# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXX' 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 2.07500 -0.73800 -0.57400 1.000 C1 C 3.34300 -0.98700 -0.09800 1.000 C2 C 3.76400 -0.36600 1.06400 1.000 C3 C 2.91300 0.48000 1.73700 1.000 C4 C 0.81400 1.66100 2.14800 1.000 C5 C -0.65900 1.70100 1.82800 1.000 C6 C -1.75800 4.09600 -0.86600 1.000 C7 C -1.38200 3.41800 -2.01300 1.000 C8 C -0.79000 2.17100 -1.91400 1.000 C9 C -0.57600 1.62200 -0.65700 1.000 C10 C 1.62100 0.73800 1.26900 1.000 C11 C 1.21300 0.13500 0.10000 1.000 C12 C -2.62800 -2.38900 -0.50600 1.000 C13 C -4.57000 -1.76300 0.79900 1.000 C14 C -1.53500 3.54300 0.38200 1.000 C15 C -0.93100 2.29900 0.48100 1.000 C16 C -0.76700 -0.79900 -1.00300 1.000 C17 C -1.77300 -1.25100 0.05600 1.000 C18 C -4.27000 -4.06200 0.10100 1.000 N19 N -0.01800 0.35700 -0.50300 1.000 N20 N -3.59500 -2.82400 0.51200 1.000 Cl21 Cl 4.40200 -2.07000 -0.94800 1.000 H22 H 1.74200 -1.22000 -1.48200 1.000 H23 H 4.76000 -0.54500 1.44300 1.000 H24 H 3.25000 0.95400 2.64700 1.000 H25 H 1.21600 2.66900 2.05000 1.000 H26 H -1.05400 0.68500 1.84900 1.000 H27 H -2.22800 5.06500 -0.94600 1.000 H28 H -1.55100 3.86200 -2.98300 1.000 H29 H -0.50000 1.63200 -2.80300 1.000 H30 H -3.16300 -2.04000 -1.38900 1.000 H31 H -1.98500 -3.22700 -0.77700 1.000 H32 H -5.11100 -1.51100 -0.11300 1.000 H33 H -5.27300 -2.11100 1.55500 1.000 H34 H -4.04800 -0.88000 1.16700 1.000 H35 H -1.82900 4.07600 1.27400 1.000 H36 H -0.07500 -1.61300 -1.21900 1.000 H37 H -1.29800 -0.52200 -1.91400 1.000 H38 H -2.41600 -0.41400 0.32800 1.000 H39 H -1.23900 -1.60100 0.94000 1.000 H40 H -3.53000 -4.85100 -0.03700 1.000 H41 H -4.98000 -4.36200 0.87200 1.000 H42 H -4.80000 -3.89400 -0.83600 1.000 H43 H 0.93400 1.34400 3.18400 1.000 H44 H -1.17000 2.29200 2.58800 1.000