# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CUP' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.40600 6.20400 -1.79100 1.000 C1 C 0.13300 5.59800 -0.87000 1.000 O2 O 1.20700 4.66100 -1.08100 1.000 C3 C -0.22600 5.80600 0.57400 1.000 C4 C 0.72400 6.92100 1.04200 1.000 C5 C 0.51700 7.40500 2.45600 1.000 C6 C -0.62300 8.14900 2.79000 1.000 C7 C -0.80600 8.59200 4.10900 1.000 C8 C 0.16400 8.29300 5.07100 1.000 C9 C 1.29900 7.54200 4.74800 1.000 C10 C 1.48700 7.10500 3.42100 1.000 N11 N 0.07800 4.62700 1.40700 1.000 Cu12 Cu 1.52000 3.48900 0.87200 1.000 C13 C -0.60800 4.42200 2.45700 1.000 C14 C -0.56100 3.27500 3.39800 1.000 C15 C 0.34000 2.21300 3.34900 1.000 O16 O 1.34700 2.12600 2.43900 1.000 C17 C 0.25100 1.19200 4.31000 1.000 C18 C -0.73500 1.21500 5.28000 1.000 C19 C -1.63000 2.27100 5.32500 1.000 C20 C -1.54500 3.29200 4.39400 1.000 H21 H 0.03400 8.64900 6.08200 1.000 H22 H 2.02600 7.29900 5.50900 1.000 H23 H 2.37000 6.54500 3.15100 1.000 H24 H -1.35900 8.38100 2.03400 1.000 H25 H -1.68600 9.15700 4.37800 1.000 H26 H 1.75400 6.54400 0.96100 1.000 H27 H 0.59400 7.78100 0.36800 1.000 H28 H -1.27500 6.11900 0.68200 1.000 H29 H 0.96100 0.37900 4.29100 1.000 H30 H -0.80700 0.41300 5.99900 1.000 H31 H -2.39500 2.29800 6.08700 1.000 H32 H -2.24700 4.11200 4.43600 1.000 H33 H -1.32700 5.19100 2.69900 1.000