HMDB0061501 RDKit 3D PE(DiMe(9,3)/DiMe(9,3)) 123124 0 0 0 0 0 0 0 0999 V2000 -14.8932 -0.6233 1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7190 0.0477 0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4654 1.4404 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2881 2.0232 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0828 2.1283 1.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2832 2.6827 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8291 2.9850 0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9988 1.9726 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2245 0.5771 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8618 0.4481 1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4259 0.7484 1.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5077 -0.1854 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 0.0313 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6803 -0.1018 2.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 0.0971 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 0.6075 3.9391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -0.3027 1.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -0.2002 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4592 -0.8005 0.5542 C 0 0 2 0 0 0 0 0 0 0 0 0 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0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 47112 1 0 47113 1 0 47114 1 0 49115 1 0 49116 1 0 49117 1 0 51118 1 0 51119 1 0 51120 1 0 53121 1 0 53122 1 0 53123 1 0 M END