HMDB0000865 RDKit 3D Muricholic acid 69 72 0 0 0 0 0 0 0 0999 V2000 -3.9364 -1.4732 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 -0.3775 -0.1131 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1076 0.4088 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2988 -0.4586 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5642 0.3417 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6605 -0.2131 0.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5763 1.6831 -0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6097 0.4659 -0.3601 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5075 1.5852 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3599 1.0478 1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 0.7008 0.4572 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8830 0.1983 0.7684 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6923 1.1042 1.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 2.4114 1.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 1.0655 1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 2.0358 0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -0.3196 0.9398 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9857 -0.5953 1.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 0.0390 0.0040 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9712 1.4103 0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 -0.3643 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 -0.0513 -1.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 -0.5750 -0.4185 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8816 -2.0877 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 0.0820 -0.5765 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8302 -0.6684 -1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 -0.1969 -1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 -0.2194 -0.3752 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3655 -1.6259 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -2.4888 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -1.4413 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 -1.3519 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8267 -0.7980 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1131 1.2293 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 0.8222 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4004 -1.3799 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2546 -0.7825 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1940 2.0636 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 0.9374 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 1.7628 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 2.4778 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 0.1837 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 1.8867 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3291 1.6464 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -0.7924 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 0.7520 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 2.8466 2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 1.3023 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 2.7914 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -1.0238 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -1.6724 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -0.1757 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8498 -0.3981 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9498 1.9006 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 0.1456 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4441 -1.4516 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 1.0246 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5075 -0.5915 -2.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 -2.4694 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -2.3411 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -2.5637 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7509 1.1217 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 -1.7770 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.5268 -2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 -0.8781 -2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 0.8192 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.0241 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4271 -2.2800 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 -1.8594 0.8261 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 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 8 1 0 28 11 1 0 25 12 1 0 23 17 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 6 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 6 12 45 1 1 13 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 1 18 51 1 0 18 52 1 0 19 53 1 6 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 24 59 1 0 24 60 1 0 24 61 1 0 25 62 1 6 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 29 67 1 0 29 68 1 0 29 69 1 0 M END