HMDB0061598 RDKit 3D PS(MonoMe(11,3)/DiMe(11,5)) 141142 0 0 0 0 0 0 0 0999 V2000 -13.2046 5.9942 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8261 4.7985 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4118 3.9052 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0610 2.6854 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1188 1.8331 1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9833 1.2934 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7544 1.7391 0.7676 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9597 1.0544 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5134 1.3087 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6321 0.4238 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7524 -1.0413 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8817 -1.8460 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4538 -1.5495 1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5896 -1.7085 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8318 -0.8734 -1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8253 -1.2027 -2.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -0.9423 -1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 -1.2449 -2.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 -0.9535 -2.2415 C 0 0 0 0 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