HMDB0113964 RDKit 3D PE-NMe2(16:1(9Z)/15:0) 122121 0 0 0 0 0 0 0 0999 V2000 -8.0565 3.6091 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 2.8408 1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8746 3.4826 2.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 2.7574 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7259 1.3091 2.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 0.6577 2.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 1.3124 3.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9531 0.7003 4.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.7096 5.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 -1.4131 5.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -0.8006 6.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -1.4680 6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 -1.3110 4.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 -1.9277 4.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1128 -1.7655 3.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 -0.3517 2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 0.5453 3.8645 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4734 0.0910 1.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 1.4900 1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.7222 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