# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COQ' 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 1.20100 -0.33800 -5.11000 1.000 C1 C -0.79700 -1.01100 -4.15800 1.000 C2 C -0.51200 -0.18500 -3.04300 1.000 C3 C -1.38100 -0.08800 -1.95000 1.000 C4 C -1.02000 0.74900 -0.90700 1.000 C5 C 0.18400 1.45100 -0.97400 1.000 C6 C 0.69300 0.55700 -3.04100 1.000 C7 C -1.46400 1.76800 1.31000 1.000 C8 C -0.66400 0.98700 2.32000 1.000 C9 C 0.70900 0.91000 2.20100 1.000 C10 C 1.44900 0.19100 3.12900 1.000 C11 C 0.80600 -0.45400 4.17400 1.000 C12 C -0.57200 -0.37100 4.29400 1.000 C13 C -1.30600 0.34800 3.36300 1.000 C14 C 3.26600 -0.68100 4.10200 1.000 C15 C -0.19200 -1.64500 6.09500 1.000 C16 C -3.11700 0.14700 0.27200 1.000 N17 N 1.51400 0.44600 -4.09600 1.000 N18 N 2.07700 -0.42200 -6.17600 1.000 N19 N 0.07900 -1.05100 -5.15000 1.000 N20 N -1.95700 -1.75400 -4.20900 1.000 N21 N 0.98900 1.34300 -2.00600 1.000 N22 N -1.85400 0.88600 0.20700 1.000 O23 O 2.80000 0.11600 3.01200 1.000 O24 O -1.20400 -1.00000 5.32000 1.000 H25 H -2.30600 -0.64600 -1.92100 1.000 H26 H 0.46200 2.09900 -0.15600 1.000 H27 H -2.35800 2.17000 1.78700 1.000 H28 H -0.85900 2.58800 0.92200 1.000 H29 H 1.20900 1.41100 1.38400 1.000 H30 H 1.38000 -1.01400 4.89800 1.000 H31 H -2.38100 0.40900 3.45400 1.000 H32 H 4.35100 -0.76900 4.04900 1.000 H33 H 2.98500 -0.20900 5.04300 1.000 H34 H 2.81700 -1.67200 4.04400 1.000 H35 H -0.65300 -2.16600 6.93400 1.000 H36 H 0.34100 -2.36300 5.47200 1.000 H37 H 0.50800 -0.90000 6.47200 1.000 H38 H -3.62700 0.37900 1.20700 1.000 H39 H -3.75000 0.43500 -0.56700 1.000 H40 H -2.91500 -0.92200 0.22400 1.000 H41 H 1.86800 -0.99300 -6.93200 1.000 H42 H 2.90200 0.08800 -6.16700 1.000 H43 H -2.13900 -2.31600 -4.97800 1.000 H44 H -2.59100 -1.71600 -3.47600 1.000