HMDB0000315 RDKit 3D 16-a-Hydroxypregnenolone 56 59 0 0 0 0 0 0 0 0999 V2000 4.6458 2.0741 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 0.7252 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 0.4555 1.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -0.2139 -0.1627 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5290 -1.5484 0.6048 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5640 -2.3526 0.1932 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -2.1658 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 -1.1132 -0.3423 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0474 -0.9948 0.0623 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7865 -2.2514 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 -2.0663 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 -0.8904 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2482 -0.7884 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8946 -0.0565 -0.6889 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8320 0.8301 -0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 0.6101 -1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 1.3898 -0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 0.4008 0.0292 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9224 1.0303 1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 0.1544 -0.6035 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0969 1.4159 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5715 1.2435 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 0.1805 0.0894 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9312 0.4712 1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 2.0348 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7081 2.4035 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 2.8662 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -0.3771 -1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5701 -1.2737 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 -2.6011 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -2.5376 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -3.0308 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 -1.1517 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 -0.9733 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -3.1486 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6132 -2.2852 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -2.9692 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 -1.8177 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3574 -0.2818 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 -0.8170 -1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6948 1.7579 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 1.3162 -2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4279 -0.1703 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 1.9709 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 2.0795 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 0.7900 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 0.6157 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 2.1381 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -0.1568 -1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 2.1000 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 1.9879 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0358 2.2432 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 1.0206 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 1.4385 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 -0.3485 2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 0.6377 2.0133 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 4 1 0 23 8 1 0 20 9 1 0 18 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 6 5 29 1 1 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 6 9 34 1 1 10 35 1 0 10 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 14 40 1 6 15 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 20 49 1 6 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 M END