HMDB0060409 RDKit 3D 5alpha-Pregnane-3alpha,20alpha-diol 59 62 0 0 0 0 0 0 0 0999 V2000 -5.3153 0.1304 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6383 -0.6541 -0.6348 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5827 -2.0022 -0.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3324 -0.1935 -1.1274 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3075 1.1882 -1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.8532 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 0.6568 -0.9298 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0820 0.8669 -0.2601 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8939 1.8578 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 1.7174 -0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9414 0.5150 -0.3813 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1515 0.8646 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8658 -0.3772 0.9003 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1227 -0.3576 0.2484 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 -1.6467 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -1.6759 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -0.3246 0.4821 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8980 0.2622 1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 -0.4987 -0.2190 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1325 -1.5428 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -1.6534 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.3102 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3631 -0.0075 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4472 0.0653 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 1.2143 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1088 -0.2572 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3439 -0.6649 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -2.0505 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -0.8767 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2269 1.7637 -1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 1.2015 -2.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 2.3878 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 2.5743 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 0.2162 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 1.2208 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 2.8817 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 1.8115 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 2.6156 -0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 1.8444 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 -0.1696 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7659 1.5507 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 1.4588 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1361 -0.3818 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9965 -0.3553 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -2.4504 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5527 -1.9654 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 -2.2036 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -2.3096 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0874 -0.2666 2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8248 0.0547 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 1.3621 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9423 -0.7722 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 -2.5276 0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 -1.4510 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -1.9322 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 -2.4156 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 0.1895 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8206 -0.8879 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 0.8570 1.4259 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 0 5 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 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 4 1 0 22 7 1 0 19 8 1 0 17 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 6 3 28 1 0 4 29 1 6 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 6 8 35 1 1 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 6 12 41 1 0 12 42 1 0 13 43 1 1 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 18 49 1 0 18 50 1 0 18 51 1 0 19 52 1 6 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 23 57 1 0 23 58 1 0 23 59 1 0 M END