# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CMU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 4.08000 4.79800 -1.18500 1.000 C1 C 2.83800 5.40000 -0.15200 1.000 C2 C 1.56000 4.98800 -0.19800 1.000 C3 C 1.01300 3.96600 -1.12800 1.000 N4 N 1.13500 2.67800 -0.49100 1.000 C5 C 0.25100 2.30900 0.60100 1.000 C6 C 0.88900 1.01400 1.10900 1.000 C7 C 1.54400 0.38500 -0.12200 1.000 C8 C 1.85800 1.60300 -0.96200 1.000 N9 N 2.67400 1.51100 -1.95600 1.000 N10 N 0.62400 5.51900 0.66500 1.000 C11 C 0.90100 6.48500 1.61800 1.000 O12 O 0.04400 6.94000 2.37500 1.000 N13 N 2.23000 6.90000 1.65200 1.000 C14 C 3.25200 6.43700 0.83600 1.000 O15 O 4.40900 6.84100 0.91400 1.000 H16 H 1.58400 3.98500 -2.06000 1.000 H17 H -0.03600 4.19100 -1.33500 1.000 H18 H -0.76000 2.12500 0.22400 1.000 H19 H 0.21500 3.07300 1.38300 1.000 H20 H 0.16400 0.34900 1.58700 1.000 H21 H 1.66300 1.25400 1.84900 1.000 H22 H 0.84200 -0.25100 -0.67000 1.000 H23 H 2.44500 -0.18000 0.12600 1.000 H24 H 2.76500 2.42800 -2.40500 1.000 H25 H -0.33000 5.17800 0.59500 1.000 H26 H 2.47300 7.60900 2.33800 1.000