HMDB0061562 RDKit 3D PS(DiMe(11,5)/DiMe(11,5)) 150151 0 0 0 0 0 0 0 0999 V2000 -3.8100 -0.5500 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3573 -0.2878 2.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 -1.2525 2.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 -1.0810 1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 0.3008 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 0.5815 0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 1.2545 -0.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 1.3571 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 2.0883 -2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 3.4908 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 4.5003 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 5.8848 -2.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 6.6032 -1.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 5.8438 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 6.6297 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 5.6863 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 4.5238 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 5.0453 -1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 4.0365 -2.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 4.1656 -3.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 2.9411 -3.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1763 2.1990 -4.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 1.0946 -4.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 1.5555 -5.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 0.5458 -6.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 0.8688 -7.6341 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3938 -0.2736 -8.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6305 1.0758 -6.7176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 2.2728 -8.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 2.0591 -9.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 3.3426 -10.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1961 3.7358 -10.9377 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 4.3885 -9.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 4.1955 -8.5053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 5.5534 -9.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -0.1281 -4.3872 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 -1.3252 -4.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 -1.1261 -5.8778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 -2.6817 -4.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -3.1726 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