HMDB0061630 RDKit 3D PS(MonoMe(9,5)/MonoMe(11,5)) 138139 0 0 0 0 0 0 0 0999 V2000 4.3297 -5.6415 -1.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2415 -6.6687 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 -6.1631 -1.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -7.2179 -1.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4514 -6.7880 -2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -5.5851 -1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 -5.6630 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 -4.3826 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 -3.9903 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 -3.5513 -1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 -2.0722 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -1.3672 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0134 0.0995 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 0.8639 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 2.3089 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 3.1833 1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 3.4055 1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 4.2856 2.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 4.6975 1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 3.6557 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 2.6700 2.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 2.6894 3.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 1.6625 2.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 0.6347 3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 0.5699 4.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 0.4486 4.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 0.3937 5.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 0.4604 6.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 0.2728 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 0.1905 4.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 0.0636 4.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -0.0292 3.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4396 -0.1412 3.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3053 -0.2746 2.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1227 0.8979 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9804 0.8301 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6519 2.0540 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9127 2.0862 -1.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 3.2911 -2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0596 3.7439 -3.3088 C 0 0 0 0 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1 0 45126 1 0 47127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 52132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 56137 1 0 59138 1 0 M END