HMDB0061536 RDKit 3D PE(MonoMe(13,5)/DiMe(13,5)) 156157 0 0 0 0 0 0 0 0999 V2000 -3.4744 -9.0288 3.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 -9.1351 2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -7.7949 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 -7.1965 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -5.8630 3.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -6.0330 2.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 -6.2740 3.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 -6.3711 2.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -6.6271 2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 -6.1842 0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 -6.2188 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 -4.9720 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 -5.0742 -2.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0278 -3.8634 -2.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -2.5764 -2.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -2.5568 -3.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 -1.1870 -3.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 -1.0715 -4.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 0.2903 -4.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 0.5140 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 -0.4645 -3.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 -0.4199 -4.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 0.9177 -4.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 1.8468 -4.6481 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 1.1491 -3.7594 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 2.3505 -3.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2284 3.3808 -2.7498 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9292 4.0627 -2.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 5.2452 -2.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 6.1076 -2.4752 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8758 7.1190 -3.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2707 5.1494 -3.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 6.9926 -1.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 8.3479 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 9.0536 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 8.4383 0.0104 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 2.9156 -1.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 3.4703 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9439 4.4596 -0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 3.0673 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4483 3.1361 1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 4.5294 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 4.6246 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 3.7158 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 3.8101 3.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0374 5.1193 3.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 5.8320 2.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 5.3091 2.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 4.0682 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3488 4.0152 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 2.7450 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 1.5159 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 0.9404 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -0.1326 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 -1.0539 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -2.3262 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -3.2605 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 -4.5326 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1223 -4.2553 -1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 -0.2853 1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 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