HMDB0000495 RDKit 3D Androstanediol 53 56 0 0 0 0 0 0 0 0999 V2000 -3.1633 1.3205 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 0.0204 -0.0063 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2694 0.1578 1.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 0.8022 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.0324 0.5969 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4420 0.1032 -0.8346 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5341 -0.4784 -1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 -0.1065 -1.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 -0.4577 -0.1354 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7662 -0.3243 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 0.2458 1.3545 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4549 -0.3005 1.6629 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 -0.1788 2.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 0.2140 2.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 0.4298 0.7599 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6847 1.8977 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 -0.6990 -0.8388 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3882 -0.8852 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7885 -1.2851 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -0.9662 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0984 -0.4903 0.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 1.6652 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 1.2548 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 2.1053 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2766 -0.7913 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 0.8478 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 0.7161 2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 1.8660 1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -1.0468 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 1.1728 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2505 -0.0982 -2.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -1.5865 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 -0.7460 -2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 0.9388 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -1.5023 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 0.2636 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 -1.3567 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 1.3460 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -1.2917 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 -1.2798 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6011 0.3009 3.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.6109 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 1.1308 2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 2.3155 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 2.4961 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 2.0954 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -1.6651 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 0.0529 -2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9096 -1.6797 -2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 -2.4036 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -0.7790 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6244 -1.8760 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3747 -0.9063 1.0682 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 1 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 17 2 1 0 20 2 1 0 15 5 1 0 15 9 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 6 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 1 10 36 1 0 10 37 1 0 11 38 1 6 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 1 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 M END