HMDB0116185 RDKit 3D CDP-DG(i-13:0/i-22:0) 154155 0 0 0 0 0 0 0 0999 V2000 -1.2495 1.1394 -6.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 -0.3718 -6.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1402 -0.9215 -5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -0.8255 -5.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 -0.4063 -4.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -0.8829 -3.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -0.5381 -2.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4109 -1.0955 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8733 -0.6474 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 -1.1159 1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6271 -0.6869 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 -1.2269 2.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.7901 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -1.3912 3.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5613 -1.2844 3.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2842 -0.0452 4.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3031 0.9596 3.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2199 2.1441 3.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 3.1125 2.3554 C 0 0 0 0 0 0 0 0 0 0 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