HMDB0113000 RDKit 3D PE-NMe(14:1(9Z)/18:2(9Z,12Z)) 118117 0 0 0 0 0 0 0 0999 V2000 -4.1975 0.7611 -4.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 0.2407 -5.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 -0.9975 -6.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 -2.1447 -5.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7748 -3.3225 -6.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6614 -3.9032 -5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 -3.4256 -4.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7158 -4.4799 -3.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -4.0552 -2.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -3.7534 -2.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -3.3480 -1.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7802 -3.0928 -2.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -2.7010 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 -1.4541 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 -0.3500 -0.9528 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 -1.3432 0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 -0.1997 1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 0.6798 1.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 -0.1362 3.0418 C 0 0 0 0 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