HMDB0009782 RDKit 3D PI(16:0/18:1(11Z)) 138138 0 0 0 0 0 0 0 0999 V2000 -3.6023 -0.5434 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 0.3192 -3.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 1.2425 -2.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 0.4234 -2.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 1.4075 -2.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 0.6622 -2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 -0.1661 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 0.0133 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 1.0128 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 0.4102 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 -0.3529 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9321 -0.9829 2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -1.6050 3.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1566 -2.6776 3.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7239 -2.4037 4.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 -3.6659 4.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -3.3206 4.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 -2.8797 3.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -1.6553 3.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 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1 1 48129 1 0 49130 1 0 50131 1 0 51132 1 0 52133 1 0 53134 1 0 54135 1 6 55136 1 0 56137 1 0 57138 1 0 M END