HMDB0061617 RDKit 3D PS(MonoMe(13,5)/DiMe(13,5)) 159160 0 0 0 0 0 0 0 0999 V2000 -1.5658 -2.2727 4.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -3.0702 4.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 -4.5363 4.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 -5.4112 3.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1629 -5.4090 2.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6827 -4.1473 2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9237 -3.6199 2.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0727 -2.4447 1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2759 -1.5928 1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9271 -2.3003 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -1.1607 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0138 0.0250 0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 0.5561 1.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 1.7664 2.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 2.9635 1.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 4.0992 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7984 4.4023 3.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 5.6010 4.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6668 5.6529 4.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 4.5782 4.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 4.9256 4.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 3.9458 5.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 4.4324 4.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0669 5.5771 4.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 3.7459 5.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4342 4.0089 5.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 3.9265 3.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 4.7118 2.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 4.6277 1.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 5.3920 0.3096 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2334 6.5892 0.9493 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 5.8548 -0.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 4.2006 -0.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4347 4.3496 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 3.0815 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 3.0518 0.1596 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 2.8646 -1.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 2.9810 -2.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 2.5213 -2.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 2.5708 3.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 1.8217 2.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3012 2.3712 3.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 0.4570 2.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0457 -0.6552 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9663 -2.0061 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 -2.1060 1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 -3.3912 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -3.2794 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -4.3868 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 -4.0977 -1.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 -5.0642 -2.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -4.6918 -3.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4273 -5.5423 -4.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -5.1259 -5.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -3.6772 -6.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 -2.7333 -5.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 -1.5303 -5.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.3014 -5.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 0.1398 -5.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 0.4862 -7.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4522 -0.5753 -8.3026 C 0 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