HMDB0000733 RDKit 3D Hyodeoxycholic acid 68 71 0 0 0 0 0 0 0 0999 V2000 -4.5249 -1.1250 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -0.1297 0.3534 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2267 1.2588 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7405 1.4518 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0002 2.8009 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9104 2.9868 -2.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3397 3.8684 -0.0569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 -0.3314 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4920 -1.6451 1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -2.2634 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 -1.0254 0.7686 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9073 -1.1733 0.1613 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7755 -1.8499 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 -1.8078 0.9476 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8781 -2.0104 2.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 -0.4595 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 -0.3146 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 1.1826 0.3114 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3963 1.4045 1.6941 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 2.0307 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 1.2762 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 0.0538 -0.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7513 -0.9767 -1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4447 0.2302 -0.1040 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5159 1.0754 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 1.1182 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4406 -0.2601 -0.0836 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5919 -0.8685 -1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 -2.1589 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 -0.7503 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6351 -1.2159 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -0.1630 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8678 2.0359 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8405 1.3452 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1461 0.6564 -1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1807 1.3048 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6606 4.3444 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 0.4575 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3637 -1.5372 2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -2.3121 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -2.9150 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3516 -2.8969 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -0.4136 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -1.8105 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5867 -1.2664 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3596 -2.8549 1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 -2.6437 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -2.9480 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 0.2588 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 -0.8278 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 -0.6793 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 1.4327 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 2.3578 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 2.5434 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 2.8322 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 2.0153 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 0.9834 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 -0.8040 -2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8385 -0.8924 -2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -2.0049 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5518 0.6901 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.8550 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 2.1368 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 1.7846 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 1.5253 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -0.1601 -2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9807 -1.8813 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 -0.9207 -1.8888 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 14 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 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 6 27 8 1 0 27 11 1 0 24 12 1 0 22 16 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 1 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 1 12 44 1 6 13 45 1 0 13 46 1 0 14 47 1 6 15 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 6 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 23 58 1 0 23 59 1 0 23 60 1 0 24 61 1 1 25 62 1 0 25 63 1 0 26 64 1 0 26 65 1 0 28 66 1 0 28 67 1 0 28 68 1 0 M END