HMDB0000377 RDKit 3D 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 70 73 0 0 0 0 0 0 0 0999 V2000 -3.9199 -2.0295 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -1.0719 0.0602 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1320 -0.3180 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4181 0.4399 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 1.1713 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3637 1.0845 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1111 1.9139 -2.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 -0.0851 0.0364 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9070 0.7351 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 0.9733 1.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 0.7178 0.7158 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7698 0.6101 0.9789 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5325 -0.0589 -0.1262 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8570 -1.2857 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.9182 -1.0460 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0061 -2.0018 -1.7627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -0.5711 0.1834 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2216 -1.6704 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 -0.3552 0.3766 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9156 -1.2130 1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 -1.0570 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1212 -1.2781 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7354 -0.0819 0.2280 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9979 0.1491 -0.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8449 1.1136 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 0.9510 0.7382 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7046 2.1383 0.4817 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3569 3.2533 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 2.0094 1.1203 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3502 2.4241 2.4498 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0002 -2.3607 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 -2.9817 -0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -1.5989 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 -1.6634 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1585 0.4138 0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9403 -1.0501 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 1.1950 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4843 -0.2293 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0893 1.4773 -3.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7762 0.6431 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 1.7274 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 0.1768 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 0.2291 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 1.9807 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 1.4970 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.0996 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 0.6496 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 -2.1208 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -1.6539 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 -0.0500 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -2.8772 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 -1.6377 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -1.5653 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 -2.6637 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 -0.6036 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 -1.6761 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -1.9758 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -0.4967 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -2.0806 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -2.2001 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6422 -1.4560 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -0.2566 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 0.7443 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 1.1104 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 2.0192 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 0.9961 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 2.3916 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 4.0627 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6757 2.7195 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 3.3761 2.5414 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 15 17 1 0 17 18 1 1 13 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 17 8 1 0 26 19 1 0 17 11 1 0 29 12 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 1 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 7 39 1 0 8 40 1 6 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 6 12 46 1 1 13 47 1 6 14 48 1 0 14 49 1 0 15 50 1 6 16 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 20 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 1 24 63 1 0 25 64 1 0 25 65 1 0 26 66 1 1 27 67 1 6 28 68 1 0 29 69 1 6 30 70 1 0 M END