HMDB0113817 RDKit 3D PE-NMe(9D3/9D5) 132133 0 0 0 0 0 0 0 0999 V2000 2.2409 4.5009 4.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 4.0956 5.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 4.2812 6.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 3.6017 7.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 2.1568 7.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 1.2429 6.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5476 0.8389 6.8193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 0.0204 5.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 -0.5626 5.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 0.2378 4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 -0.3011 4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6829 0.3984 2.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 0.4019 1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 0.9744 1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7349 2.4281 1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 2.8996 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 2.8343 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 3.8975 -1.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 1.7269 -1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 1.8541 -2.5274 C 0 0 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