HMDB0000432 RDKit 3D 3a,7b,12a-Trihydroxy-5a-Cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 4.6646 -1.3476 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 -0.2902 -0.1425 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2492 1.1140 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 1.4092 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0137 2.8109 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6568 3.2285 1.7141 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6892 3.6625 -0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -0.5524 -0.5523 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4802 -1.8152 -1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -2.2950 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 -1.1052 -0.6269 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9723 -1.1884 -0.0901 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8983 -2.0005 -0.9217 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2605 -3.1967 -0.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 -1.3769 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5207 -0.0456 -0.9396 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0107 0.1044 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5285 1.0095 0.1529 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7416 1.5619 -0.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6107 2.1513 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 1.7804 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 0.3356 0.3933 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3558 -0.4951 1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 0.2431 0.1231 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5054 0.8675 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 0.8595 0.6481 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9729 1.6614 -0.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4405 -0.5415 0.3404 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5229 -1.2949 1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 -1.0341 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7843 -2.2750 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 -1.7168 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -0.3487 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 1.3346 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 1.7816 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 1.2730 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 0.7709 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 3.3080 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3413 0.2704 -1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -1.6729 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 -2.6565 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 -3.2234 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.4535 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 -0.3204 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -1.6448 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -2.4037 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 -3.1655 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -1.3100 -2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0211 -2.0589 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 0.7443 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3592 0.4646 -1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4621 -0.9045 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 0.4124 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8952 1.3723 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0437 2.7272 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6548 2.8415 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 1.9545 1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 2.4606 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8121 0.1423 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0772 -1.2431 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -1.0659 2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2313 0.7549 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 0.4203 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7901 1.9572 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 1.2702 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 2.2548 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 -2.3392 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -1.2300 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -0.7033 2.3178 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 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 1 28 8 1 0 28 11 1 0 24 12 1 0 22 16 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 6 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 6 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 6 17 51 1 0 17 52 1 0 18 53 1 1 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 23 59 1 0 23 60 1 0 23 61 1 0 24 62 1 6 25 63 1 0 25 64 1 0 26 65 1 1 27 66 1 0 29 67 1 0 29 68 1 0 29 69 1 0 M END