# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HXY' 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 -1.80300 0.13800 -0.09500 1.000 N1 N 3.14200 0.34900 0.20900 1.000 Br2 Br -3.62500 -0.27400 0.20400 1.000 C3 C -1.22300 1.21500 0.55000 1.000 C4 C 0.10900 1.51600 0.33200 1.000 C5 C 0.86000 0.73900 -0.53000 1.000 C6 C 2.31200 1.06700 -0.76700 1.000 C7 C 4.54200 0.82400 0.16600 1.000 C8 C 5.44000 -0.39100 0.46400 1.000 C9 C 4.46700 -1.57800 0.64500 1.000 C10 C 3.19700 -1.10200 -0.10300 1.000 C11 C 0.28100 -0.33700 -1.17500 1.000 C12 C -1.04900 -0.64100 -0.95400 1.000 H13 H -1.81000 1.82200 1.22400 1.000 H14 H 0.56200 2.35700 0.83500 1.000 H15 H 2.46600 2.14000 -0.65500 1.000 H16 H 2.59300 0.76300 -1.77600 1.000 H17 H 4.76900 1.22000 -0.82300 1.000 H18 H 4.69600 1.59400 0.92200 1.000 H19 H 6.11400 -0.57800 -0.37200 1.000 H20 H 6.00900 -0.22500 1.37900 1.000 H21 H 4.87000 -2.48100 0.18600 1.000 H22 H 4.25300 -1.74400 1.70100 1.000 H23 H 2.31200 -1.61100 0.27800 1.000 H24 H 3.30000 -1.26100 -1.17600 1.000 H25 H 0.86800 -0.94300 -1.84900 1.000 H26 H -1.50100 -1.48500 -1.45400 1.000