HMDB0062609 RDKit 3D 5beta-dihydrodeoxycorticosterone 56 59 0 0 0 0 0 0 0 0999 V2000 1.7577 -0.0815 -1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -0.5266 -0.0181 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1185 -1.8249 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 -1.7241 0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 -0.4730 0.7058 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0943 0.7656 0.4069 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7654 1.9728 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 1.7549 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 0.9788 -0.2324 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0984 1.1331 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7749 -0.1385 -0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4723 -0.2326 -1.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 -1.3096 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -1.2609 0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 -0.4877 -0.1425 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0382 -1.0938 -1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 0.4172 0.9809 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2344 1.4578 1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 0.5403 1.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 -0.6096 0.5235 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3786 -0.5131 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 -1.5581 -0.6006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7836 0.6648 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 0.3784 -2.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 -0.4973 -1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 0.9873 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 -0.6355 -2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -2.3063 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 -2.5023 0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -2.0669 1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 -2.5517 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.2489 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 0.9160 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 2.1650 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5675 2.8741 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 1.3000 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7997 2.7438 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0427 1.4008 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 1.8893 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 1.5215 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 -2.2665 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3775 -1.2452 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 -2.2728 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 -0.7534 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 -0.2855 -2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -1.5760 -1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 -1.8076 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 -0.1773 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 2.0058 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 2.1696 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1573 0.1140 2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 1.0395 1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.5882 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 1.1333 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1102 1.4822 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 0.8095 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 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 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 17 2 1 0 20 2 1 0 15 5 1 0 15 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 1 6 33 1 6 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 6 10 39 1 0 10 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 16 45 1 0 16 46 1 0 16 47 1 0 17 48 1 1 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 1 23 54 1 0 23 55 1 0 24 56 1 0 M END