# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9J2' 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 0.46400 -3.38800 3.33200 1.000 O1 O -0.55100 -2.60800 2.64700 1.000 C2 C -0.81400 -2.93500 1.37200 1.000 O3 O -0.30500 -3.91500 0.88300 1.000 C4 C -1.74400 -2.08000 0.55100 1.000 C5 C -3.14800 -2.68900 0.57200 1.000 C6 C -1.23800 -2.01400 -0.89100 1.000 N7 N 0.15300 -1.54800 -0.90800 1.000 C8 C -2.06300 -1.02800 -1.67800 1.000 N9 N -2.78700 -1.26500 -2.73400 1.000 N10 N -3.31200 -0.16700 -3.15300 1.000 C11 C -2.95800 0.82300 -2.37500 1.000 C12 C -3.34500 2.27100 -2.53200 1.000 N13 N -2.17400 0.29500 -1.39900 1.000 C14 C -1.61700 0.95200 -0.30000 1.000 C15 C -2.34300 1.97800 0.29000 1.000 C16 C -1.84800 2.63700 1.40400 1.000 O17 O -2.56300 3.64100 1.97400 1.000 C18 C -1.99100 4.27600 3.11900 1.000 C19 C -0.61800 2.26900 1.93700 1.000 C20 C 0.11500 1.26400 1.35200 1.000 C21 C -0.36600 0.59800 0.21300 1.000 C22 C 0.49600 -0.41000 -0.40900 1.000 C23 C 1.93900 -0.08300 -0.47100 1.000 C24 C 2.88900 -1.10400 -0.48600 1.000 C25 C 4.23200 -0.79300 -0.54400 1.000 C26 C 4.63700 0.53000 -0.58700 1.000 Cl27 Cl 6.32900 0.91500 -0.66100 1.000 C28 C 3.69900 1.54800 -0.57300 1.000 C29 C 2.35300 1.24900 -0.52100 1.000 H30 H 1.39600 -3.34700 2.76800 1.000 H31 H 0.62500 -2.98000 4.33000 1.000 H32 H 0.13300 -4.42400 3.41300 1.000 H33 H -1.77900 -1.07500 0.97100 1.000 H34 H -3.11400 -3.69500 0.15200 1.000 H35 H -3.50900 -2.73600 1.59900 1.000 H36 H -3.82100 -2.07100 -0.02200 1.000 H37 H -1.30200 -3.00100 -1.35000 1.000 H38 H -4.27100 2.46000 -1.98700 1.000 H39 H -2.55300 2.90400 -2.13200 1.000 H40 H -3.49300 2.49500 -3.58800 1.000 H41 H -3.30000 2.26500 -0.12100 1.000 H42 H -2.66300 5.05700 3.47400 1.000 H43 H -1.84300 3.53800 3.90700 1.000 H44 H -1.03200 4.71700 2.84900 1.000 H45 H -0.23700 2.77400 2.81200 1.000 H46 H 1.06900 0.98400 1.77300 1.000 H47 H 2.57400 -2.13600 -0.45200 1.000 H48 H 4.96800 -1.58300 -0.55500 1.000 H49 H 4.02000 2.57900 -0.60700 1.000 H50 H 1.62200 2.04300 -0.51400 1.000