# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9J5' 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 -0.16900 -3.77500 -2.87400 1.000 O1 O 0.43300 -2.66400 -2.15800 1.000 C2 C 1.04900 -2.94800 -1.00000 1.000 O3 O 1.00500 -4.06900 -0.55100 1.000 C4 C 1.79700 -1.86900 -0.26000 1.000 C5 C 3.27900 -2.24200 -0.17500 1.000 C6 C 3.88100 -2.26100 -1.58200 1.000 C7 C 1.22500 -1.72800 1.15200 1.000 N8 N -0.19900 -1.38600 1.07900 1.000 C9 C 1.92900 -0.61100 1.87900 1.000 N10 N 2.62400 -0.69400 2.97700 1.000 N11 N 3.03600 0.47700 3.31800 1.000 C12 C 2.63300 1.36300 2.44500 1.000 C13 C 2.89000 2.84700 2.48800 1.000 N14 N 1.93900 0.68900 1.49000 1.000 C15 C 1.37700 1.20000 0.32000 1.000 C16 C 2.03800 2.23400 -0.33200 1.000 C17 C 1.53800 2.75100 -1.51500 1.000 O18 O 2.18900 3.76300 -2.14400 1.000 C19 C 1.61500 4.24700 -3.36000 1.000 C20 C 0.36700 2.23200 -2.05700 1.000 C21 C -0.30200 1.21900 -1.41500 1.000 C22 C 0.18400 0.69600 -0.20500 1.000 C23 C -0.61600 -0.32900 0.47100 1.000 C24 C -2.08300 -0.12600 0.45300 1.000 C25 C -2.94300 -1.22000 0.54800 1.000 C26 C -4.30800 -1.02500 0.53100 1.000 C27 C -4.82600 0.25500 0.42000 1.000 Cl28 Cl -6.54500 0.49300 0.40000 1.000 C29 C -3.97700 1.34500 0.32600 1.000 C30 C -2.61000 1.16100 0.34600 1.000 H31 H 0.60900 -4.46800 -3.19100 1.000 H32 H -0.87100 -4.29200 -2.21800 1.000 H33 H -0.70000 -3.39900 -3.74800 1.000 H34 H 1.69100 -0.92400 -0.79200 1.000 H35 H 3.80400 -1.50700 0.43500 1.000 H36 H 3.38000 -3.22900 0.27600 1.000 H37 H 3.35600 -2.99600 -2.19200 1.000 H38 H 3.78000 -1.27400 -2.03300 1.000 H39 H 4.93700 -2.52700 -1.52100 1.000 H40 H 1.35300 -2.66300 1.69700 1.000 H41 H 3.81900 3.07100 1.96300 1.000 H42 H 2.06500 3.37300 2.00700 1.000 H43 H 2.97300 3.17200 3.52500 1.000 H44 H 2.94800 2.63600 0.08700 1.000 H45 H 1.56300 3.43500 -4.08600 1.000 H46 H 0.61100 4.62300 -3.16300 1.000 H47 H 2.23200 5.05200 -3.75800 1.000 H48 H -0.01800 2.62700 -2.98600 1.000 H49 H -1.21000 0.82200 -1.84300 1.000 H50 H -2.54000 -2.21800 0.63500 1.000 H51 H -4.97500 -1.87100 0.60500 1.000 H52 H -4.38600 2.34100 0.24000 1.000 H53 H -1.94900 2.01300 0.27700 1.000