HMDB0113765 RDKit 3D PE-NMe(11D5/11D3) 144145 0 0 0 0 0 0 0 0999 V2000 -6.4677 1.5420 7.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4872 0.9436 6.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3437 1.6521 5.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2440 1.1995 4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0954 -0.1904 3.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8067 -0.5062 3.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5987 -0.4155 1.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -0.7467 1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 -0.7458 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -2.0411 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 -3.1073 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 -4.3820 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 -4.1263 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3737 -5.4287 -2.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 -5.1924 -4.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 -4.7682 -4.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -4.4818 -5.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 -3.3301 -6.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5457 -2.1201 -5.5384 C 0 0 0 0 0 0 0 0 0 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