# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XJ' 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 4.40800 -2.12800 0.77600 1.000 C1 C 4.99300 -2.96400 -0.36500 1.000 N2 N 3.94400 -3.81800 -0.93700 1.000 C3 C 2.85500 -3.01200 -1.50400 1.000 C4 C 2.20500 -2.17800 -0.39700 1.000 C5 C 3.26200 -1.26800 0.23500 1.000 C6 C 2.63300 -0.47500 1.38300 1.000 N7 N 1.61800 0.43600 0.84800 1.000 N8 N 0.26300 0.12800 0.67900 1.000 C9 C 1.84300 1.71600 0.44400 1.000 N10 N 2.91600 2.50500 0.39100 1.000 C11 C 2.82200 3.73600 -0.06300 1.000 N12 N 1.68300 4.25600 -0.48500 1.000 C13 C 0.55700 3.54900 -0.47200 1.000 N14 N -0.63000 4.09900 -0.91500 1.000 C15 C 0.60600 2.22800 0.00400 1.000 C16 C -0.36900 1.15800 0.18100 1.000 O17 O -1.69400 1.22100 -0.11400 1.000 C18 C -2.43600 0.09200 0.03700 1.000 C19 C -3.81200 0.13800 -0.13000 1.000 C20 C -4.56500 -1.01200 0.02400 1.000 Cl21 Cl -6.28700 -0.95600 -0.18400 1.000 C22 C -3.94500 -2.20700 0.34400 1.000 C23 C -2.57300 -2.25400 0.51000 1.000 C24 C -1.81700 -1.10900 0.35200 1.000 H25 H 4.03000 -2.79000 1.55500 1.000 H26 H 5.18300 -1.48400 1.19000 1.000 H27 H 5.38300 -2.30200 -1.13800 1.000 H28 H 5.80000 -3.58800 0.01900 1.000 H29 H 4.32500 -4.44700 -1.62700 1.000 H30 H 3.25500 -2.34900 -2.27100 1.000 H31 H 2.10800 -3.67100 -1.94700 1.000 H32 H 1.40800 -1.56800 -0.82200 1.000 H33 H 1.79200 -2.84000 0.36300 1.000 H34 H 3.64700 -0.57900 -0.51600 1.000 H35 H 2.16800 -1.16400 2.08800 1.000 H36 H 3.40500 0.10100 1.89300 1.000 H37 H 3.71200 4.34700 -0.09100 1.000 H38 H -1.44400 3.57100 -0.90000 1.000 H39 H -0.64900 5.01200 -1.24100 1.000 H40 H -4.29600 1.07100 -0.37900 1.000 H41 H -4.53400 -3.10400 0.46400 1.000 H42 H -2.09200 -3.18800 0.75900 1.000 H43 H -0.74500 -1.14800 0.47900 1.000