COMPND https://cactus.nci.nih.gov/chemical/structure/OC1=CC(O)=C(O)C=C1/file?format=... AUTHOR GENERATED BY OPEN BABEL 3.1.0 HETATM 1 O UNL 1 2.917 0.352 -0.047 1.00 0.00 O HETATM 2 C UNL 1 1.591 0.050 -0.022 1.00 0.00 C HETATM 3 C UNL 1 0.649 1.068 -0.001 1.00 0.00 C HETATM 4 C UNL 1 -0.702 0.760 0.024 1.00 0.00 C HETATM 5 O UNL 1 -1.627 1.756 0.044 1.00 0.00 O HETATM 6 C UNL 1 -1.110 -0.571 0.027 1.00 0.00 C HETATM 7 O UNL 1 -2.435 -0.876 0.051 1.00 0.00 O HETATM 8 C UNL 1 -0.165 -1.584 0.006 1.00 0.00 C HETATM 9 C UNL 1 1.182 -1.275 -0.024 1.00 0.00 C HETATM 10 H UNL 1 3.317 0.437 0.829 1.00 0.00 H HETATM 11 H UNL 1 0.968 2.100 -0.004 1.00 0.00 H HETATM 12 H UNL 1 -1.911 2.046 -0.834 1.00 0.00 H HETATM 13 H UNL 1 -2.835 -0.962 -0.826 1.00 0.00 H HETATM 14 H UNL 1 -0.482 -2.617 0.009 1.00 0.00 H HETATM 15 H UNL 1 1.916 -2.066 -0.041 1.00 0.00 H CONECT 1 2 10 CONECT 2 1 3 3 9 CONECT 3 2 2 4 11 CONECT 4 3 5 6 6 CONECT 5 4 12 CONECT 6 4 4 7 8 CONECT 7 6 13 CONECT 8 6 9 9 14 CONECT 9 8 8 2 15 CONECT 10 1 CONECT 11 3 CONECT 12 5 CONECT 13 7 CONECT 14 8 CONECT 15 9 MASTER 0 0 0 0 0 0 0 0 15 0 15 0 END