# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JK5' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -5.79700 0.57200 -1.03800 1.000 C1 C -6.83700 1.39100 -1.02600 1.000 N2 N -7.92900 1.12900 -1.84500 1.000 C3 C -6.84600 2.51200 -0.20200 1.000 C4 C -5.75200 2.76000 0.60700 1.000 C5 C -4.68200 1.87600 0.56600 1.000 C6 C -4.74000 0.78300 -0.27600 1.000 C7 C -5.72200 3.96400 1.51400 1.000 C8 C -3.58200 -0.18000 -0.32600 1.000 O9 O -1.73200 -1.94700 -0.58400 1.000 N10 N -4.10500 -3.09600 1.82600 1.000 C11 C -0.82500 -2.75900 -1.33300 1.000 C12 C 0.42500 -1.94600 -1.67400 1.000 N13 N 1.14000 -1.60400 -0.43700 1.000 C14 C 2.34800 -0.82100 -0.72700 1.000 C15 C 3.06400 -0.48600 0.58300 1.000 F16 F 2.21100 0.26000 1.40300 1.000 F17 F 3.42100 -1.67000 1.23700 1.000 C18 C -2.78200 -3.27600 1.17400 1.000 C19 C 4.30400 0.31800 0.28600 1.000 C20 C 4.23800 1.69700 0.23800 1.000 C21 C 5.37700 2.43600 -0.03600 1.000 F22 F 5.31300 3.78400 -0.08300 1.000 C23 C 6.58200 1.79100 -0.25900 1.000 C24 C 6.64600 0.41000 -0.21000 1.000 Cl25 Cl 8.15600 -0.39900 -0.48900 1.000 C26 C 5.50800 -0.32600 0.06900 1.000 C27 C -2.94000 -2.61600 -0.21300 1.000 C28 C -4.08600 -1.59700 -0.04400 1.000 C29 C -4.52400 -1.72700 1.43000 1.000 H30 H -7.92800 0.34900 -2.42100 1.000 H31 H -8.69300 1.72700 -1.84000 1.000 H32 H -7.69500 3.18000 -0.19500 1.000 H33 H -3.81300 2.04100 1.18500 1.000 H34 H -6.14500 3.69900 2.48300 1.000 H35 H -4.69200 4.29400 1.64500 1.000 H36 H -6.30800 4.76800 1.07000 1.000 H37 H -3.12400 -0.14600 -1.31400 1.000 H38 H -2.84500 0.10000 0.42600 1.000 H39 H -4.76600 -3.78600 1.49900 1.000 H40 H -0.54200 -3.62900 -0.74000 1.000 H41 H -1.30700 -3.08800 -2.25400 1.000 H42 H 1.07700 -2.53500 -2.32000 1.000 H43 H 0.13300 -1.03100 -2.19000 1.000 H44 H 0.53600 -1.11400 0.20500 1.000 H45 H 3.01300 -1.40300 -1.36500 1.000 H46 H 2.07000 0.10100 -1.23600 1.000 H47 H -2.00400 -2.77300 1.74800 1.000 H48 H -2.55200 -4.33600 1.06600 1.000 H49 H 3.29800 2.19900 0.41200 1.000 H50 H 7.47100 2.36600 -0.47300 1.000 H51 H 5.56000 -1.40300 0.11100 1.000 H52 H -3.20300 -3.36400 -0.96100 1.000 H53 H -4.91200 -1.84400 -0.71000 1.000 H54 H -5.60600 -1.62100 1.51600 1.000 H55 H -4.01800 -0.98200 2.04500 1.000