HMDB0113570 RDKit 3D PE-NMe(22:2(13Z,16Z)/18:1(9Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -4.3099 3.2979 -1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 3.5263 -2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 3.6868 -3.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9279 3.9320 -5.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 2.7631 -5.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 2.9984 -6.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 3.0733 -7.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 2.9380 -6.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 2.6291 -5.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 3.4315 -4.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 4.7206 -4.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 5.9024 -3.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 5.7285 -2.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 6.9447 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 6.8802 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 6.7462 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1713 6.7730 1.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 5.7932 2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 4.3295 2.4284 C 0 0 0 0 0 0 0 0 0 0 0 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