COMPND https://cactus.nci.nih.gov/chemical/structure/%5BH%5D%5CC(=C(%5C%5BH%5D)C1=CC... AUTHOR GENERATED BY OPEN BABEL 3.1.0 HETATM 1 H UNL 1 -0.345 -1.491 0.001 1.00 0.00 H HETATM 2 C UNL 1 -0.520 -0.425 0.001 1.00 0.00 C HETATM 3 C UNL 1 0.520 0.425 -0.002 1.00 0.00 C HETATM 4 H UNL 1 0.345 1.491 -0.002 1.00 0.00 H HETATM 5 C UNL 1 1.898 -0.096 -0.004 1.00 0.00 C HETATM 6 C UNL 1 2.981 0.788 -0.007 1.00 0.00 C HETATM 7 C UNL 1 4.272 0.293 -0.009 1.00 0.00 C HETATM 8 O UNL 1 5.328 1.150 -0.011 1.00 0.00 O HETATM 9 C UNL 1 5.030 2.547 -0.011 1.00 0.00 C HETATM 10 C UNL 1 4.491 -1.083 -0.008 1.00 0.00 C HETATM 11 O UNL 1 5.761 -1.567 -0.010 1.00 0.00 O HETATM 12 C UNL 1 3.416 -1.960 -0.006 1.00 0.00 C HETATM 13 C UNL 1 2.126 -1.475 0.002 1.00 0.00 C HETATM 14 C UNL 1 -1.898 0.096 -0.003 1.00 0.00 C HETATM 15 C UNL 1 -2.981 -0.788 -0.006 1.00 0.00 C HETATM 16 C UNL 1 -4.272 -0.293 -0.009 1.00 0.00 C HETATM 17 O UNL 1 -5.328 -1.150 -0.011 1.00 0.00 O HETATM 18 C UNL 1 -5.030 -2.547 -0.011 1.00 0.00 C HETATM 19 C UNL 1 -4.491 1.083 -0.008 1.00 0.00 C HETATM 20 O UNL 1 -5.761 1.567 -0.011 1.00 0.00 O HETATM 21 C UNL 1 -3.416 1.960 -0.005 1.00 0.00 C HETATM 22 C UNL 1 -2.126 1.475 0.003 1.00 0.00 C HETATM 23 H UNL 1 2.810 1.854 -0.008 1.00 0.00 H HETATM 24 H UNL 1 4.453 2.796 0.880 1.00 0.00 H HETATM 25 H UNL 1 5.959 3.117 -0.013 1.00 0.00 H HETATM 26 H UNL 1 4.450 2.795 -0.900 1.00 0.00 H HETATM 27 H UNL 1 6.130 -1.706 0.873 1.00 0.00 H HETATM 28 H UNL 1 3.591 -3.026 -0.005 1.00 0.00 H HETATM 29 H UNL 1 1.291 -2.160 0.004 1.00 0.00 H HETATM 30 H UNL 1 -2.810 -1.854 -0.006 1.00 0.00 H HETATM 31 H UNL 1 -4.453 -2.796 0.880 1.00 0.00 H HETATM 32 H UNL 1 -5.959 -3.117 -0.013 1.00 0.00 H HETATM 33 H UNL 1 -4.449 -2.795 -0.900 1.00 0.00 H HETATM 34 H UNL 1 -6.131 1.706 0.872 1.00 0.00 H HETATM 35 H UNL 1 -3.591 3.026 -0.005 1.00 0.00 H HETATM 36 H UNL 1 -1.291 2.160 0.005 1.00 0.00 H CONECT 1 2 CONECT 2 1 3 3 14 CONECT 3 2 2 4 5 CONECT 4 3 CONECT 5 3 6 6 13 CONECT 6 5 5 7 23 CONECT 7 6 8 10 10 CONECT 8 7 9 CONECT 9 8 24 25 26 CONECT 10 7 7 11 12 CONECT 11 10 27 CONECT 12 10 13 13 28 CONECT 13 12 12 5 29 CONECT 14 2 15 15 22 CONECT 15 14 14 16 30 CONECT 16 15 17 19 19 CONECT 17 16 18 CONECT 18 17 31 32 33 CONECT 19 16 16 20 21 CONECT 20 19 34 CONECT 21 19 22 22 35 CONECT 22 21 21 14 36 CONECT 23 6 CONECT 24 9 CONECT 25 9 CONECT 26 9 CONECT 27 11 CONECT 28 12 CONECT 29 13 CONECT 30 15 CONECT 31 18 CONECT 32 18 CONECT 33 18 CONECT 34 20 CONECT 35 21 CONECT 36 22 MASTER 0 0 0 0 0 0 0 0 36 0 36 0 END