HMDB0113555 RDKit 3D PE-NMe(22:1(13Z)/22:0) 158157 0 0 0 0 0 0 0 0999 V2000 -3.9004 1.7962 -0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 0.3971 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8872 0.6424 0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -0.5487 1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -0.3586 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 0.0882 3.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 1.5210 3.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 2.1391 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 1.4020 3.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9615 1.8165 3.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 2.9664 2.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 2.7956 1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6611 3.7540 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8096 3.2765 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4511 3.9079 -1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 3.0695 -2.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 2.9505 -3.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7819 2.6013 -5.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 1.7138 -5.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 2.2828 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