HMDB0284996 RDKit 3D PE(DiMe(9,3)/LTE4) 139139 0 0 0 0 0 0 0 0999 V2000 -13.8579 2.9815 2.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9309 2.0709 1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5878 1.7140 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7938 0.8030 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5088 1.2842 -1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4659 1.6896 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8751 2.8733 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1458 3.9978 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1738 4.5750 -2.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9801 4.1803 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3255 3.0241 -1.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0797 2.7083 -2.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4249 1.5190 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 1.1957 -1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 0.0480 -1.4715 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7594 0.3421 -1.0829 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 1.3852 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 0.7895 1.6160 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1575 1.7592 2.6674 N 0 0 0 0 0 0 0 0 0 0 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