HMDB0113762 RDKit 3D PE-NMe(11D3/9D3) 132133 0 0 0 0 0 0 0 0999 V2000 -8.8995 3.3319 -3.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6294 2.5932 -3.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3225 2.8292 -5.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 2.1232 -5.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9852 1.0099 -6.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 0.6595 -6.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2284 -0.5432 -7.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 -1.7012 -6.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -1.4544 -5.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 -2.7371 -4.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -2.4751 -3.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.9487 -3.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -1.6598 -2.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 -2.9172 -1.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -2.5667 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -3.6936 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 -3.1423 1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0148 -1.8866 1.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4734 -3.8923 2.3234 O 0 0 0 0 0 0 0 0 0 0 0 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