HMDB0061453 RDKit 3D PC(MonoMe(13,5)/DiMe(11,3)) 154155 0 0 0 0 0 0 0 0999 V2000 -2.3220 -4.0428 -2.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 -3.7010 -3.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -4.7313 -2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 -4.5501 -2.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -5.6827 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4793 -5.6245 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2477 -6.5821 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -6.2235 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 -6.9898 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5704 -5.0677 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 -4.3404 -1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4653 -3.5747 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -2.5097 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 -1.7451 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4498 -0.7084 1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1365 0.1607 2.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 1.1595 3.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 0.5283 3.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0329 1.6057 4.2293 C 0 0 0 0 0 0 0 0 0 0 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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 56 57 1 0 57 58 1 0 55 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 10 63 1 0 63 6 1 0 61 53 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 7 75 1 0 9 76 1 0 9 77 1 0 9 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 26103 1 0 26104 1 0 27105 1 0 28106 1 0 28107 1 0 32108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 37113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 39121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 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 M CHG 1 36 1 M END