# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9C9' 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 2.54700 -0.36600 -1.39800 1.000 O1 O 2.03900 -0.72300 -2.44000 1.000 Cl2 Cl 2.43200 -0.59200 3.16500 1.000 C3 C 1.62000 -1.56500 1.97800 1.000 C4 C 0.32900 -2.00400 2.20900 1.000 C5 C -0.31800 -2.77800 1.26400 1.000 C6 C 0.32600 -3.11500 0.08800 1.000 C7 C 1.61700 -2.67600 -0.14400 1.000 Cl8 Cl 2.42200 -3.09300 -1.62500 1.000 C9 C 2.26300 -1.89700 0.79900 1.000 C10 C 3.67000 -1.41900 0.54700 1.000 C11 C 3.81800 -1.02200 -0.92300 1.000 C12 C 4.98100 -0.03600 -1.07200 1.000 N13 N 5.00000 0.86300 0.08600 1.000 C14 C 3.89400 1.65900 0.36500 1.000 N15 N 4.01000 2.94500 0.41100 1.000 N16 N 5.22700 3.55200 0.07500 1.000 C17 C 5.93900 4.36400 1.06500 1.000 C18 C 5.78700 3.37500 -1.26700 1.000 C19 C 2.55700 1.00200 0.61300 1.000 N20 N 1.97300 0.61500 -0.67800 1.000 C21 C 0.77500 1.29300 -1.17900 1.000 C22 C -0.44400 0.47000 -0.84700 1.000 O23 O -0.32100 -0.58900 -0.26800 1.000 N24 N -1.66900 0.91100 -1.19400 1.000 C25 C -2.80600 0.19100 -0.80900 1.000 C26 C -4.01700 0.84500 -0.64000 1.000 C27 C -5.14500 0.12600 -0.25700 1.000 C28 C -5.05200 -1.24800 -0.04500 1.000 C29 C -3.84200 -1.89300 -0.21500 1.000 C30 C -2.72300 -1.18000 -0.60100 1.000 C31 C -6.44500 0.82000 -0.07500 1.000 C32 C -6.68500 2.19700 -0.25300 1.000 N33 N -7.94700 2.42400 -0.00000 1.000 N34 N -8.55700 1.21300 0.34700 1.000 C35 C -9.96600 1.03200 0.70400 1.000 C36 C -7.62400 0.24000 0.29000 1.000 H37 H -0.17400 -1.74200 3.12800 1.000 H38 H -1.32600 -3.12000 1.44500 1.000 H39 H -0.18000 -3.72000 -0.65000 1.000 H40 H 3.87900 -0.55700 1.17900 1.000 H41 H 4.37200 -2.22000 0.78000 1.000 H42 H 4.01400 -1.91100 -1.52300 1.000 H43 H 5.92000 -0.58600 -1.12300 1.000 H44 H 4.84900 0.54700 -1.98400 1.000 H45 H 5.78400 0.90300 0.65700 1.000 H46 H 6.62100 3.73000 1.63200 1.000 H47 H 6.50600 5.14300 0.55700 1.000 H48 H 5.22000 4.82200 1.74400 1.000 H49 H 5.49400 4.21500 -1.89700 1.000 H50 H 6.87500 3.33100 -1.20300 1.000 H51 H 5.41000 2.44800 -1.69900 1.000 H52 H 2.69500 0.11600 1.23200 1.000 H53 H 1.89400 1.70300 1.12000 1.000 H54 H 0.68900 2.27300 -0.71100 1.000 H55 H 0.84900 1.41200 -2.26000 1.000 H56 H -1.76300 1.72700 -1.70900 1.000 H57 H -4.08400 1.91100 -0.80500 1.000 H58 H -5.92600 -1.80900 0.25200 1.000 H59 H -3.77300 -2.95900 -0.05400 1.000 H60 H -1.78000 -1.68900 -0.73300 1.000 H61 H -5.95400 2.93500 -0.54700 1.000 H62 H -10.54400 0.82000 -0.19600 1.000 H63 H -10.06000 0.20000 1.40100 1.000 H64 H -10.34200 1.94200 1.17100 1.000 H65 H -7.78200 -0.80800 0.49900 1.000