COMPND HMDB0060344 HETATM 1 O1 UNL 1 -1.517 0.617 -0.884 1.00 0.00 O HETATM 2 C1 UNL 1 -0.884 0.099 0.018 1.00 0.00 C HETATM 3 C2 UNL 1 0.554 -0.223 -0.073 1.00 0.00 C HETATM 4 BR1 UNL 1 1.684 1.314 0.299 1.00 0.00 BR HETATM 5 H1 UNL 1 -1.469 -0.143 0.912 1.00 0.00 H HETATM 6 H2 UNL 1 0.785 -0.952 0.739 1.00 0.00 H HETATM 7 H3 UNL 1 0.847 -0.713 -1.012 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 5 CONECT 3 4 6 7 END