HMDB0000353 RDKit 3D 3b,15b,17a-Trihydroxy-pregnenone 57 60 0 0 0 0 0 0 0 0999 V2000 4.5434 1.8421 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3773 0.3691 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1936 -0.1311 -0.7512 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1517 0.2111 -2.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -1.6699 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -2.1551 -0.6623 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5140 -2.8388 0.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 -0.8944 -0.8546 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3312 -0.8578 -0.4140 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2110 -1.9669 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -1.7711 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 -0.3940 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4399 -0.2723 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0705 1.0121 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4435 1.0445 -0.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2661 2.0625 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8207 1.9737 -0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 3.0540 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 0.7009 -0.1030 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8885 0.4609 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 0.4559 -0.9394 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0876 1.4782 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 1.4141 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 0.0827 -0.0474 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0583 -0.3053 1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 2.3453 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 2.3530 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 2.0527 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -0.0089 1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2942 -0.0753 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 1.0521 -2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -2.0349 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 -2.0490 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.8534 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 -3.7782 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -0.5997 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3889 -0.8776 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 -2.0685 -2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8298 -2.9171 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7691 -2.1971 0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 -2.4179 -1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 -0.1929 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 -1.0881 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 -0.3687 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0006 1.5844 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 2.9785 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9121 0.7978 1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6346 1.0721 1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 -0.5856 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 0.1832 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5855 1.3229 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2013 2.5258 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 2.1151 -0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 1.8853 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 0.5709 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -0.4719 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 -1.1598 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 1 24 3 1 0 24 8 1 0 21 9 1 0 19 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 6 7 35 1 0 8 36 1 6 9 37 1 1 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 15 45 1 0 16 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 6 22 51 1 0 22 52 1 0 23 53 1 0 23 54 1 0 25 55 1 0 25 56 1 0 25 57 1 0 M END