HMDB0061599 RDKit 3D PS(MonoMe(11,3)/DiMe(13,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -18.1199 1.8332 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9659 3.0505 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0285 4.0878 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6315 3.5687 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0791 3.1182 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6818 2.5957 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3594 1.3305 0.4061 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0493 1.1767 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4468 -0.1536 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7909 -0.6793 1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 0.0495 1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4642 0.0060 0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2122 0.6985 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1385 0.6220 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8522 -0.8186 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8326 -1.0538 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 -0.5949 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6122 -1.0718 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -0.6820 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -1.3067 2.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 -0.8654 2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 0.3184 2.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 -1.7602 1.5405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 -1.4800 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 -2.2893 1.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 -1.9992 1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -2.5963 2.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 -3.3789 3.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3051 -2.3365 1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 -0.8929 1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0705 -0.7137 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2539 -1.3857 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 -1.1819 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6653 -1.7505 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0882 -1.8552 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8593 -0.6496 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5396 0.0756 -1.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4522 1.2808 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3062 2.2197 -1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2078 2.3167 -0.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8515 3.2141 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6027 3.6180 2.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5167 4.7569 1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6747 5.9009 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6462 3.7345 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2821 3.1093 -0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 3.3549 -1.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 -1.7179 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -3.0088 -0.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -3.0751 -2.3879 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6636 -2.3557 -3.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 -2.4051 -2.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 -4.7100 -2.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -5.3669 -2.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 -6.8333 -2.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 -7.2933 -2.2815 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 -7.5872 -1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -7.3049 -1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 -8.5824 -0.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4895 2.4120 0.0645 C 0 0 0 0 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