HMDB0002492 RDKit 3D 7a-Hydroxy-5b-cholanic acid 67 70 0 0 0 0 0 0 0 0999 V2000 3.5962 -1.9466 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6968 -0.4835 -0.7037 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0231 0.0554 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -0.0065 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 -1.3222 1.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6038 -2.0516 1.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 -1.9154 2.5422 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.2318 -0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6456 1.7481 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 2.2498 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 1.0135 0.2969 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9871 1.1103 0.0244 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6595 -0.2321 -0.0229 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8873 -1.2756 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 -1.3344 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 -0.0125 -0.5957 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0987 0.3961 -2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 -0.0402 -0.6162 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8626 0.7438 -1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 -1.2868 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4537 -1.9440 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -0.9364 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3689 0.1002 1.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 0.8560 0.3079 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1012 2.0960 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6691 1.8622 1.1538 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7508 1.0735 2.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 -2.4065 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2486 -2.5208 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -2.2190 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 -0.3810 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -0.5684 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 1.0816 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7822 0.6090 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 0.4811 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7961 -2.3011 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 0.0932 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 2.2058 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0195 1.9713 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 2.8111 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 2.9237 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 0.7494 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 1.7122 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -0.5767 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -1.1961 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 -2.2781 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -2.0960 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6238 -1.5891 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 0.6589 -2.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 1.2731 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -0.4127 -2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 0.5529 -2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 1.8139 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 0.3858 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5113 -1.0376 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -2.0242 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -2.5018 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -2.6901 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -0.3963 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9719 -1.3891 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 0.8187 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 -0.3851 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7184 1.1722 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 2.9126 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6293 2.5028 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 2.8413 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 0.6504 2.5429 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 2 0 5 7 1 0 2 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 16 17 1 6 13 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 16 8 1 0 24 18 1 0 16 11 1 0 26 12 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 6 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 7 36 1 0 8 37 1 1 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 1 12 43 1 6 13 44 1 1 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 17 49 1 0 17 50 1 0 17 51 1 0 19 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 6 25 64 1 0 25 65 1 0 26 66 1 1 27 67 1 0 M END