HMDB0060437 RDKit 3D Androstan-3alpha,17beta-diol 53 56 0 0 0 0 0 0 0 0999 V2000 1.6554 -1.0669 1.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -0.6615 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -1.6802 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 -1.6991 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2972 -0.3627 0.3125 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5330 -0.2694 -0.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 0.8058 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 0.6764 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 1.6985 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 1.7165 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 0.3665 0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0109 -0.7260 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 -0.8258 -1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 -0.1176 -1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5968 -0.2515 -0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 -1.6850 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 0.4623 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 1.8832 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0847 1.5835 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8678 0.4763 -1.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9549 -0.3613 -1.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 -0.3587 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -1.3426 2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -2.0032 2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 -1.4757 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 -2.6774 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 -2.3849 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -2.2169 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -0.2217 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 0.6066 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 1.1014 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 1.7009 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.9379 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 1.5560 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 2.6959 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 2.3760 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 2.1621 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 0.0921 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 -1.6928 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 -0.4504 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 -1.9055 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 0.9392 -1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -0.5735 -2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8644 -1.9444 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2602 -1.8159 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 -2.4095 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8131 0.0928 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 2.3073 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5726 2.5302 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 2.4817 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6334 1.2409 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 0.9294 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5894 -0.2390 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 8 2 1 0 17 11 1 0 12 2 1 0 20 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 1 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 6 21 53 1 0 M END