HMDB0010330 RDKit 3D Cholesterol glucuronide 94 98 0 0 0 0 0 0 0 0999 V2000 10.1026 2.1466 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5538 0.8435 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3631 -0.2820 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0994 0.6557 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5373 -0.6260 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 -0.8820 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 0.0576 0.3664 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1279 1.4336 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -0.6975 0.1597 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8391 -1.8941 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -1.9038 1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -1.2949 0.7013 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2597 -0.9246 0.9702 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4793 -2.0866 1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 -1.7301 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -0.8154 0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9546 -0.6294 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 -0.0843 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7403 0.6984 0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 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1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6851 1.9906 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8416 2.5359 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3183 2.9117 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5906 0.7871 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3685 0.0893 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 -0.7529 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4327 -1.0872 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5655 1.5563 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 0.7332 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 -0.7792 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1892 -1.4404 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 -0.9954 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 -1.9236 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 0.1398 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3767 2.2220 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 1.6600 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 1.7772 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 -1.0957 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 -1.7814 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -2.8145 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 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37 1 0 37 38 1 0 38 39 1 0 39 40 1 1 39 9 1 0 39 12 1 0 36 13 1 0 34 16 1 0 30 20 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 6 53 1 0 7 54 1 1 8 55 1 0 8 56 1 0 8 57 1 0 9 58 1 6 10 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 6 13 64 1 1 14 65 1 0 14 66 1 0 15 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 20 71 1 6 22 72 1 6 25 73 1 0 26 74 1 1 27 75 1 0 28 76 1 6 29 77 1 0 30 78 1 1 31 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 35 84 1 0 35 85 1 0 35 86 1 0 36 87 1 6 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 40 92 1 0 40 93 1 0 40 94 1 0 M END