HMDB0000541 RDKit 3D 7b-Hydroxy-3-oxo-5b-cholanoic acid 67 70 0 0 0 0 0 0 0 0999 V2000 7.5283 2.1403 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5481 1.4221 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 0.1782 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 -0.2601 -0.9303 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 -0.5011 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 -0.9193 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 0.1512 -0.2778 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6653 0.9699 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 -0.1824 -0.8033 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5806 -1.1547 -1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 -1.6081 -2.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -0.7578 -1.0246 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7978 -1.0695 -0.3885 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8812 -1.5311 -1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -1.8399 -2.4168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2455 -1.6163 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5641 -0.2237 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7904 0.6609 -1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 2.0029 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1372 2.5540 -1.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 2.6039 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 1.6343 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5576 0.2600 0.8549 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6763 -0.6425 2.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 0.2737 0.2566 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1183 0.8217 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 0.0272 1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 -0.7495 0.0721 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7926 -2.2252 0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3829 1.5241 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 2.6328 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 2.9535 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 0.0299 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 -1.4748 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 -1.6831 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 -1.3980 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7843 0.9000 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 1.5386 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 0.2926 -2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 1.7872 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1784 0.7683 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -1.9888 -1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7766 -0.6435 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 -1.3912 -3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 -2.7012 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 0.2994 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.7684 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9865 -1.7797 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3228 -2.3791 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -0.2830 0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 0.6778 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 0.1939 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 3.0270 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7967 3.4607 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 2.1259 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8561 1.5428 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -1.5611 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7587 -0.9441 2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 -0.0938 2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 0.9489 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5277 0.9696 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 1.8654 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 0.6987 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -0.6704 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0934 -2.8561 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 -2.6781 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 -2.3616 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 9 1 0 28 12 1 0 25 13 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 1 8 38 1 0 8 39 1 0 8 40 1 0 9 41 1 6 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 6 13 47 1 1 16 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 25 60 1 6 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 29 65 1 0 29 66 1 0 29 67 1 0 M END