# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9UE' 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 -5.85800 1.64200 0.20400 1.000 C1 C -2.36000 4.77900 0.91900 1.000 C2 C -3.13100 5.58100 0.10000 1.000 C3 C -3.25100 5.27900 -1.24900 1.000 C4 C -2.59600 4.17300 -1.77100 1.000 C5 C -1.82700 3.37400 -0.94700 1.000 C6 C -1.70900 3.67700 0.39700 1.000 C7 C 5.02500 0.73400 0.47900 1.000 C8 C 5.77100 -1.33300 0.00800 1.000 C9 C 6.48200 -2.48700 -0.30400 1.000 C10 C 5.82300 -3.69400 -0.39500 1.000 C11 C 4.45400 -3.77100 -0.17900 1.000 O12 O -0.53500 0.85300 -0.60700 1.000 C13 C -5.22300 -1.94700 0.44000 1.000 O14 O -2.87600 1.25900 -0.24900 1.000 C15 C -4.72700 -0.57500 -0.04100 1.000 C16 C -5.13900 0.51100 0.95100 1.000 O17 O 0.17000 -1.29900 0.06300 1.000 C18 C -2.86100 1.28900 0.95700 1.000 C19 C -1.59300 1.54200 1.72400 1.000 O20 O -1.72900 -2.54600 -0.26200 1.000 C21 C -0.87200 2.80700 1.29100 1.000 C22 C 3.73600 -2.65000 0.12800 1.000 C23 C 4.38300 -1.41700 0.22600 1.000 C24 C 3.93800 -0.05400 0.52900 1.000 C25 C 2.52900 0.38000 0.83800 1.000 C26 C 2.51600 -0.53400 -2.52400 1.000 C27 C -0.48000 -2.18700 -2.99100 1.000 C28 C -1.48500 -4.66700 1.82100 1.000 N29 N 6.12900 -0.01300 0.16900 1.000 C30 C -4.77500 -4.49100 1.81700 1.000 C31 C -4.27400 -3.00000 -0.06700 1.000 N32 N -0.00300 -3.69400 -1.11600 1.000 C33 C -4.05900 -4.13700 0.53800 1.000 C34 C -3.09100 -5.12500 -0.06300 1.000 C35 C -1.64700 -4.83000 0.31400 1.000 N36 N 1.67100 -0.42200 -1.32400 1.000 C37 C -1.13600 -3.59300 -0.38600 1.000 C38 C 0.51700 -2.55900 -1.89200 1.000 C39 C 0.77500 -1.38200 -0.99200 1.000 C40 C 1.81600 0.76200 -0.46100 1.000 C41 C 0.46900 1.36200 -0.15900 1.000 O42 O -4.00900 6.06600 -2.05700 1.000 Br43 Br 5.02700 2.60000 0.78400 1.000 N44 N 0.39200 2.46100 0.62400 1.000 O45 O -3.98700 1.03800 1.64700 1.000 C46 C -6.61700 -2.19300 -0.14400 1.000 H47 H -6.74600 1.24500 -0.28900 1.000 H48 H -6.15200 2.41600 0.91300 1.000 H49 H -5.18800 2.06800 -0.54200 1.000 H50 H -2.26300 5.01600 1.96900 1.000 H51 H -3.63900 6.44100 0.50900 1.000 H52 H -2.68900 3.93600 -2.82100 1.000 H53 H -1.31800 2.51300 -1.35300 1.000 H54 H 7.54700 -2.43700 -0.47400 1.000 H55 H 6.37700 -4.58800 -0.63700 1.000 H56 H 3.95300 -4.72400 -0.25500 1.000 H57 H -5.27100 -1.94000 1.52300 1.000 H58 H -3.64400 -0.61400 -0.13600 1.000 H59 H -5.17300 -0.36100 -1.01300 1.000 H60 H -5.83200 0.08600 1.68200 1.000 H61 H -1.83800 1.62000 2.79300 1.000 H62 H -0.93100 0.67600 1.61000 1.000 H63 H -0.63500 3.39500 2.19600 1.000 H64 H 2.67100 -2.71700 0.29400 1.000 H65 H 1.99300 -0.43800 1.31900 1.000 H66 H 2.55200 1.24100 1.50600 1.000 H67 H 3.44100 -1.05100 -2.27000 1.000 H68 H 1.98500 -1.09700 -3.29200 1.000 H69 H 2.74800 0.46300 -2.90000 1.000 H70 H -0.07500 -1.36900 -3.58700 1.000 H71 H -0.65400 -3.05200 -3.63200 1.000 H72 H -1.42100 -1.87600 -2.53800 1.000 H73 H -1.79100 -5.58600 2.32100 1.000 H74 H -0.44200 -4.45700 2.05400 1.000 H75 H -2.10800 -3.84100 2.16600 1.000 H76 H 7.02900 0.33600 0.07600 1.000 H77 H -5.44200 -3.67600 2.09800 1.000 H78 H -5.35600 -5.40200 1.66800 1.000 H79 H -4.04500 -4.65300 2.61000 1.000 H80 H -3.75000 -2.81500 -1.00400 1.000 H81 H 0.47800 -4.54600 -1.13600 1.000 H82 H -3.36400 -6.12700 0.28700 1.000 H83 H -3.19700 -5.10800 -1.15200 1.000 H84 H -1.02400 -5.67600 -0.01300 1.000 H85 H 1.45600 -2.87800 -2.36100 1.000 H86 H 2.42500 1.50200 -0.99400 1.000 H87 H -3.52100 6.79400 -2.46600 1.000 H88 H 1.17000 3.03600 0.73500 1.000 H89 H -6.56300 -2.17800 -1.23200 1.000 H90 H -6.98300 -3.16400 0.18900 1.000 H91 H -7.29600 -1.41200 0.19700 1.000