# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IW3' 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 8.07800 -0.64100 0.00400 1.000 O1 O -3.85300 0.37200 -0.01600 1.000 Br2 Br -3.28300 -2.62000 -0.00100 1.000 Br3 Br -2.25500 2.96600 -0.00200 1.000 C4 C 2.53000 0.38000 -0.00100 1.000 C5 C 1.65900 -0.64200 -0.00200 1.000 C6 C 6.24100 0.92300 0.00500 1.000 C7 C 5.80500 -1.44900 -0.00500 1.000 C8 C 4.88800 1.17600 0.00200 1.000 C9 C 4.45000 -1.20300 0.00400 1.000 C10 C -0.69800 -1.43800 -0.00500 1.000 C11 C -0.26000 0.94100 -0.00600 1.000 C12 C 6.70500 -0.38900 0.00200 1.000 C13 C -2.51600 0.12600 -0.01400 1.000 C14 C -2.05300 -1.18400 -0.00700 1.000 C15 C -1.61700 1.18500 -0.00800 1.000 C16 C 3.97900 0.11300 0.00200 1.000 C17 C 0.21000 -0.37600 -0.00400 1.000 H18 H 8.70700 0.09700 0.00900 1.000 H19 H 8.40300 -1.55500 0.00600 1.000 H20 H -4.24000 0.44800 0.86600 1.000 H21 H 2.16900 1.39800 -0.00300 1.000 H22 H 2.02100 -1.66000 -0.00000 1.000 H23 H 6.94400 1.74300 0.00600 1.000 H24 H 6.16900 -2.46500 -0.00200 1.000 H25 H 4.52800 2.19500 0.00100 1.000 H26 H 3.75100 -2.02700 0.01200 1.000 H27 H -0.33900 -2.45700 0.00100 1.000 H28 H 0.43800 1.76400 -0.00100 1.000