HMDB0061614 RDKit 3D PS(MonoMe(11,5)/MonoMe(9,5)) 138139 0 0 0 0 0 0 0 0999 V2000 -8.1639 -1.9963 -5.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8893 -2.5892 -6.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 -3.8684 -5.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3144 -3.9352 -3.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -3.1999 -3.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 -1.7465 -3.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -0.9915 -4.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6942 0.3524 -3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1129 1.4928 -4.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5735 0.3502 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1511 1.5204 -2.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 2.1459 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9533 2.6685 -1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 3.2866 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 3.8394 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 4.3946 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 5.4810 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 6.0850 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2564 5.4843 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6448 4.2173 3.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 3.0435 3.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 3.2090 2.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 1.7437 3.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 0.7046 3.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 -0.6560 3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -0.8849 4.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 -0.6857 5.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -0.9422 7.0600 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8448 0.4158 7.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 -1.8970 7.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -1.5975 7.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 -1.6900 6.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 -2.3181 7.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 -3.6294 8.1005 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -2.4677 6.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3452 -3.5820 6.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4648 -1.3451 6.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 -0.8582 2.6566 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -1.9131 1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 -2.6746 1.4333 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 -2.1569 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -3.3124 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 -3.5830 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 -2.4093 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 -2.0692 -2.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -0.8750 -3.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 0.3756 -2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 1.5440 -3.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.3568 -3.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4452 1.0398 -4.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7437 0.9652 -4.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 0.6383 -6.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9068 -0.8314 -6.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 -1.1883 -7.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0614 -2.6905 -7.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7456 -3.0859 -5.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 1.2516 -3.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 1.5022 -2.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 1.8601 -1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 -0.8847 -2.5635 O 0 0 0 0 0 0 0 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