HMDB0061607 RDKit 3D PS(MonoMe(11,5)/DiMe(11,5)) 147148 0 0 0 0 0 0 0 0999 V2000 4.2167 -2.9547 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 -3.7750 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -5.2140 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -5.7988 -1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9154 -5.4096 -2.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9783 -4.0679 -3.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -3.3812 -3.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 -2.2010 -4.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 -1.1216 -4.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3318 -2.1849 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5314 -1.0306 -4.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -1.0284 -6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 0.1184 -6.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 1.4077 -6.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 2.6233 -6.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 2.7541 -6.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9559 2.8551 -4.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6426 4.0187 -4.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 5.3267 -4.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 6.4573 -4.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 6.5057 -2.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 7.2390 -1.9694 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 5.7893 -2.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 5.9033 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 5.0690 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 5.1870 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 6.5329 1.6479 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 6.6839 3.3274 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2811 8.0736 3.7304 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 6.3922 3.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 5.4902 3.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 5.9804 4.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8302 4.7823 4.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 4.1277 6.0167 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 5.2962 5.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5276 5.1196 6.5527 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8984 5.9696 4.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 3.6865 -0.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 2.9747 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 3.6173 -1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 1.5154 -1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 0.9397 -1.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5421 -0.5622 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -1.1404 -2.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 -2.5641 -3.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -3.5708 -2.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -3.5149 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -4.6108 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0846 -4.5322 1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9224 -3.2379 2.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5276 -3.1044 2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 -2.3820 2.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 -2.5313 2.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1724 -1.8690 2.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1524 -0.6781 3.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -0.8725 4.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 0.4195 5.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9343 0.9138 5.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7419 -3.4102 3.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -3.9486 4.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 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