HMDB0061623 RDKit 3D PS(MonoMe(13,5)/MonoMe(9,5)) 144145 0 0 0 0 0 0 0 0999 V2000 -17.2192 1.9508 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3342 3.1454 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2570 2.8728 0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3961 1.7328 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2728 1.4250 1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4905 0.2898 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7150 -1.0528 1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7375 -1.7093 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5371 -3.1707 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9967 -0.7555 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8532 -0.9702 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5889 -1.3488 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 -1.5480 -1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1557 -1.9204 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6693 -0.8796 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4766 0.4786 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0035 1.4242 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 2.8233 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 3.0738 -0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 2.6594 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 3.3571 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 3.1054 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 1.7387 1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0675 1.6488 1.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 0.5849 1.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 -0.6933 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -1.1666 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -2.5668 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 -3.1327 0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 -4.7668 0.4941 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4486 -5.5925 -0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 -5.0529 2.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 -5.3097 0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -4.7134 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9322 -5.3620 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7605 -6.7959 -1.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 -5.1079 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0793 -6.0758 0.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9214 -3.8286 0.6424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 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