HMDB0001449 RDKit 3D Allopregnanolone 57 60 0 0 0 0 0 0 0 0999 V2000 -6.0152 -1.0465 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7004 -0.7948 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6453 -0.6823 1.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4993 -0.6880 -0.2899 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7084 0.4688 -1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4299 1.2838 -1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 0.2905 -0.6891 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1454 0.7811 -0.2608 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6520 1.4450 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 0.6485 -1.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7059 0.0798 -0.8669 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0300 0.7573 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8247 0.0517 0.3184 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0774 -0.2696 -0.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -1.2275 0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -1.1816 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0282 -0.0769 0.4980 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1679 1.1562 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -0.4496 0.2202 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0812 -1.1233 1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -1.4567 1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -0.2710 0.4689 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5433 0.6672 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -0.0592 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7561 -1.4603 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9356 -1.6973 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2432 -1.6171 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5895 1.0732 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 0.0611 -2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 1.6710 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 2.1304 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -0.5478 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 1.5346 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 2.4535 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 1.6134 -2.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 1.3060 -2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 -0.1385 -2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -0.9785 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 1.8527 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 0.6872 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0966 0.7601 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 0.5307 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8203 -1.5395 1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 -2.0249 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 -2.1429 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6229 -1.1646 2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 1.3927 1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 1.0311 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 2.0613 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 -1.1612 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4362 -2.0842 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 -0.5089 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -2.3501 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 -1.7482 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 1.3625 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 1.2845 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 0.0549 2.5286 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 6 12 39 1 0 12 40 1 0 13 41 1 1 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