541 16 C -3.7243 1.2842 1.5383 C.3 1 UNL1 -0.4577 17 C 8.5828 0.8020 0.0973 C.3 1 UNL1 -0.4343 18 C 3.8707 2.2455 1.3809 C.3 1 UNL1 -0.4519 19 H 1.4088 0.9858 -1.7274 H 1 UNL1 0.3419 20 H 3.9296 -0.5020 -2.2225 H 1 UNL1 0.3221 21 O -7.9726 1.8605 -0.4340 O.2 1 UNL1 -0.4736 22 C 3.5945 -2.7665 -0.3452 C.3 1 UNL1 -0.1774 23 C 7.0090 2.8791 0.2989 C.3 1 UNL1 -0.3458 24 C -1.5743 0.9547 -0.5872 C.3 1 UNL1 -0.3143 25 C 0.7054 -3.3374 -0.2434 C.3 1 UNL1 -0.2764 26 C -0.7397 -3.2169 0.2775 C.3 1 UNL1 -0.2779 27 C -4.4398 1.9298 -0.7873 C.3 1 UNL1 -0.2831 28 C -3.6412 -2.2109 0.3307 C.3 1 UNL1 -0.2837 29 C -6.5025 0.3680 0.6675 C.3 1 UNL1 -0.4025 30 C -4.8722 -1.5260 0.9323 C.3 1 UNL1 -0.2805 31 C -5.7303 2.6151 -0.3350 C.3 1 UNL1 -0.3793 32 O 0.6557 1.2371 -1.1496 O.3 1 UNL1 -0.5846 33 O 3.2572 0.0627 -1.7987 O.3 1 UNL1 -0.5776 34 C -6.8421 1.6297 -0.0823 C.2 1 UNL1 0.4908 35 O 3.0473 -2.3186 0.8999 O.3 1 UNL1 -0.3348 36 H -3.0759 -0.2897 -1.5148 H 1 UNL1 0.1348 37 H -2.2227 -0.9623 1.3872 H 1 UNL1 0.1460 38 H -1.4437 -2.0585 -1.3897 H 1 UNL1 0.1356 39 H 1.1642 -1.8898 -1.8333 H 1 UNL1 0.1464 40 H -5.3912 -0.5637 -0.9318 H 1 UNL1 0.1400 41 H 6.4171 1.3119 1.7924 H 1 UNL1 0.1554 42 H 3.3056 -3.7681 -0.6481 H 1 UNL1 0.1501 43 H 4.6549 -2.5744 -0.4783 H 1 UNL1 0.1496 44 H 6.5292 3.6259 -0.3255 H 1 UNL1 0.1566 45 H 7.7223 3.3543 0.9637 H 1 UNL1 0.1544 46 H 6.9945 1.3069 -1.3015 H 1 UNL1 0.1505 47 H -0.4855 -0.1237 -2.1735 H 1 UNL1 0.1076 48 H -1.7889 1.8133 -1.2519 H 1 UNL1 0.1510 49 H -1.3248 1.4013 0.3944 H 1 UNL1 0.1616 50 H 2.3545 0.5204 -0.0862 H 1 UNL1 0.1877 51 H 0.7691 -4.0556 -1.0737 H 1 UNL1 0.1293 52 H 1.3503 -3.7280 0.5637 H 1 UNL1 0.1580 53 H -0.7650 -3.2025 1.3802 H 1 UNL1 0.1439 54 H -1.3636 -4.0648 -0.0396 H 1 UNL1 0.1332 55 H 4.6025 1.9610 -0.6418 H 1 UNL1 0.1497 56 H -3.6249 2.6790 -0.8225 H 1 UNL1 0.1481 57 H -4.5563 1.5651 -1.8262 H 1 UNL1 0.1428 58 H -3.8573 -2.5572 -0.6965 H 1 UNL1 0.1388 59 H -3.3928 -3.1191 0.9100 H 1 UNL1 0.1376 60 H 4.3903 -0.4064 1.3373 H 1 UNL1 0.1712 61 H 5.2715 -0.5199 -0.1881 H 1 UNL1 0.1458 62 H -7.3412 -0.3550 0.5894 H 1 UNL1 0.1710 63 H -6.4158 0.5956 1.7487 H 1 UNL1 0.1694 64 H -4.6922 -1.2774 1.9941 H 1 UNL1 0.1410 65 H -5.7323 -2.2208 0.9269 H 1 UNL1 0.1362 66 H -5.5568 3.2010 0.5913 H 1 UNL1 0.1678 67 H -6.0528 3.3599 -1.0931 H 1 UNL1 0.1703 68 H 0.9831 0.4034 1.2060 H 1 UNL1 0.1586 69 H -0.5511 -0.2373 1.7761 H 1 UNL1 0.1475 70 H 0.8785 -1.2710 1.7860 H 1 UNL1 0.1587 71 H -2.9508 2.0603 1.5112 H 1 UNL1 0.1483 72 H -4.6077 1.7264 2.0093 H 1 UNL1 0.1443 73 H -3.3674 0.4904 2.2032 H 1 UNL1 0.1477 74 H 8.4704 -0.2869 0.0148 H 1 UNL1 0.1466 75 H 9.4059 1.1025 -0.5643 H 1 UNL1 0.1485 76 H 8.8995 1.0195 1.1250 H 1 UNL1 0.1476 77 H 3.9328 1.7972 2.3779 H 1 UNL1 0.1454 78 H 4.1614 3.2984 1.4735 H 1 UNL1 0.1482 79 H 2.8191 2.2254 1.0703 H 1 UNL1 0.1513 @BOND 1 20 33 1 2 47 10 1 3 39 3 1 4 57 27 1 5 33 11 1 6 19 32 1 7 36 4 1 8 38 5 1 9 46 9 1 10 48 24 1 11 32 10 1 12 10 24 1 13 10 2 1 14 67 31 1 15 51 25 1 16 40 12 1 17 56 27 1 18 27 31 1 19 27 6 1 20 3 1 1 21 3 25 1 22 3 2 1 23 58 28 1 24 42 22 1 25 55 13 1 26 24 4 1 27 24 49 1 28 75 17 1 29 4 6 1 30 4 8 1 31 43 22 1 32 21 34 2 33 11 1 1 34 11 50 1 35 11 14 1 36 22 1 1 37 22 35 1 38 31 34 1 39 31 66 1 40 44 23 1 41 5 2 1 42 5 26 1 43 5 8 1 44 1 35 1 45 9 17 1 46 9 23 1 47 9 7 1 48 25 26 1 49 25 52 1 50 2 15 1 51 61 14 1 52 34 29 1 53 54 26 1 54 74 17 1 55 17 76 1 56 12 6 1 57 12 29 1 58 12 30 1 59 6 16 1 60 26 53 1 61 23 7 1 62 23 45 1 63 14 13 1 64 14 60 1 65 28 8 1 66 28 59 1 67 28 30 1 68 8 37 1 69 13 7 1 70 13 18 1 71 62 29 1 72 29 63 1 73 7 41 1 74 65 30 1 75 30 64 1 76 79 18 1 77 68 15 1 78 15 69 1 79 15 70 1 80 18 78 1 81 18 77 1 82 71 16 1 83 16 72 1 84 16 73 1