@MOLECULE 15beta,17alpha-dihydroxy-4-pregnen-3,20-dione 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9225 0.9585 1.8585 O.3 1 UNL1111111111 -0.5544 2 O -1.8989 -2.7105 -0.4041 O.3 1 UNL1111111111 -0.5598 3 O -5.2338 0.1644 -0.5295 O.2 1 UNL1111111111 -0.4568 4 O 5.9038 0.7713 1.3740 O.2 1 UNL1111111111 -0.4671 5 C -1.8741 0.3520 -0.1801 C.3 1 UNL1111111111 0.0710 6 C -0.9975 -0.7175 0.5300 C.3 1 UNL1111111111 -0.1705 7 C 0.3037 -0.9445 -0.2342 C.3 1 UNL1111111111 -0.1074 8 C 1.0883 0.3978 -0.1888 C.3 1 UNL1111111111 -0.1293 9 C -3.1779 0.2415 0.6706 C.3 1 UNL1111111111 0.1670 10 C -1.1273 1.6841 -0.0952 C.3 1 UNL1111111111 -0.2880 11 C 2.4638 0.2478 -0.9031 C.3 1 UNL1111111111 0.0377 12 C -1.9449 -1.9087 0.7573 C.3 1 UNL1111111111 0.1590 13 C 0.2495 1.5510 -0.7713 C.3 1 UNL1111111111 -0.2767 14 C -3.3402 -1.2668 0.9616 C.3 1 UNL1111111111 -0.3943 15 C 1.1166 -2.0850 0.3976 C.3 1 UNL1111111111 -0.2749 16 C -2.2205 0.0182 -1.6332 C.3 1 UNL1111111111 -0.4682 17 C 3.1682 -0.8837 -0.1807 C.2 1 UNL1111111111 0.1142 18 C 2.4911 -2.2150 -0.2789 C.3 1 UNL1111111111 -0.3028 19 C 3.2977 1.5506 -0.8319 C.3 1 UNL1111111111 -0.2801 20 C 2.3084 -0.0954 -2.3946 C.3 1 UNL1111111111 -0.4591 21 C -4.4048 0.8640 -0.0039 C.2 1 UNL1111111111 0.4477 22 C 3.9227 1.7840 0.5403 C.3 1 UNL1111111111 -0.3856 23 C 4.2507 -0.7137 0.5919 C.2 1 UNL1111111111 -0.3790 24 C 4.8170 0.6118 0.8736 C.2 1 UNL1111111111 0.4951 25 C -4.5168 2.3529 0.0194 C.3 1 UNL1111111111 -0.5421 26 H -0.7380 -0.3235 1.5510 H 1 UNL1111111111 0.1588 27 H 0.0721 -1.2197 -1.2899 H 1 UNL1111111111 0.1567 28 H 1.2969 0.6354 0.8840 H 1 UNL1111111111 0.1422 29 H -1.0052 1.9885 0.9636 H 1 UNL1111111111 0.1592 30 H -1.7062 2.4930 -0.5732 H 1 UNL1111111111 0.1373 31 H -1.6388 -2.5475 1.6094 H 1 UNL1111111111 0.1150 32 H 0.1172 1.4086 -1.8598 H 1 UNL1111111111 0.1422 33 H 0.7954 2.5067 -0.6529 H 1 UNL1111111111 0.1371 34 H -4.0817 -1.7148 0.2705 H 1 UNL1111111111 0.1845 35 H -3.7222 -1.4421 1.9772 H 1 UNL1111111111 0.1500 36 H 0.5546 -3.0347 0.2959 H 1 UNL1111111111 0.1553 37 H 1.2458 -1.9147 1.4822 H 1 UNL1111111111 0.1409 38 H -2.8605 0.7810 -2.0866 H 1 UNL1111111111 0.1428 39 H -1.3224 -0.0663 -2.2560 H 1 UNL1111111111 0.1571 40 H -2.7381 -0.9491 -1.7135 H 1 UNL1111111111 0.1736 41 H 2.3760 -2.5345 -1.3334 H 1 UNL1111111111 0.1576 42 H 3.0798 -3.0180 0.2060 H 1 UNL1111111111 0.1519 43 H 2.6780 2.4187 -1.1216 H 1 UNL1111111111 0.1452 44 H 4.1065 1.5057 -1.5916 H 1 UNL1111111111 0.1503 45 H 1.9468 0.7667 -2.9656 H 1 UNL1111111111 0.1482 46 H 3.2655 -0.4046 -2.8312 H 1 UNL1111111111 0.1519 47 H 1.5947 -0.9103 -2.5605 H 1 UNL1111111111 0.1540 48 H -3.5525 0.7135 2.5645 H 1 UNL1111111111 0.3187 49 H 3.1492 1.8930 1.3254 H 1 UNL1111111111 0.1672 50 H 4.5008 2.7291 0.5573 H 1 UNL1111111111 0.1697 51 H -2.6258 -3.3614 -0.4105 H 1 UNL1111111111 0.3136 52 H 4.7567 -1.5419 1.0830 H 1 UNL1111111111 0.1782 53 H -5.5666 2.6752 0.0810 H 1 UNL1111111111 0.1792 54 H -3.9679 2.8047 0.8596 H 1 UNL1111111111 0.1858 55 H -4.1081 2.7840 -0.9074 H 1 UNL1111111111 0.1802 @BOND 1 1 9 1 2 1 48 1 3 2 12 1 4 2 51 1 5 3 21 2 6 4 24 2 7 5 6 1 8 5 9 1 9 5 10 1 10 5 16 1 11 6 7 1 12 6 12 1 13 6 26 1 14 7 8 1 15 7 15 1 16 7 27 1 17 8 11 1 18 8 13 1 19 8 28 1 20 9 14 1 21 9 21 1 22 10 13 1 23 10 29 1 24 10 30 1 25 11 17 1 26 11 19 1 27 11 20 1 28 12 14 1 29 12 31 1 30 13 32 1 31 13 33 1 32 14 34 1 33 14 35 1 34 15 18 1 35 15 36 1 36 15 37 1 37 16 38 1 38 16 39 1 39 16 40 1 40 17 18 1 41 17 23 2 42 18 41 1 43 18 42 1 44 19 22 1 45 19 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 20 47 1 50 21 25 1 51 22 24 1 52 22 49 1 53 22 50 1 54 23 24 1 55 23 52 1 56 25 53 1 57 25 54 1 58 25 55 1