HMDB0113020 RDKit 3D PE-NMe(15:0/18:2(9Z,12Z)) 123122 0 0 0 0 0 0 0 0999 V2000 2.3480 -7.3682 -3.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 -8.6387 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8202 -8.3596 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 -7.9706 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 -7.6906 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -6.5943 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 -5.4546 1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 -5.1060 1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 -3.8921 1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 -2.7874 1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 -2.5822 3.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -2.2449 3.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -0.9747 3.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -0.5871 3.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 0.7239 2.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2185 1.1894 3.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5629 2.4842 2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6112 2.4509 1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6005 1.9284 0.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 44115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END