# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JGT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 0.11200 1.12900 0.14800 1.000 C1 C 0.30100 -0.19200 0.49400 1.000 C2 C 3.91500 -0.56300 -0.31300 1.000 C3 C 4.10600 -1.86800 0.02600 1.000 C4 C 3.05900 -2.64100 0.52200 1.000 C5 C 1.81400 -2.11400 0.68200 1.000 C6 C -1.76300 -1.36800 0.14100 1.000 C7 C -3.65800 -2.43900 -0.61400 1.000 C8 C -3.00700 -1.61000 -1.73800 1.000 Br9 Br -1.59700 1.91300 0.34900 1.000 C10 C 1.57800 -0.77300 0.34200 1.000 C11 C 2.64300 0.01500 -0.16200 1.000 C12 C 2.40900 1.35800 -0.50200 1.000 C13 C 1.16800 1.89400 -0.34000 1.000 C14 C 3.53300 2.20700 -1.03800 1.000 N15 N -0.76300 -0.95000 0.98900 1.000 N16 N -2.77300 -2.20200 0.53800 1.000 N17 N -1.83300 -1.00100 -1.09700 1.000 H18 H 4.73600 0.02400 -0.69500 1.000 H19 H 5.08500 -2.31000 -0.09100 1.000 H20 H 3.23700 -3.67400 0.78400 1.000 H21 H 1.01100 -2.72500 1.06600 1.000 H22 H -4.66500 -2.07700 -0.40600 1.000 H23 H -2.70100 -2.25600 -2.56100 1.000 H24 H 0.99700 2.92800 -0.60400 1.000 H25 H 3.56100 2.12700 -2.12500 1.000 H26 H 3.37100 3.24700 -0.75400 1.000 H27 H 4.47900 1.86000 -0.62400 1.000 H28 H -0.79600 -1.18100 1.93000 1.000 H29 H -2.88500 -2.57400 1.42700 1.000 H30 H -3.69300 -0.83900 -2.09100 1.000 H31 H -3.67500 -3.49800 -0.87400 1.000