HMDB0000506 RDKit 3D alpha-Muricholic acid 69 72 0 0 0 0 0 0 0 0999 V2000 -4.7297 -1.3866 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7933 -0.2522 0.7673 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4669 1.0624 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7087 1.2096 1.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8809 0.4289 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0936 0.0532 -0.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8543 0.0414 2.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -0.4723 -0.0253 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7200 -0.4690 -1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 -0.3202 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -0.4153 -0.8203 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8903 0.0889 -0.8071 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7968 -0.5261 -1.8423 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9716 -1.8731 -1.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 0.2988 -1.8556 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7263 1.4797 -2.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.5802 -0.5107 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1032 0.3728 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7451 -0.5951 0.2820 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8963 -1.0978 -0.3304 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -1.7561 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -1.3820 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9574 -0.0440 0.6496 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2062 0.8770 1.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -0.1957 0.5507 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7161 0.7494 1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 0.2862 1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.3865 0.1619 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5852 1.7640 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5021 -1.6117 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9859 -1.3438 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 -2.3105 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 -0.4384 1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 1.2206 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 1.9079 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4812 1.1394 2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0267 2.3024 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7043 -0.8493 2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 -1.5508 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3011 0.3350 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 -1.4186 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 -1.2285 -2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 0.5972 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -1.4535 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.1805 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 -0.3587 -2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 -2.2696 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 -0.2341 -2.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 2.1639 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 1.7025 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3901 0.0534 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7019 1.3330 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0916 -0.1791 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -0.4361 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 -2.5236 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -2.1981 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6565 -1.4577 2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 -2.2158 0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2682 1.2327 1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 0.3393 2.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 1.8023 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 -1.2056 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 0.6808 2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 1.7840 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 -0.7661 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 0.9576 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 2.1149 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 2.4731 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 1.8356 -0.9512 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 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 6 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 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 6 14 47 1 0 15 48 1 6 16 49 1 0 17 50 1 1 18 51 1 0 18 52 1 0 19 53 1 1 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 1 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