HMDB0061439 RDKit 3D PC(MonoMe(11,3)/DiMe(9,5)) 142143 0 0 0 0 0 0 0 0999 V2000 -8.2259 5.5952 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1976 5.6607 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9318 4.2386 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 4.2807 -2.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5481 2.9416 -2.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9668 1.9999 -1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8499 2.1244 -0.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2737 1.0849 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 0.9786 1.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 1.6063 2.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 3.0808 1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 3.9166 2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 3.7735 1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 3.8861 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 3.9066 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 2.7536 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 1.4596 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1325 0.8914 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 0.7693 0.1518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 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6 7 1 0 7 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 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 37 41 2 0 41 42 1 0 42 43 1 0 20 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 42 35 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 40116 1 0 41117 1 0 43118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 48123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 53128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 57137 1 0 57138 1 0 57139 1 0 59140 1 0 59141 1 0 59142 1 0 M CHG 1 52 1 M END