HMDB0000016 RDKit 3D Deoxycorticosterone 54 57 0 0 0 0 0 0 0 0999 V2000 1.7911 -0.1685 1.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.2113 0.0873 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2010 1.5235 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1498 1.4968 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 0.2752 -0.7247 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2012 -0.9433 -0.1695 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9750 -2.1569 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 -2.1710 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 -0.8669 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2683 -0.8951 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.3584 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0137 0.5337 1.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5502 1.4384 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2674 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 0.4355 -0.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2591 1.2563 1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 -0.8005 -0.7934 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0308 -1.9705 -0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3691 -1.2987 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 0.0806 -0.4189 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3545 0.1598 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0521 -0.8565 0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6674 1.3885 1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 2.4534 1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 -1.2521 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 0.1987 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 0.3913 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 2.1199 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 2.0652 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 1.8648 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 2.3230 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -0.0534 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 -0.9251 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -2.1215 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 -3.0687 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 -2.9364 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -2.4822 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8077 -1.8400 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2764 1.5068 -1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 2.3980 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1326 0.8145 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6665 2.2749 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 1.1690 1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 2.3469 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 0.9337 1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0929 -0.3965 -1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 -2.6823 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -2.5338 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 -1.1463 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2239 -1.8703 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 0.8689 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 1.6746 1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 1.2074 2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 2.9517 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 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 6 6 33 1 1 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 10 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 17 46 1 6 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 6 23 52 1 0 23 53 1 0 24 54 1 0 M END