# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 4.05600 1.70800 -0.04900 1.000 N1 N 0.62300 0.39200 -0.32400 1.000 C2 C 1.69800 1.11300 -0.16300 1.000 C3 C 5.80500 0.01100 -0.20500 1.000 C4 C 4.88500 -0.93600 0.19100 1.000 C5 C 7.14900 -0.32400 -0.27900 1.000 C6 C 5.30700 -2.21900 0.50800 1.000 C7 C 6.64500 -2.55100 0.43200 1.000 C8 C -1.86500 0.65500 0.02700 1.000 C9 C -2.17500 -0.62800 -0.42000 1.000 C10 C -3.48900 -1.05100 -0.43800 1.000 Br11 Br -6.29500 -0.78800 -0.04000 1.000 C12 C -4.49700 -0.20300 -0.01300 1.000 C13 C -2.88300 1.50500 0.45300 1.000 C14 C -4.19300 1.07200 0.43200 1.000 C15 C -0.45300 1.11200 0.05400 1.000 N16 N 1.34700 2.32300 0.32400 1.000 C17 C -0.01300 2.33000 0.46300 1.000 C18 C 3.10400 0.66800 -0.47100 1.000 C19 C 5.39400 1.41300 -0.57000 1.000 C20 C 3.41600 -0.61600 0.29900 1.000 C21 C 7.56900 -1.60000 0.03800 1.000 H22 H 3.74600 2.62200 -0.34400 1.000 H23 H 7.87100 0.41800 -0.58600 1.000 H24 H 4.58600 -2.96100 0.81500 1.000 H25 H 6.97000 -3.55100 0.68000 1.000 H26 H -1.39000 -1.29100 -0.75200 1.000 H27 H -3.73100 -2.04500 -0.78400 1.000 H28 H -2.64700 2.50000 0.80100 1.000 H29 H -4.98300 1.73000 0.76300 1.000 H30 H 1.94900 3.05400 0.53500 1.000 H31 H -0.62000 3.14500 0.82800 1.000 H32 H 3.20600 0.49000 -1.54100 1.000 H33 H 5.39000 1.51600 -1.65500 1.000 H34 H 6.10900 2.11900 -0.14700 1.000 H35 H 2.83500 -1.43900 -0.11900 1.000 H36 H 3.15000 -0.48400 1.34700 1.000 H37 H 8.61600 -1.85500 -0.02000 1.000