HMDB0240607 RDKit 3D Glycohyocholic acid 76 79 0 0 0 0 0 0 0 0999 V2000 2.9482 -2.2202 -0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 -0.7542 -0.4862 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9644 -0.2555 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 -0.5608 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3827 -0.0450 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0703 0.5465 1.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7313 -0.2296 0.2999 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8002 0.2671 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1238 -0.0381 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2101 -0.6512 -0.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2725 0.3514 1.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -0.1995 0.0545 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7182 1.3335 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 1.8849 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 0.6908 0.0617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9260 0.7216 -0.3268 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6234 1.9243 0.2029 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2803 2.0810 1.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1134 1.9020 0.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7013 2.2559 1.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 0.5900 -0.5258 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0553 0.4772 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7651 0.1801 0.6565 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1825 1.3729 1.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -0.7234 1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 -0.6296 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 -0.6035 0.1857 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4951 -1.8314 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5061 -0.5584 0.2977 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8536 -1.7012 -0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 -1.6692 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 -0.3844 -0.6751 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4315 0.1178 -2.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 -2.7529 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 -2.4071 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -2.7257 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 -0.3140 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -0.6740 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9182 0.8564 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -0.0918 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -1.6564 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9916 -0.7249 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7261 1.3697 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6505 -0.2226 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3295 1.0445 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 -0.4731 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 1.6740 -0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 1.6728 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 2.3989 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.6502 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 0.3944 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1509 0.6385 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 2.8165 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 3.0647 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 2.6875 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7278 3.2373 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1807 0.5398 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 -0.2732 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4619 1.4509 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7369 -0.3320 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5485 1.2112 2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4172 -1.7889 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3861 -0.4335 2.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 0.1938 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 -1.5729 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 -2.7645 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4113 -1.6835 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6062 -1.8774 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1611 -0.5212 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 -2.6275 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 -1.8890 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.2835 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 -2.2503 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3491 -0.7247 -2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 0.6927 -2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 0.8293 -2.3805 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 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 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 6 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 6 32 12 1 0 32 15 1 0 29 16 1 0 27 21 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 11 45 1 0 12 46 1 1 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 1 16 52 1 6 17 53 1 6 18 54 1 0 19 55 1 6 20 56 1 0 21 57 1 6 22 58 1 0 22 59 1 0 23 60 1 6 24 61 1 0 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 29 69 1 1 30 70 1 0 30 71 1 0 31 72 1 0 31 73 1 0 33 74 1 0 33 75 1 0 33 76 1 0 M END