# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C69' 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 2.61900 0.87500 -3.40700 1.000 O1 O 2.28800 0.07300 -2.27100 1.000 C2 C 2.21300 0.70500 -1.07000 1.000 C3 C 2.44800 2.06700 -0.98700 1.000 C4 C 2.37100 2.71000 0.24000 1.000 O5 O 2.60100 4.04800 0.32100 1.000 C6 C 2.50400 4.64500 1.61600 1.000 C7 C 2.05900 1.99000 1.38400 1.000 C8 C 1.82400 0.63000 1.30400 1.000 C9 C 1.89500 -0.01600 0.07900 1.000 N10 N 1.65100 -1.39500 -0.00200 1.000 C11 C 2.60900 -2.27600 0.26200 1.000 O12 O 3.72800 -1.92900 0.57700 1.000 C13 C 2.22900 -3.73900 0.15000 1.000 S14 S 0.39200 -3.66500 0.15600 1.000 C15 C 0.32600 -1.91000 -0.37800 1.000 C16 C -0.76400 -1.17100 0.35500 1.000 C17 C -1.83800 -0.65300 -0.34400 1.000 C18 C -2.83900 0.02400 0.32800 1.000 Br19 Br -4.30800 0.73300 -0.62700 1.000 C20 C -2.76400 0.18300 1.70100 1.000 C21 C -1.69000 -0.33600 2.39900 1.000 C22 C -0.69300 -1.01700 1.72700 1.000 H23 H 3.59600 1.33300 -3.25500 1.000 H24 H 2.64500 0.24900 -4.29900 1.000 H25 H 1.86800 1.65500 -3.53200 1.000 H26 H 2.69100 2.62900 -1.87700 1.000 H27 H 3.23000 4.18100 2.28400 1.000 H28 H 2.71000 5.71200 1.54000 1.000 H29 H 1.50000 4.49600 2.01100 1.000 H30 H 2.00000 2.49200 2.33800 1.000 H31 H 1.58200 0.07100 2.19600 1.000 H32 H 2.59700 -4.16500 -0.78200 1.000 H33 H 2.60000 -4.30300 1.00600 1.000 H34 H 0.18300 -1.84000 -1.45600 1.000 H35 H -1.89500 -0.77700 -1.41600 1.000 H36 H -3.54600 0.71200 2.22600 1.000 H37 H -1.63200 -0.21100 3.47000 1.000 H38 H 0.14400 -1.42600 2.27300 1.000