HMDB0061394 RDKit 3D PC(DiMe(11,3)/DiMe(9,5)) 145146 0 0 0 0 0 0 0 0999 V2000 -3.6635 -5.1433 -3.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -5.2122 -3.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -6.5139 -2.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4662 -6.8623 -2.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 -5.9881 -1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4843 -4.6263 -2.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -4.1346 -3.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 -2.8546 -3.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -2.0972 -4.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 -1.9986 -5.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -1.3116 -4.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 -1.4030 -5.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -0.8137 -4.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 0.5774 -4.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 1.7018 -4.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 2.2860 -4.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 3.4941 -3.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 4.6298 -4.1286 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6646 3.4816 -2.2943 O 0 0 0 0 0 0 0 0 0 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0 25 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 40117 1 0 42118 1 0 42119 1 0 42120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 49126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 54131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 60143 1 0 60144 1 0 60145 1 0 M CHG 1 53 1 M END