HMDB0113811 RDKit 3D PE-NMe(9D3/11D5) 138139 0 0 0 0 0 0 0 0999 V2000 15.3412 3.6356 -1.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7747 3.8223 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7615 3.8446 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9119 2.6644 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0441 2.2250 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2284 1.0170 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9576 1.0616 0.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 -0.1425 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1531 -0.5320 1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3702 -1.2356 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 -0.3758 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 -1.0890 -2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 -1.4656 -1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2898 -0.2263 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -0.6167 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 0.5857 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 1.5376 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 0.9421 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 0.4267 -1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 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