HMDB0000138 RDKit 3D Glycocholic acid 76 79 0 0 0 0 0 0 0 0999 V2000 -2.7035 1.7836 -2.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8006 0.5192 -1.3727 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0960 0.4269 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3306 0.4660 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4815 0.3572 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6529 1.3169 0.4904 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 -0.6058 -0.5701 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4542 -0.7457 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0102 -1.1992 1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7902 -1.3900 1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8785 -1.4136 2.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 0.3164 -0.3993 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8974 -0.9997 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -1.6089 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.4301 0.2731 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8009 -0.6370 0.1104 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4344 0.7606 0.0224 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8760 1.3966 -1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 1.5402 -1.1209 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0506 2.3734 -0.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 0.2052 -0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2148 -0.6537 -2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 0.6859 0.0648 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4796 1.3900 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4117 1.4592 1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5636 0.8565 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5077 0.0778 1.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3042 -0.7003 1.9948 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9085 -0.8100 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 -0.7262 0.0034 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8082 -1.6573 0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 -1.3756 1.2943 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1761 -0.7314 2.4966 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2849 2.6353 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 2.1064 -2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 1.6187 -3.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -0.3197 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1285 -0.4856 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1605 1.2727 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3982 -0.3669 -2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4668 1.4596 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9989 1.3107 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8655 0.2898 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2506 -1.3629 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1232 -0.7237 3.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 1.1719 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5455 -1.6952 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -0.7819 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -2.0938 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -2.3202 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 0.2980 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -1.1640 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 1.3442 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 0.8343 -2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 2.4191 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 1.9985 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 3.3171 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.3292 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.0312 -3.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -1.3081 -2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 2.4800 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 0.9100 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 1.2507 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 1.5838 1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 2.5234 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 0.2865 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1548 1.7051 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2432 0.7643 0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 -0.2378 2.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.6349 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1396 -1.8957 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 -1.1039 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4053 -1.7768 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 -2.6931 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7582 -2.3369 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6752 0.0978 2.4711 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 1 0 5 7 2 3 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 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 6 17 23 1 0 23 24 1 6 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 21 12 1 0 30 23 1 0 21 15 1 0 32 16 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 6 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 1 18 54 1 0 18 55 1 0 19 56 1 6 20 57 1 0 22 58 1 0 22 59 1 0 22 60 1 0 24 61 1 0 24 62 1 0 24 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 27 68 1 6 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 6 31 73 1 0 31 74 1 0 32 75 1 1 33 76 1 0 M END