# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CBJ' 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 -0.38600 -3.25500 1.06200 1.000 C1 C 0.43800 -2.43200 0.72100 1.000 C2 C 1.83200 -2.29900 1.25800 1.000 O3 O 2.36500 -2.97800 2.11000 1.000 C4 C 2.41200 -1.16100 0.52100 1.000 C5 C 3.66000 -0.54000 0.55700 1.000 C6 C 3.91600 0.53300 -0.27500 1.000 Br7 Br 5.60600 1.38000 -0.23200 1.000 C8 C 2.93500 0.98800 -1.14000 1.000 C9 C 1.69400 0.37900 -1.18400 1.000 C10 C 1.41600 -0.70000 -0.35600 1.000 N11 N 0.26900 -1.47900 -0.21100 1.000 C12 C -0.96400 -1.28100 -0.97600 1.000 C13 C -1.90700 -0.40600 -0.19200 1.000 C14 C -1.49400 0.16600 0.99100 1.000 C15 C -2.35600 0.97000 1.71800 1.000 C16 C -3.64300 1.20900 1.26400 1.000 O17 O -4.47300 2.00000 1.99800 1.000 C18 C -5.62800 2.51800 1.32800 1.000 C19 C -6.28400 1.37100 0.54700 1.000 O20 O -5.33000 0.86500 -0.39300 1.000 C21 C -4.07500 0.64100 0.07200 1.000 C22 C -3.20100 -0.16900 -0.66600 1.000 C23 C -3.64600 -0.77400 -1.93500 1.000 O24 O -4.25300 -1.82700 -1.92600 1.000 O25 O -3.38000 -0.16000 -3.10400 1.000 H26 H 4.42400 -0.89700 1.23300 1.000 H27 H 3.14100 1.82700 -1.78800 1.000 H28 H 0.93800 0.74500 -1.86300 1.000 H29 H -0.72900 -0.80100 -1.92700 1.000 H30 H -1.43500 -2.24600 -1.16300 1.000 H31 H -0.49200 -0.01400 1.35300 1.000 H32 H -2.02200 1.41400 2.64500 1.000 H33 H -6.33200 2.91400 2.06000 1.000 H34 H -5.33000 3.30800 0.63900 1.000 H35 H -6.57700 0.57800 1.23500 1.000 H36 H -7.16200 1.74200 0.01800 1.000 H37 H -3.62600 -0.63000 -3.91300 1.000