HMDB0011653 RDKit 3D 17alpha,20alpha-Dihydroxypregn-4-en-3-one 56 59 0 0 0 0 0 0 0 0999 V2000 -5.3887 -0.6106 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1153 -0.8094 0.1883 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2896 -0.5084 1.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -0.0593 -0.4891 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9534 -0.4467 -1.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 1.4329 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 2.0003 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 0.7889 -0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5259 0.8785 -0.4056 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2013 1.6094 -1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6543 1.3770 -1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 0.6026 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5972 0.6886 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -0.0833 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 0.3826 1.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -1.4152 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2492 -1.5954 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 -0.2770 0.3250 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4610 0.4197 1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 -0.4753 -0.2886 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3714 -1.4818 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -1.5647 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -0.2471 0.1334 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6084 0.2145 1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 0.2607 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0878 -0.4787 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0306 -1.5208 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -1.8910 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9669 -1.1413 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 -1.4161 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7078 1.7765 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 1.8306 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6358 2.7943 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 2.3711 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0392 0.5424 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 1.4637 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 2.7030 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 1.2368 -2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 0.8795 -2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1812 2.3720 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 1.3295 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 -2.1960 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -1.5330 2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 -2.2799 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -2.0126 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 0.1278 2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 1.5233 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 0.1575 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -0.8723 -1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 -1.3218 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 -2.4801 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 -1.7340 -1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -2.3497 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 0.7743 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -0.6291 2.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 0.8924 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 6 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 4 1 0 23 8 1 0 20 9 1 0 18 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 1 3 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 6 9 36 1 1 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 20 49 1 6 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 M END