# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CRU' 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 5.45000 -1.08200 -0.92000 1.000 C1 C 5.79000 0.01300 -0.53800 1.000 O2 O 7.09400 0.32000 -0.45700 1.000 C3 C 4.75000 1.03600 -0.16000 1.000 C4 C 3.35500 0.43800 -0.34800 1.000 C5 C 2.31500 1.46100 0.03100 1.000 N6 N 2.67400 2.66400 0.34500 1.000 C7 C 0.89000 1.09200 0.04300 1.000 N8 N -0.09100 1.92700 0.26100 1.000 C9 C -1.27000 1.26600 0.20300 1.000 C10 C -0.93800 -0.14100 -0.08500 1.000 O11 O -1.71500 -1.06900 -0.21800 1.000 N12 N 0.40900 -0.18100 -0.17800 1.000 C13 C 1.21800 -1.37000 -0.46100 1.000 C14 C 1.69100 -1.97500 0.83500 1.000 O15 O 1.38500 -1.46600 1.88800 1.000 C16 C -2.53200 1.80300 0.38000 1.000 C17 C -3.71700 0.98800 0.11500 1.000 C18 C -4.86100 1.12600 0.91500 1.000 C19 C -5.96500 0.36200 0.66200 1.000 C20 C -5.95600 -0.55200 -0.38700 1.000 O21 O -7.05500 -1.30900 -0.63300 1.000 C22 C -4.82400 -0.69400 -1.18400 1.000 C23 C -3.71700 0.06900 -0.94600 1.000 O24 O 2.45400 -3.08000 0.82100 1.000 H25 H 7.72400 -0.36700 -0.71500 1.000 H26 H 4.88500 1.32200 0.88300 1.000 H27 H 4.85700 1.91500 -0.79500 1.000 H28 H 3.22000 0.15100 -1.39100 1.000 H29 H 3.24700 -0.44200 0.28700 1.000 H30 H 2.01400 3.30100 0.65900 1.000 H31 H 0.61500 -2.09800 -1.00300 1.000 H32 H 2.07900 -1.08700 -1.06600 1.000 H33 H -2.64300 2.82400 0.71400 1.000 H34 H -4.87000 1.83500 1.73000 1.000 H35 H -6.84600 0.46700 1.27800 1.000 H36 H -7.68000 -0.90500 -1.25000 1.000 H37 H -4.82400 -1.40600 -1.99700 1.000 H38 H -2.84100 -0.03900 -1.56900 1.000 H39 H 2.73300 -3.43100 1.67800 1.000