@MOLECULE 6a-methyl-4-pregnen-17a-ol-20-one 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.3906 -0.2418 1.8254 O.3 1 UNL1111111111 -0.5677 2 O 5.0379 0.1221 -1.1313 O.2 1 UNL1111111111 -0.4670 3 C 1.0098 0.8954 0.3735 C.3 1 UNL1111111111 -0.1348 4 C 1.9409 -0.2358 -0.1487 C.3 1 UNL1111111111 0.0318 5 C -0.3755 0.7906 -0.2631 C.3 1 UNL1111111111 -0.1208 6 C -0.9890 -0.5580 0.1922 C.3 1 UNL1111111111 -0.1358 7 C -2.4310 -0.7482 -0.3689 C.3 1 UNL1111111111 0.0615 8 C 3.2973 0.2009 0.4878 C.3 1 UNL1111111111 0.1627 9 C 1.3703 -1.5677 0.3394 C.3 1 UNL1111111111 -0.2834 10 C -0.0696 -1.7393 -0.1793 C.3 1 UNL1111111111 -0.2762 11 C 1.8280 2.1769 0.1544 C.3 1 UNL1111111111 -0.2786 12 C -1.2760 1.9434 0.1919 C.3 1 UNL1111111111 -0.2950 13 C 3.2865 1.7471 0.4305 C.3 1 UNL1111111111 -0.3253 14 C -2.6684 1.7878 -0.4451 C.3 1 UNL1111111111 -0.0961 15 C -3.2654 0.4702 -0.0171 C.2 1 UNL1111111111 -0.0322 16 C 2.1039 -0.2495 -1.6714 C.3 1 UNL1111111111 -0.4638 17 C -3.0169 -2.0298 0.2795 C.3 1 UNL1111111111 -0.2875 18 C -2.4433 -0.9145 -1.8991 C.3 1 UNL1111111111 -0.4559 19 C 4.5188 -0.4230 -0.1896 C.2 1 UNL1111111111 0.4823 20 C -4.5427 -2.0702 0.1788 C.3 1 UNL1111111111 -0.2602 21 C -4.4579 0.3884 0.5839 C.2 1 UNL1111111111 -0.1999 22 C -3.5192 3.0148 -0.0981 C.3 1 UNL1111111111 -0.4504 23 C -5.1247 -0.8918 0.9661 C.3 1 UNL1111111111 -0.2668 24 C 5.0140 -1.7157 0.3668 C.3 1 UNL1111111111 -0.5315 25 H 0.8781 0.7645 1.4785 H 1 UNL1111111111 0.1305 26 H -0.2898 0.8129 -1.3732 H 1 UNL1111111111 0.1450 27 H -1.0773 -0.5257 1.3069 H 1 UNL1111111111 0.1380 28 H 1.3881 -1.6189 1.4440 H 1 UNL1111111111 0.1454 29 H 1.9942 -2.4118 -0.0049 H 1 UNL1111111111 0.1373 30 H -0.0515 -1.8691 -1.2775 H 1 UNL1111111111 0.1443 31 H -0.4856 -2.6789 0.2295 H 1 UNL1111111111 0.1354 32 H 1.5073 2.9911 0.8202 H 1 UNL1111111111 0.1367 33 H 1.7120 2.5537 -0.8751 H 1 UNL1111111111 0.1462 34 H -0.8316 2.9136 -0.0948 H 1 UNL1111111111 0.1413 35 H -1.3650 1.9598 1.2933 H 1 UNL1111111111 0.1436 36 H 3.9632 2.1143 -0.3631 H 1 UNL1111111111 0.1710 37 H 3.6687 2.1706 1.3726 H 1 UNL1111111111 0.1510 38 H -2.5548 1.7606 -1.5614 H 1 UNL1111111111 0.1441 39 H 2.6013 0.6591 -2.0362 H 1 UNL1111111111 0.1627 40 H 2.7101 -1.1008 -2.0021 H 1 UNL1111111111 0.1490 41 H 1.1398 -0.3207 -2.1868 H 1 UNL1111111111 0.1542 42 H -2.7227 -2.0759 1.3456 H 1 UNL1111111111 0.1401 43 H -2.5835 -2.9263 -0.1985 H 1 UNL1111111111 0.1350 44 H -3.4689 -0.8642 -2.2842 H 1 UNL1111111111 0.1504 45 H -1.8653 -0.1307 -2.3985 H 1 UNL1111111111 0.1451 46 H -2.0251 -1.8786 -2.2044 H 1 UNL1111111111 0.1449 47 H -4.9304 -3.0280 0.5679 H 1 UNL1111111111 0.1298 48 H -4.8602 -2.0155 -0.8792 H 1 UNL1111111111 0.1397 49 H -5.0363 1.2738 0.8384 H 1 UNL1111111111 0.1438 50 H -3.6578 3.1174 0.9837 H 1 UNL1111111111 0.1469 51 H -3.0438 3.9342 -0.4581 H 1 UNL1111111111 0.1441 52 H -4.5102 2.9578 -0.5622 H 1 UNL1111111111 0.1451 53 H 2.6974 0.1734 2.3775 H 1 UNL1111111111 0.3260 54 H -5.0011 -1.0615 2.0566 H 1 UNL1111111111 0.1451 55 H -6.2174 -0.8234 0.7952 H 1 UNL1111111111 0.1380 56 H 5.3908 -1.5689 1.3943 H 1 UNL1111111111 0.1919 57 H 4.2092 -2.4606 0.4410 H 1 UNL1111111111 0.1761 58 H 5.8281 -2.1381 -0.2372 H 1 UNL1111111111 0.1726 @BOND 1 1 8 1 2 1 53 1 3 2 19 2 4 3 4 1 5 3 5 1 6 3 11 1 7 3 25 1 8 4 8 1 9 4 9 1 10 4 16 1 11 5 6 1 12 5 12 1 13 5 26 1 14 6 7 1 15 6 10 1 16 6 27 1 17 7 15 1 18 7 17 1 19 7 18 1 20 8 13 1 21 8 19 1 22 9 10 1 23 9 28 1 24 9 29 1 25 10 30 1 26 10 31 1 27 11 13 1 28 11 32 1 29 11 33 1 30 12 14 1 31 12 34 1 32 12 35 1 33 13 36 1 34 13 37 1 35 14 15 1 36 14 22 1 37 14 38 1 38 15 21 2 39 16 39 1 40 16 40 1 41 16 41 1 42 17 20 1 43 17 42 1 44 17 43 1 45 18 44 1 46 18 45 1 47 18 46 1 48 19 24 1 49 20 23 1 50 20 47 1 51 20 48 1 52 21 23 1 53 21 49 1 54 22 50 1 55 22 51 1 56 22 52 1 57 23 54 1 58 23 55 1 59 24 56 1 60 24 57 1 61 24 58 1