HMDB0041300 RDKit 3D PRE 112117 0 0 0 0 0 0 0 0999 V2000 -3.5001 1.3859 1.7256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 0.6015 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 0.2493 2.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 0.6337 4.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 1.4331 4.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 2.3754 5.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 3.1120 6.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2195 2.9915 5.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 3.7660 6.2896 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5033 2.0689 4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 1.3061 4.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 0.0835 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 -0.7642 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 -1.2578 1.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.2642 -1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1361 -2.2138 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 -2.6546 -2.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -2.1897 -3.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6665 -3.6209 -3.4084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -1.5700 -1.1581 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