HMDB0000503 RDKit 3D 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid 66 69 0 0 0 0 0 0 0 0999 V2000 3.7289 -1.9298 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 -0.7747 -0.4821 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8574 -0.0285 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5526 0.6095 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1733 -0.1899 1.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4406 -1.4006 1.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 0.3780 2.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.0816 -0.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4228 1.3395 -1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 1.9572 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 0.9021 -0.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1195 0.8871 -0.2302 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7721 -0.3806 0.2651 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0090 -1.6049 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 -1.5242 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0437 -0.3698 -0.5314 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8666 -0.5053 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 -0.3907 -0.3373 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1152 -0.5110 -1.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9773 -1.5626 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6872 -1.2628 1.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6451 -0.1719 1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7167 -0.0439 1.7975 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2884 0.8581 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 0.9472 -0.0294 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0751 1.6674 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 2.0190 0.6325 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8612 2.0935 1.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 -2.6611 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7857 -2.5246 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -1.6236 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 -1.2474 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 0.6627 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -0.8122 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4124 1.2142 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 1.3593 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 0.3192 2.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 0.4915 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 1.0699 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 2.0382 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 2.2477 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1969 2.8962 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.9670 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 1.1096 -1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -0.3013 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3564 -2.3938 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 -2.0738 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 -1.5629 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 -2.4839 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 0.4005 -2.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 -0.6955 -2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 -1.3773 -2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -1.2616 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -0.7103 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 0.4466 -2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -1.7692 -0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 -2.4426 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 -1.0890 2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2786 -2.1734 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8069 0.7079 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6072 1.8587 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 1.6388 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 2.6451 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 1.1687 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 2.9941 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.8785 2.5975 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 16 8 1 0 25 18 1 0 16 11 1 0 27 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 6 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 7 37 1 0 8 38 1 1 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 1 12 44 1 6 13 45 1 1 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 17 50 1 0 17 51 1 0 17 52 1 0 19 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 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 6 28 66 1 0 M END