HMDB0002082 RDKit 3D Bisnorcholic acid 63 66 0 0 0 0 0 0 0 0999 V2000 5.1379 -0.5845 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 -0.3623 0.4711 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6361 -1.5764 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -2.6158 0.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -1.6307 2.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.2859 0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3514 1.7001 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 2.2488 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 1.0878 0.1829 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2284 0.9024 -0.4290 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9430 -0.0615 0.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0099 -1.0950 0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2114 -1.3132 0.0862 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9173 -2.3608 0.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9752 -0.1159 -0.2685 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0471 0.0407 -1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 -0.5050 -0.0227 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1522 -1.2802 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9759 -1.3589 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3785 -1.7095 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1679 -0.4892 0.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4449 -0.4872 0.7018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3736 0.7161 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0941 0.7165 -0.2822 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3824 2.0065 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 2.1452 -0.5947 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4211 3.2674 -0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8004 -1.5051 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.3060 -1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 -0.8342 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 0.3789 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 -1.3556 3.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 0.4981 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 2.3102 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 1.5602 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 2.7763 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 2.9998 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 0.9880 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 0.3743 -1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.5923 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -0.8588 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4507 -2.1010 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -1.7729 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 -3.1108 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -0.6750 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 1.0342 -2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -0.1830 -2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 -1.5752 -1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -2.2137 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 -0.6503 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4716 -2.3537 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 -0.8686 1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -2.5042 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 -2.1224 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2688 -0.4990 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0718 -0.8681 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 0.7477 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9156 1.6390 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 0.7889 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 2.8250 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 2.2204 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 2.3765 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 4.0643 -0.6705 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 2 6 1 0 6 7 1 0 7 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 6 11 17 1 0 17 18 1 6 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 15 6 1 0 24 17 1 0 15 9 1 0 26 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 1 5 32 1 0 6 33 1 1 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 1 10 39 1 6 11 40 1 1 12 41 1 0 12 42 1 0 13 43 1 6 14 44 1 0 16 45 1 0 16 46 1 0 16 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 6 22 56 1 0 23 57 1 0 23 58 1 0 24 59 1 6 25 60 1 0 25 61 1 0 26 62 1 6 27 63 1 0 M END