D01BXV AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 BR UNL 1 -1.786 0.000 0.000 1.00 0.00 Br HETATM 2 C UNL 1 -1.072 0.412 0.000 1.00 0.00 C HETATM 3 C UNL 1 -0.357 0.000 0.000 1.00 0.00 C HETATM 4 C UNL 1 0.357 0.412 0.000 1.00 0.00 C HETATM 5 O UNL 1 1.072 0.000 0.000 1.00 0.00 O HETATM 6 C UNL 1 1.786 0.412 0.000 1.00 0.00 C HETATM 7 C UNL 1 -0.357 -0.825 0.000 1.00 0.00 C HETATM 8 BR UNL 1 0.357 -1.238 0.000 1.00 0.00 Br HETATM 9 O UNL 1 0.357 1.238 0.000 1.00 0.00 O CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 7 CONECT 4 3 5 9 CONECT 5 4 6 CONECT 6 5 CONECT 7 3 8 CONECT 8 7 CONECT 9 4 MASTER 0 0 0 0 0 0 0 0 9 0 9 0 END M END $$$$