# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0OT' 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 1.92300 4.01500 1.55100 1.000 C1 C 2.76200 2.73800 1.62900 1.000 O2 O 2.62500 2.00300 0.41200 1.000 C3 C 3.31200 0.83300 0.31700 1.000 C4 C 4.60500 0.82500 -0.18800 1.000 Br5 Br 5.41300 2.44100 -0.74400 1.000 C6 C 5.30100 -0.36500 -0.28300 1.000 C7 C 4.70900 -1.54800 0.12500 1.000 Br8 Br 5.66400 -3.17500 -0.00600 1.000 C9 C 3.42100 -1.54100 0.62800 1.000 C10 C 2.72300 -0.35300 0.73000 1.000 C11 C 1.32200 -0.34700 1.28400 1.000 N12 N 0.35800 -0.29600 0.17600 1.000 C13 C -1.02200 -0.28900 0.68000 1.000 C14 C -1.99500 -0.23600 -0.50000 1.000 C15 C -3.43200 -0.22800 0.02500 1.000 N16 N -4.36400 -0.17700 -1.10500 1.000 C17 C -5.71900 -0.16200 -0.87700 1.000 C18 C -6.57400 -0.11400 -1.95300 1.000 C19 C -7.96200 -0.09800 -1.74500 1.000 O20 O -8.73900 -0.05600 -2.68700 1.000 C21 C -8.45600 -0.13300 -0.35500 1.000 C22 C -9.82100 -0.11400 -0.07300 1.000 C23 C -10.24600 -0.14300 1.23800 1.000 C24 C -9.32400 -0.19000 2.27300 1.000 C25 C -7.97100 -0.20800 2.00900 1.000 C26 C -7.52200 -0.18000 0.69300 1.000 N27 N -6.17200 -0.19900 0.40500 1.000 H28 H 0.87600 3.75300 1.40000 1.000 H29 H 2.02700 4.57600 2.47900 1.000 H30 H 2.26900 4.62600 0.71600 1.000 H31 H 3.80900 3.00000 1.78000 1.000 H32 H 2.41700 2.12700 2.46400 1.000 H33 H 6.30700 -0.37200 -0.67500 1.000 H34 H 2.96100 -2.46600 0.94500 1.000 H35 H 1.15800 -1.25200 1.86800 1.000 H36 H 1.18800 0.52700 1.92200 1.000 H37 H 0.50400 -1.06100 -0.46500 1.000 H38 H -1.20300 -1.19400 1.26000 1.000 H39 H -1.17300 0.58500 1.31400 1.000 H40 H -1.81500 0.66900 -1.07900 1.000 H41 H -1.84500 -1.10900 -1.13400 1.000 H42 H -3.61300 -1.13300 0.60400 1.000 H43 H -3.58300 0.64600 0.65900 1.000 H44 H -4.02400 -0.15500 -2.01300 1.000 H45 H -6.17800 -0.08900 -2.95700 1.000 H46 H -10.54200 -0.07700 -0.87600 1.000 H47 H -11.30300 -0.12800 1.46000 1.000 H48 H -9.67000 -0.21300 3.29600 1.000 H49 H -7.26200 -0.24500 2.82200 1.000 H50 H -5.53300 -0.23200 1.13300 1.000