HMDB0000376 RDKit 3D 3b,7a,12a-Trihydroxy-5a-Cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 4.7049 1.5500 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 0.3999 0.2282 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3454 -0.9399 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 -1.2684 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -0.5748 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 0.1085 0.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 -0.7061 2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 0.6352 -0.5602 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6113 0.7604 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 0.6843 -2.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 0.6337 -1.1333 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0082 0.2448 -1.1215 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4500 0.0375 0.3177 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5280 -0.8972 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -0.3427 1.0395 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8485 0.9271 1.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 -0.2691 -0.3550 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4317 -1.5816 -1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 -0.3682 0.3461 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0528 -1.5657 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -0.6815 1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7373 -0.1807 2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7095 -0.2236 0.9206 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3992 -1.4384 0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1269 0.1774 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 0.7438 -0.2216 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2808 1.2313 -1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 1.4049 -1.7034 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3455 2.5525 -1.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2464 1.8793 0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 1.5085 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 2.4718 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4248 0.5747 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 -1.2601 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 -1.7245 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9504 -1.2074 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6421 -2.3849 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8204 0.1955 2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 1.6562 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 1.7199 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 -0.0266 -2.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.1481 -3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.6356 -2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 1.6527 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -0.6989 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 1.0403 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -0.9399 2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -1.9465 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5137 -1.0089 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 0.9399 2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -2.4748 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.6604 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 -1.7232 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -2.1197 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -2.2278 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -1.1914 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -0.1998 2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -1.7804 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1307 -0.7819 2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6732 0.8695 2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5059 0.5456 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1798 -1.2415 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -0.6695 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6959 1.0030 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 1.5306 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7226 2.2663 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7152 0.6508 -2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 1.4634 -2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 2.7594 -0.2882 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 15 17 1 0 17 18 1 6 13 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 17 8 1 0 26 19 1 0 17 11 1 0 28 12 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 8 39 1 1 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 1 12 45 1 6 13 46 1 1 14 47 1 0 14 48 1 0 15 49 1 1 16 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 20 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 1 24 62 1 0 25 63 1 0 25 64 1 0 26 65 1 1 27 66 1 0 27 67 1 0 28 68 1 6 29 69 1 0 M END