# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '93T' 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 2.98200 -1.29200 -0.23000 1.000 C1 C 4.34700 -1.09900 -0.28900 1.000 C2 C 4.88000 0.16100 -0.07500 1.000 Br3 Br 6.75100 0.41900 -0.15700 1.000 C4 C 4.04700 1.23200 0.19900 1.000 C5 C 2.68100 1.04800 0.26100 1.000 C6 C 2.13900 -0.21600 0.04000 1.000 C7 C 0.67000 -0.41900 0.10400 1.000 C8 C 0.00600 -1.63200 -0.09100 1.000 N9 N -0.22600 0.51800 0.36100 1.000 N10 N -1.50100 -0.05900 0.33400 1.000 C11 C -2.74900 0.45800 0.53000 1.000 C12 C -2.92900 1.92100 0.84300 1.000 C13 C -1.35200 -1.39400 0.05300 1.000 N14 N -2.42400 -2.19500 -0.03000 1.000 C15 C -3.63400 -1.72100 0.15100 1.000 C16 C -4.82300 -2.64200 0.05300 1.000 C17 C -3.82500 -0.36200 0.43800 1.000 C18 C -5.21500 0.18200 0.64700 1.000 C19 C -5.83300 0.53500 -0.70700 1.000 C20 C -7.22300 1.07900 -0.49800 1.000 O21 O -7.67200 1.17500 0.61900 1.000 O22 O -7.96100 1.45700 -1.55400 1.000 H23 H 2.56700 -2.27500 -0.39800 1.000 H24 H 5.00100 -1.93100 -0.50300 1.000 H25 H 4.46800 2.21100 0.37100 1.000 H26 H 2.03200 1.88500 0.47500 1.000 H27 H 0.46700 -2.58300 -0.31400 1.000 H28 H -1.95500 2.40800 0.87400 1.000 H29 H -3.54400 2.38500 0.07200 1.000 H30 H -3.41900 2.02700 1.81100 1.000 H31 H -4.48300 -3.65200 -0.17400 1.000 H32 H -5.36100 -2.64400 1.00100 1.000 H33 H -5.48600 -2.29500 -0.74000 1.000 H34 H -5.82900 -0.57000 1.14300 1.000 H35 H -5.16500 1.07700 1.26800 1.000 H36 H -5.21900 1.28700 -1.20200 1.000 H37 H -5.88300 -0.36000 -1.32800 1.000 H38 H -8.84700 1.80000 -1.37000 1.000