HMDB0000361 RDKit 3D 3b,7a-Dihydroxy-5b-cholanoic acid 68 71 0 0 0 0 0 0 0 0999 V2000 3.8786 1.0461 1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7733 -0.1102 0.8431 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0649 -0.1707 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 1.1152 -0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5653 1.0608 -1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3286 0.0702 -1.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.1441 -2.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 -0.1763 -0.0568 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7403 -1.4288 -0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3487 -2.0323 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 -0.8740 -0.6193 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9269 -1.1432 -0.3179 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5479 0.1531 0.1217 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7971 0.8656 1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 1.1272 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.2402 0.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1714 -0.9798 1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 0.0088 0.4843 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2455 -0.9799 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 1.3666 0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 1.3817 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6091 1.2181 -0.2056 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6829 0.3259 -0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5954 0.8262 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7415 -0.3471 -0.7899 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8202 -0.6953 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 -1.6462 -1.4915 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9321 -1.8651 -2.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 2.0054 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 0.8487 2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9541 1.2681 1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 -1.0427 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 -1.0447 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -0.2746 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 1.2894 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 1.9495 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 2.7451 -1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 0.6967 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0711 -1.1767 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4693 -2.1570 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -2.8372 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 -2.4541 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -0.1404 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -1.9341 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.8310 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 0.3610 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 1.8738 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6022 1.7165 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 1.7180 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 -1.4453 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -1.7894 1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 -0.2358 2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -1.1878 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -0.5318 2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -1.9397 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 1.4220 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 2.1979 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2285 2.4006 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 0.6096 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0442 2.1943 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5651 -0.4515 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 0.4674 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 1.6967 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 -1.1907 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 0.1721 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 -1.2844 -2.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 -2.6150 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0846 -2.7516 -3.0399 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 1 13 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 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 1 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 7 37 1 0 8 38 1 6 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 6 12 44 1 1 13 45 1 6 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 22 60 1 6 23 61 1 0 24 62 1 0 24 63 1 0 25 64 1 1 26 65 1 0 26 66 1 0 27 67 1 1 28 68 1 0 M END