# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0R3' 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 -2.31500 2.17400 0.35100 1.000 C1 C -3.63700 2.57000 0.24700 1.000 Cl2 Cl -4.44000 3.27900 1.61300 1.000 C3 C -4.31800 2.40100 -0.94500 1.000 C4 C -3.67700 1.83700 -2.03200 1.000 C5 C -2.35700 1.44100 -1.92800 1.000 C6 C -1.67400 1.61500 -0.73900 1.000 C7 C -0.23500 1.18400 -0.62600 1.000 C8 C 0.64000 2.39500 -0.27900 1.000 C9 C 2.10800 1.96800 -0.35100 1.000 C10 C 2.50200 1.74800 -1.81300 1.000 C11 C 3.94700 1.32700 -1.88500 1.000 O12 O 4.59600 1.21500 -0.87200 1.000 O13 O 4.51500 1.07700 -3.07600 1.000 C14 C 2.98600 3.06600 0.25200 1.000 C15 C 2.30700 0.69300 0.41700 1.000 O16 O 3.43600 0.38700 0.73800 1.000 N17 N 1.31000 -0.12100 0.76500 1.000 C18 C 1.64900 -1.35900 1.47100 1.000 C19 C 2.76900 -2.08300 0.72100 1.000 C20 C 2.53900 -1.95700 -0.78600 1.000 C21 C 2.11600 -1.02600 2.88900 1.000 O22 O 1.07900 -0.32800 3.58100 1.000 C23 C 2.44400 -2.32100 3.63500 1.000 C24 C -0.09600 0.14400 0.48700 1.000 C25 C -0.77000 -1.13500 0.06100 1.000 C26 C -1.71700 -1.72200 0.87900 1.000 C27 C -2.33500 -2.89500 0.48900 1.000 C28 C -2.00600 -3.48200 -0.72000 1.000 Cl29 Cl -2.78200 -4.95500 -1.21100 1.000 C30 C -1.05700 -2.89300 -1.53800 1.000 C31 C -0.44400 -1.71700 -1.14900 1.000 H32 H -1.78300 2.30600 1.28100 1.000 H33 H -5.35000 2.71000 -1.02600 1.000 H34 H -4.20900 1.70400 -2.96300 1.000 H35 H -1.85700 0.99900 -2.77800 1.000 H36 H 0.09400 0.75500 -1.57300 1.000 H37 H 0.45500 3.19700 -0.99300 1.000 H38 H 0.40600 2.73900 0.72900 1.000 H39 H 1.87500 0.96800 -2.24500 1.000 H40 H 2.36500 2.67400 -2.37000 1.000 H41 H 5.44400 0.81100 -3.07200 1.000 H42 H 2.70400 3.22600 1.29300 1.000 H43 H 4.03200 2.76300 0.20200 1.000 H44 H 2.84800 3.99000 -0.30800 1.000 H45 H 0.77000 -2.00200 1.51900 1.000 H46 H 3.72800 -1.63600 0.98100 1.000 H47 H 2.77200 -3.13700 1.00200 1.000 H48 H 3.37200 -2.41400 -1.32000 1.000 H49 H 1.61200 -2.46500 -1.05600 1.000 H50 H 2.46800 -0.90400 -1.05600 1.000 H51 H 3.00600 -0.40000 2.84100 1.000 H52 H 0.82800 0.51100 3.17000 1.000 H53 H 1.55300 -2.94800 3.68400 1.000 H54 H 3.23500 -2.85400 3.10800 1.000 H55 H 2.77600 -2.08400 4.64600 1.000 H56 H -0.57700 0.51800 1.39100 1.000 H57 H -1.97400 -1.26400 1.82300 1.000 H58 H -3.07500 -3.35400 1.12800 1.000 H59 H -0.80300 -3.34800 -2.48400 1.000 H60 H 0.29600 -1.25800 -1.78800 1.000