HMDB0001471 RDKit 3D Epipregnanolone 57 60 0 0 0 0 0 0 0 0999 V2000 -5.3639 -0.6884 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6775 -0.3046 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1574 -0.6786 -1.9783 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 0.4950 -0.9184 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6061 1.8377 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 2.1531 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.1418 -0.2872 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0952 0.7920 0.4213 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7424 2.0786 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 1.7946 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 0.5501 0.8619 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1382 0.3896 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -0.2511 -0.5397 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5499 -1.2560 -0.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 -0.9388 -1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 -1.6387 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -0.6661 0.4846 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4622 -1.4260 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 -0.2362 -0.3263 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1424 -1.3710 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 -1.0391 -1.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -0.1026 -0.3260 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3879 -0.7205 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 -0.2465 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3384 -1.8123 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4573 -0.4567 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 0.7883 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 1.7948 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 2.6006 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 3.1660 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 2.1609 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 1.3629 -1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 0.5320 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 2.7837 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 2.6125 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 2.6394 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 1.8193 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 0.7429 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -0.1222 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5733 1.4320 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 0.4670 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6689 -1.8865 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.2456 -2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 -1.7365 -1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 -2.1861 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -2.3885 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -0.7072 2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7365 -2.2196 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 -1.7914 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 0.3017 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 -2.2707 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -1.7388 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -1.9973 -1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -0.5305 -2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3776 -1.1392 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -1.6213 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6537 -0.0223 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 4 27 1 6 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 6 8 33 1 1 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 1 12 39 1 0 12 40 1 0 13 41 1 6 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 18 47 1 0 18 48 1 0 18 49 1 0 19 50 1 6 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 M END