# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9VU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 0.07700 3.30700 -0.38900 1.000 C1 C 0.99400 2.56900 -0.09700 1.000 N2 N 2.07700 2.89100 0.62900 1.000 C3 C 2.94800 1.81200 0.78700 1.000 C4 C 4.16600 1.71400 1.45800 1.000 C5 C 4.85300 0.51800 1.47400 1.000 C6 C 4.34200 -0.59200 0.82700 1.000 C7 C 5.09800 -1.89500 0.85000 1.000 C8 C 3.13200 -0.50300 0.15900 1.000 Br9 Br 2.42700 -2.01600 -0.72900 1.000 C10 C 2.44400 0.69000 0.14100 1.000 C11 C 1.12900 1.10900 -0.47500 1.000 O12 O 1.17500 0.96200 -1.89600 1.000 C13 C -0.02500 0.29400 0.11200 1.000 C14 C -1.33100 0.79600 -0.44800 1.000 O15 O -1.33800 1.71500 -1.24000 1.000 C16 C -2.59500 0.17200 -0.03600 1.000 C17 C -3.81000 0.63600 -0.55600 1.000 C18 C -4.99500 0.04700 -0.16600 1.000 O19 O -6.29000 0.30400 -0.51500 1.000 C20 C -7.09300 -0.33000 0.49800 1.000 O21 O -6.26600 -1.41300 0.96400 1.000 C22 C -4.98200 -1.01200 0.74600 1.000 C23 C -3.77600 -1.47200 1.26100 1.000 C24 C -2.58900 -0.89200 0.87300 1.000 H25 H 2.23700 3.77300 1.00100 1.000 H26 H 4.57200 2.57600 1.96500 1.000 H27 H 5.79700 0.44900 1.99500 1.000 H28 H 4.78600 -2.48200 1.71400 1.000 H29 H 4.88900 -2.45300 -0.06300 1.000 H30 H 6.16800 -1.69300 0.91500 1.000 H31 H 0.38000 1.27400 -2.34900 1.000 H32 H 0.10200 -0.75700 -0.14800 1.000 H33 H -0.03100 0.40100 1.19700 1.000 H34 H -3.81900 1.45400 -1.26100 1.000 H35 H -1.65400 -1.25600 1.27200 1.000 H36 H -7.30500 0.36600 1.30900 1.000 H37 H -8.01900 -0.71300 0.06900 1.000 H38 H -3.77000 -2.29000 1.96600 1.000