HMDB0061603 RDKit 3D PS(MonoMe(11,3)/MonoMe(11,5)) 138139 0 0 0 0 0 0 0 0999 V2000 -3.6593 4.5881 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0158 5.9900 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 6.0556 -1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 5.7656 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 6.7792 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 6.5244 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 7.0356 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 6.5244 -2.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 6.8116 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 5.7079 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 4.9251 -0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1882 5.7299 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3209 4.8318 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 4.1440 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0762 3.1917 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7874 2.4733 -1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7608 1.4716 -0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0142 0.4628 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8515 -0.6924 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8691 -1.5552 1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 -1.9563 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9911 -2.0024 -0.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4748 -2.2741 0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.5711 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 -3.9068 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -4.0699 -0.7849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -5.1001 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 -6.0541 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -5.0707 -2.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -4.2834 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -4.9072 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -3.9905 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 -2.7571 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -1.6738 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 -1.9024 1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9469 -2.6982 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4217 -2.0122 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5399 -2.7907 -0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9637 -2.0655 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7085 -2.3709 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