HMDB0061418 RDKit 3D PC(DiMe(9,3)/DiMe(11,5)) 145146 0 0 0 0 0 0 0 0999 V2000 2.4211 -2.8645 -6.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 -3.3615 -5.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 -4.6862 -5.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -5.0966 -4.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 -6.4281 -4.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 -6.7331 -2.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -7.5676 -2.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5361 -7.5524 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 -8.3794 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9205 -7.5844 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4554 -7.0478 1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -6.2524 2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -5.6943 1.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 -4.9225 3.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -4.3026 3.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 -3.3542 2.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 -2.0606 1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 -2.1947 1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7902 -0.8728 1.2007 C 0 0 0 0 0 0 0 0 0 0 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23 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