HMDB0113814 RDKit 3D PE-NMe(9D3/13D5) 144145 0 0 0 0 0 0 0 0999 V2000 7.7237 -3.4451 -2.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3378 -4.0450 -2.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -3.3066 -3.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2341 -1.8647 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 -1.2595 -3.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0162 0.1809 -3.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.6995 -3.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0138 1.9890 -2.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 2.9563 -2.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 3.6876 -3.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 4.6327 -2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 5.4142 -4.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 4.7043 -5.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 3.8126 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 2.5865 -4.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3234 1.7227 -3.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5395 1.9957 -3.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2992 3.2386 -3.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 4.4262 -2.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 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