HMDB0113756 RDKit 3D PE-NMe(11D3/11D3) 138139 0 0 0 0 0 0 0 0999 V2000 14.0308 -0.3629 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1999 0.8103 -2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2923 2.0161 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8603 1.6570 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6353 1.8976 0.4727 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4713 1.4950 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1904 1.6254 2.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 0.2806 2.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1759 -0.1928 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -1.5231 1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 -1.9887 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4341 -1.1462 -1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 -0.7732 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6609 -0.0026 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 0.2901 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 1.1317 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 1.3296 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 2.1287 -1.5671 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 0.6562 0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 0.7883 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