# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -0.98600 2.43900 2.63800 1.000 C1 C -1.31000 2.49400 -1.35300 1.000 N2 N 0.75200 -1.02900 1.24500 1.000 O3 O 2.31700 0.74700 -2.57600 1.000 C4 C -1.58000 2.64400 -0.00100 1.000 N5 N -3.96400 -1.48200 0.24000 1.000 O6 O 2.88900 0.48000 -0.44100 1.000 C7 C -0.64500 2.23600 0.94800 1.000 O8 O -2.75700 3.19000 0.39900 1.000 C9 C 0.54800 1.67300 0.55200 1.000 O10 O 0.15300 1.79800 -3.08800 1.000 C11 C 0.82300 1.50600 -0.81100 1.000 O12 O -0.53500 -0.47900 1.02400 1.000 C13 C -0.11400 1.93400 -1.76500 1.000 O14 O -2.93400 0.44900 0.60500 1.000 C15 C 1.55100 1.24200 1.58900 1.000 C16 C 2.07800 0.87700 -1.25500 1.000 C17 C 1.75200 -0.25000 1.51200 1.000 C18 C 3.08800 -0.81700 1.74200 1.000 C19 C 3.53900 0.08000 -2.98100 1.000 C20 C 4.56300 0.14500 -1.84800 1.000 C21 C 4.70300 -1.21800 -1.21900 1.000 C22 C 5.29600 -1.34100 -0.05700 1.000 C23 C 5.43000 -2.69700 0.58700 1.000 C24 C 3.27600 -2.13100 1.67500 1.000 C25 C 4.64900 -2.70900 1.90400 1.000 C26 C -1.54200 -1.45200 0.74000 1.000 C27 C -2.86300 -0.75900 0.52400 1.000 C28 C -5.25900 -0.82100 0.02600 1.000 C29 C -5.82700 -1.27300 -1.32200 1.000 C30 C -5.88900 -2.80200 -1.35800 1.000 C31 C -4.47700 -3.37500 -1.21200 1.000 C32 C -3.89200 -2.94500 0.13300 1.000 H33 H -2.03800 2.81100 -2.08500 1.000 H34 H -3.46500 2.54400 0.53100 1.000 H35 H 0.60300 2.56000 -3.47900 1.000 H36 H 2.50100 1.74500 1.40700 1.000 H37 H 1.18500 1.50800 2.58100 1.000 H38 H 3.91800 -0.16300 1.96600 1.000 H39 H 3.32200 -0.96200 -3.21400 1.000 H40 H 3.94400 0.57200 -3.86500 1.000 H41 H 5.52700 0.46200 -2.24700 1.000 H42 H 4.22900 0.86000 -1.09600 1.000 H43 H 4.31600 -2.08900 -1.72400 1.000 H44 H 5.69600 -0.46900 0.43700 1.000 H45 H 5.02900 -3.46000 -0.08100 1.000 H46 H 6.48200 -2.90400 0.78600 1.000 H47 H 2.44400 -2.78600 1.46000 1.000 H48 H 4.55700 -3.73400 2.26300 1.000 H49 H 5.17700 -2.11000 2.64600 1.000 H50 H -1.27000 -2.00400 -0.15900 1.000 H51 H -1.62700 -2.14200 1.57900 1.000 H52 H -5.94700 -1.09800 0.82500 1.000 H53 H -5.12000 0.26100 0.02000 1.000 H54 H -6.83000 -0.86600 -1.45000 1.000 H55 H -5.18400 -0.91600 -2.12600 1.000 H56 H -6.51200 -3.16000 -0.53800 1.000 H57 H -6.31600 -3.12600 -2.30700 1.000 H58 H -4.51900 -4.46300 -1.26100 1.000 H59 H -3.84600 -2.99800 -2.01700 1.000 H60 H -2.85200 -3.26500 0.19600 1.000 H61 H -4.46700 -3.40000 0.94000 1.000