HMDB0000419 RDKit 3D 3b,7a,12a-Trihydroxy-5b-cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 4.6742 -0.7498 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -0.6946 0.0896 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1909 -0.3386 -1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2109 -1.2727 -1.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4348 -1.4370 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 -2.4275 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3968 -0.4136 -1.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 0.0718 0.5843 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7256 1.4842 1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 2.1048 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 0.9250 0.8033 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9500 1.1687 0.4183 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5384 -0.1208 -0.1135 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7331 -0.7531 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.0867 -0.6562 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5930 -2.0288 0.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 0.1994 -0.2654 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3971 1.1094 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 0.1910 -0.5484 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9727 1.4421 -1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 -0.9189 -1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0723 -0.8078 -1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5442 -1.2616 -0.0002 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6922 -0.5696 0.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 -0.9978 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 0.3548 0.7343 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8967 0.6083 1.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 1.5055 1.6927 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9005 1.3897 2.8334 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6179 -0.2186 0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8173 -1.7720 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 -0.1732 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2756 -1.7698 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 -0.3432 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 0.6921 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 -2.2815 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5711 -0.9282 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 0.5436 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 -0.4624 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 2.0807 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 1.5480 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 2.5774 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 2.8970 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 0.2948 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 2.0188 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5575 -0.8369 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 -1.7065 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 -0.1658 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.5078 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 -1.6746 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 0.5905 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 1.7388 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 1.8508 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8528 1.3805 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 1.4492 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 2.3680 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 -1.9209 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -0.7725 -2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4556 -1.5120 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4321 0.2147 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7534 -2.3587 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -0.8198 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8131 -0.9919 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 -1.7633 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 1.1655 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5842 -0.3442 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 1.1245 2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 2.5479 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.5653 3.3416 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 6 13 19 1 0 19 20 1 6 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 28 29 1 0 17 8 1 0 26 19 1 0 17 11 1 0 28 12 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 1 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 1 12 45 1 6 13 46 1 1 14 47 1 0 14 48 1 0 15 49 1 6 16 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 20 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 6 24 62 1 0 25 63 1 0 25 64 1 0 26 65 1 6 27 66 1 0 27 67 1 0 28 68 1 6 29 69 1 0 M END