HMDB0061513 RDKit 3D PE(DiMe(9,5)/MonoMe(11,5)) 138139 0 0 0 0 0 0 0 0999 V2000 -17.5123 3.9730 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4807 3.4240 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0939 1.9881 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5302 1.8921 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1537 0.4807 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1303 0.0178 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2845 -0.6479 -1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0039 -0.8308 -1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6328 -1.5092 -3.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1617 -0.2563 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6372 -0.1768 -1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2335 0.7898 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8373 1.1952 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7637 0.2170 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4014 -0.6640 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -1.6680 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 -1.0120 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 -0.0636 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -0.6342 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 -1.7213 -1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -1.1461 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 0.0903 -0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 -1.8807 -0.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.2333 0.5411 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7326 -1.4327 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 -0.7717 0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -0.7009 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 -1.2595 -0.3638 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 0.0622 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8015 1.5020 1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 2.4647 2.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9475 2.4540 2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 2.7141 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 1.8660 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5941 0.5022 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0017 0.3192 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0302 0.8770 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6213 0.1164 -1.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4770 0.8074 -1.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 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