HMDB0061473 RDKit 3D PE(DiMe(11,3)/DiMe(13,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -0.2199 1.3319 -8.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 1.2846 -7.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 0.6293 -6.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -0.7691 -7.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -1.6990 -6.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.8474 -5.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 -1.3642 -4.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 -1.6803 -3.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -1.3494 -1.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 -0.3612 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 1.0480 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 1.3126 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 2.8455 -2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 3.2456 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 2.9662 -4.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6148 3.5306 -3.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0644 3.3935 -2.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 3.8049 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9414 5.2441 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 5.5942 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 4.8461 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 3.6498 0.8854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 5.3158 0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7894 4.4736 0.9516 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0634 5.0745 2.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 4.1223 2.5981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 2.9255 3.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 2.6978 3.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 1.9053 3.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 0.8141 4.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 -0.3093 4.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -1.3409 5.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 -2.4746 6.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 -3.4967 6.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -4.6682 7.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 -5.4938 6.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -5.9995 5.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 -6.8484 4.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 -6.0503 3.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 -6.1641 4.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2226 -5.3285 3.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6871 -5.1707 3.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0027 -3.9579 4.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3217 -4.1700 6.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -4.6016 2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8957 -3.5112 1.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1414 -5.0575 2.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 -4.5393 2.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 4.2310 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 3.4248 0.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 3.1286 -0.9853 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6324 3.8161 -0.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 3.8398 -2.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 1.4891 -1.1468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6399 1.3954 -2.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 -0.0391 -2.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.6240 -1.2719 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 -2.4587 -3.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -3.0595 -2.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -2.5537 -4.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 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