# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C7U' 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 -5.90200 1.53000 0.85100 1.000 C1 C -5.24300 2.24400 -0.34500 1.000 Cl2 Cl -6.43400 2.46800 -1.68100 1.000 C3 C -4.80700 3.61100 0.22600 1.000 O4 O -4.63600 3.38200 1.63900 1.000 C5 C -5.72100 2.51700 2.03700 1.000 O6 O -5.29200 1.74500 3.16600 1.000 C7 C -5.21300 0.35500 2.81600 1.000 C8 C -5.01300 0.33500 1.27900 1.000 O9 O -3.62300 0.56500 0.92900 1.000 C10 C -2.87500 -0.52000 0.65400 1.000 O11 O -3.36900 -1.62800 0.70400 1.000 N12 N -1.57600 -0.37600 0.32200 1.000 C13 C -0.76200 -1.55600 0.02200 1.000 C14 C -0.94300 -1.94100 -1.44800 1.000 C15 C -2.36800 -2.37000 -1.68200 1.000 C16 C -3.32000 -1.43600 -2.04900 1.000 C17 C -4.62700 -1.83000 -2.26400 1.000 C18 C -4.98300 -3.15700 -2.11300 1.000 C19 C -4.03200 -4.09100 -1.74700 1.000 C20 C -2.72300 -3.69800 -1.53600 1.000 C21 C 0.71100 -1.24000 0.28900 1.000 O22 O 1.15500 -0.23300 -0.62300 1.000 C23 C 1.54800 -2.50700 0.09500 1.000 N24 N 2.93500 -2.24000 0.48400 1.000 C25 C 3.30900 -2.22400 1.90000 1.000 C26 C 3.65500 -3.64400 2.35200 1.000 C27 C 4.17600 -3.60800 3.79000 1.000 C28 C 2.40300 -4.52000 2.28600 1.000 S29 S 4.08000 -1.95600 -0.67800 1.000 O30 O 5.31300 -2.42200 -0.14800 1.000 O31 O 3.53400 -2.42600 -1.90300 1.000 C32 C 4.23700 -0.20900 -0.84100 1.000 C33 C 5.05700 0.48900 0.02200 1.000 C34 C 5.18200 1.86300 -0.10400 1.000 O35 O 5.88500 2.80500 0.56700 1.000 C36 C 5.62700 4.00000 0.00800 1.000 N37 N 6.16400 5.19700 0.42200 1.000 C38 C 5.80600 6.43800 -0.26900 1.000 N39 N 4.79100 3.85800 -0.98900 1.000 C40 C 4.47400 2.53900 -1.10900 1.000 C41 C 3.64900 1.82100 -1.97500 1.000 C42 C 3.54000 0.45400 -1.83900 1.000 H43 H -6.94300 1.26000 0.66700 1.000 H44 H -4.37800 1.68100 -0.69700 1.000 H45 H -6.63300 3.07900 2.24000 1.000 H46 H -5.37600 -0.59900 0.84800 1.000 H47 H -3.86700 3.92800 -0.22500 1.000 H48 H -5.58200 4.35900 0.05400 1.000 H49 H -4.36400 -0.11300 3.31300 1.000 H50 H -6.13800 -0.15600 3.08300 1.000 H51 H -1.18100 0.50900 0.28200 1.000 H52 H -1.07600 -2.38500 0.65600 1.000 H53 H -0.71300 -1.08200 -2.07900 1.000 H54 H -0.27100 -2.76300 -1.69400 1.000 H55 H 0.82700 -0.88100 1.31100 1.000 H56 H -3.04200 -0.40000 -2.16700 1.000 H57 H -1.97900 -4.42800 -1.25400 1.000 H58 H -5.37100 -1.10100 -2.55000 1.000 H59 H -6.00500 -3.46500 -2.28100 1.000 H60 H -4.31000 -5.12800 -1.62900 1.000 H61 H 1.14700 -0.51000 -1.55000 1.000 H62 H 1.14400 -3.30600 0.71600 1.000 H63 H 1.51500 -2.80700 -0.95200 1.000 H64 H 4.17500 -1.57600 2.04000 1.000 H65 H 2.47400 -1.84700 2.49200 1.000 H66 H 4.42300 -4.05600 1.69800 1.000 H67 H 3.40900 -3.19500 4.44500 1.000 H68 H 4.42300 -4.62000 4.11300 1.000 H69 H 5.06900 -2.98400 3.83800 1.000 H70 H 2.61400 -5.49000 2.73600 1.000 H71 H 1.59100 -4.03600 2.82900 1.000 H72 H 2.11100 -4.65800 1.24400 1.000 H73 H 5.59900 -0.03400 0.79500 1.000 H74 H 2.90500 -0.10300 -2.51200 1.000 H75 H 6.09700 6.36800 -1.31700 1.000 H76 H 4.73000 6.59500 -0.20000 1.000 H77 H 6.32500 7.27600 0.19700 1.000 H78 H 3.10100 2.33400 -2.75200 1.000 H79 H 6.77900 5.21900 1.17200 1.000