HMDB0061408 RDKit 3D PC(DiMe(13,5)/DiMe(11,3)) 157158 0 0 0 0 0 0 0 0999 V2000 15.1638 -4.9678 2.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0891 -4.4745 1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9506 -3.0543 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 -2.6512 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4115 -2.8554 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2830 -2.2991 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6376 -1.1946 0.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 -1.0234 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7808 0.1257 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3873 -0.2819 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4539 0.9009 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 0.5791 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 0.1371 1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6829 -0.1312 1.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -1.2089 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -1.3209 1.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 -2.3151 1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -2.2377 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0628 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 53 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 8 61 2 0 61 62 1 0 61 63 1 0 63 64 1 0 63 6 2 0 59 51 2 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 24100 1 0 24101 1 0 25102 1 0 26103 1 0 26104 1 0 30105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 35110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 37118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 56145 1 0 58146 1 0 58147 1 0 58148 1 0 60149 1 0 60150 1 0 60151 1 0 62152 1 0 62153 1 0 62154 1 0 64155 1 0 64156 1 0 64157 1 0 M CHG 1 34 1 M END