HMDB0061438 RDKit 3D PC(MonoMe(11,3)/DiMe(9,3)) 136137 0 0 0 0 0 0 0 0999 V2000 -5.8208 -2.3653 3.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9571 -0.8609 3.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3785 -0.2563 2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4986 1.2228 2.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0392 1.9886 3.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 3.3295 2.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4114 4.4913 3.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3446 3.2864 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 4.4803 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8273 5.2225 1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 4.3298 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 3.8617 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 2.9541 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 3.6521 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 2.6804 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 3.2759 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 3.7216 2.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 4.3274 2.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9278 3.4945 2.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0616 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23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 49 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 8 57 1 0 57 4 1 0 55 47 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 5 65 1 0 7 66 1 0 7 67 1 0 7 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 0 22 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 28 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 35107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 54131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 1 32 1 M END