HMDB0061615 RDKit 3D PS(MonoMe(13,5)/DiMe(11,3)) 147148 0 0 0 0 0 0 0 0999 V2000 5.5816 6.8437 -1.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 7.6316 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 7.9570 -2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 6.7183 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1308 5.8496 -1.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 4.6177 -2.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 3.4099 -2.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 2.6147 -3.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 1.2148 -3.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 3.3810 -3.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2537 2.9386 -3.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1685 2.1162 -3.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7609 2.6463 -1.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 3.0452 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2972 2.1087 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 1.3482 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 0.4818 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 -0.3533 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 -1.1533 1.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 -2.0086 1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 -2.8646 2.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -2.3513 3.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -1.6034 4.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -0.3812 4.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 -2.1649 5.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3751 -1.3734 6.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -0.8911 6.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 0.1579 7.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 0.7048 6.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 1.8754 7.7199 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3842 3.0345 7.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 1.3027 9.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 2.5116 7.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8425 3.8939 7.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1165 4.3667 6.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2144 3.6843 7.2117 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2804 5.8338 6.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 6.3028 7.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 6.6946 6.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -1.8633 6.1286 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 -2.1385 5.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 -1.4144 4.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -3.2685 5.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4468 -3.4845 3.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -3.8263 2.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -4.0973 1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 -4.4283 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 -4.7365 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 -5.0616 -2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -5.4176 -3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -4.3755 -3.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9695 -3.0827 -4.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -3.2453 -5.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -3.1889 -5.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -3.3724 -6.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -3.3575 -6.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -4.6817 -6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9302 -5.5461 -7.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 -3.5621 -7.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -3.7981 -8.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 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