HMDB0247122 RDKit 3D Bpde-I 37 42 0 0 0 0 0 0 0 0999 V2000 -3.6401 0.9513 1.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2749 0.7815 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 0.5979 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 1.6891 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 1.5687 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 2.6911 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 2.5420 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 1.2596 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 1.0520 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9993 -0.2251 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2016 -1.3442 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -1.1467 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -2.2575 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 -2.0652 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 -0.8189 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 -0.6665 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -1.8848 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6538 -2.2847 -0.9562 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5349 -1.7101 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0719 -0.3503 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 -0.1834 -1.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8978 0.2952 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 0.1377 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 1.7738 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 1.7117 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 2.7001 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 3.6877 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 3.4031 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1165 1.9083 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0811 -0.3836 -0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -2.3447 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 -3.2533 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.9632 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -2.6453 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 -2.4830 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -0.2802 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 0.5400 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 15 22 1 0 22 23 2 0 20 2 1 0 16 3 1 0 19 17 1 0 22 5 1 0 23 8 1 0 23 12 1 0 1 24 1 0 2 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 17 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 M END