HMDB0094682 RDKit 3D 5alpha-Androstan-3alpha,17beta-diol disulfate 61 64 0 0 0 0 0 0 0 0999 V2000 1.6743 -1.5739 -1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.2358 -0.7009 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9687 0.8117 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.7165 -1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 0.3933 -0.6890 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4870 1.5703 0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0973 1.9397 0.1647 S 0 0 0 0 0 6 0 0 0 0 0 0 6.9918 1.0406 -0.6038 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 3.3449 -0.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5497 2.0402 1.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6148 -0.5849 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -0.0434 0.5704 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6103 -0.5859 1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 -1.3677 1.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 -0.9270 0.5787 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0159 0.0706 -0.4087 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8879 0.1307 -1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 0.4493 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 -0.4199 -0.1096 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0283 -1.8432 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 0.1189 0.5568 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2325 -0.1738 -0.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0627 1.2686 -0.3144 S 0 0 0 0 0 6 0 0 0 0 0 0 -6.6549 1.3675 -1.6853 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 1.2856 0.6811 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 2.5981 -0.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 -0.6708 1.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -0.9461 2.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 -0.3009 1.0508 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5756 -1.5069 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -1.8411 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 -2.3981 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 1.8356 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 0.5858 -2.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 1.7259 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 0.0204 -2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -0.0291 -1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 2.3948 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 -0.5508 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6143 -1.6177 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 1.0699 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 0.2225 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.2469 2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 -1.3528 2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -2.4583 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -1.8237 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 1.0604 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 0.9647 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.7699 -2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 0.2884 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 1.5043 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -2.1555 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 -2.4951 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -2.0558 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9167 1.1973 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3869 3.3987 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 -1.6515 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 -0.1321 2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -2.0144 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 -0.4239 3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 0.7818 1.2096 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 2 0 7 9 2 0 7 10 1 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 2 0 23 26 1 0 21 27 1 0 27 28 1 0 28 29 1 0 12 2 1 0 29 15 1 0 16 2 1 0 29 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 6 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 1 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 6 16 47 1 1 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 20 52 1 0 20 53 1 0 20 54 1 0 21 55 1 1 26 56 1 0 27 57 1 0 27 58 1 0 28 59 1 0 28 60 1 0 29 61 1 1 M END