# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXZ' 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 -1.48100 -2.16100 0.57200 1.000 C1 C -0.55400 -3.16300 0.75400 1.000 C2 C 0.80200 -2.88900 0.62200 1.000 C3 C 1.21900 -1.58800 0.30500 1.000 C4 C 0.27500 -0.57800 0.12300 1.000 C5 C -1.07100 -0.86700 0.25700 1.000 N6 N -2.02300 0.14200 0.07500 1.000 C7 C -3.44900 -0.16300 0.21600 1.000 C8 C -4.26800 1.10600 -0.03200 1.000 N9 N -5.69800 0.80000 0.11000 1.000 C10 C -6.50200 2.03100 0.11500 1.000 C11 C -7.97500 1.67200 0.32400 1.000 O12 O -8.38800 0.76000 -0.69800 1.000 C13 C -7.62600 -0.45100 -0.73100 1.000 C14 C -6.14900 -0.11200 -0.95100 1.000 C15 C 2.69000 -1.62600 0.23900 1.000 N16 N 3.05600 -2.85400 0.50000 1.000 O17 O 1.91200 -3.64900 0.73900 1.000 C18 C 3.58600 -0.48800 -0.06600 1.000 C19 C 3.39500 0.74100 0.56500 1.000 C20 C 4.23200 1.79900 0.28000 1.000 C21 C 5.26600 1.64500 -0.63700 1.000 C22 C 5.46200 0.42600 -1.26900 1.000 C23 C 4.63100 -0.64300 -0.98400 1.000 O24 O 4.82600 -1.83900 -1.59800 1.000 O25 O 6.08700 2.69200 -0.91400 1.000 Cl26 Cl 3.99300 3.32900 1.06600 1.000 H27 H -2.53400 -2.38000 0.67100 1.000 H28 H -0.88100 -4.16300 0.99800 1.000 H29 H 0.59300 0.42500 -0.12200 1.000 H30 H -1.73900 1.04300 -0.14500 1.000 H31 H -3.73100 -0.92500 -0.51000 1.000 H32 H -3.64400 -0.53000 1.22400 1.000 H33 H -3.98600 1.86800 0.69400 1.000 H34 H -4.07300 1.47300 -1.03900 1.000 H35 H -6.16800 2.68100 0.92300 1.000 H36 H -6.38500 2.54600 -0.83900 1.000 H37 H -8.10100 1.20500 1.30000 1.000 H38 H -8.58200 2.57600 0.27100 1.000 H39 H -7.74200 -0.97900 0.21500 1.000 H40 H -7.98100 -1.08100 -1.54600 1.000 H41 H -6.02700 0.36800 -1.92100 1.000 H42 H -5.55800 -1.02800 -0.91900 1.000 H43 H 2.59300 0.86400 1.27700 1.000 H44 H 6.26600 0.31100 -1.98100 1.000 H45 H 4.34400 -1.93700 -2.43100 1.000 H46 H 6.86500 2.74400 -0.34300 1.000