# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'PQ1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P 6.14500 3.52300 -0.25100 1.000 O1 O 6.45600 2.53800 -1.49500 1.000 O2 O 6.84300 2.77300 1.00000 1.000 O3 O 4.56600 3.30100 0.02900 1.000 C4 C 4.09200 1.98000 0.22300 1.000 C5 C 2.59500 2.03100 0.46500 1.000 O6 O 1.93300 2.57400 -0.68900 1.000 C7 C 0.62200 1.97600 -0.78400 1.000 N8 N 0.42400 1.45000 -2.13600 1.000 C9 C -0.76000 1.41300 -2.82600 1.000 N10 N -1.93100 1.87600 -2.32500 1.000 C11 C -2.94400 1.74500 -3.15000 1.000 N12 N -4.21000 2.15600 -2.81900 1.000 N13 N -2.81000 1.17400 -4.43300 1.000 C14 C -1.61500 0.68800 -4.97800 1.000 O15 O -1.50700 0.19400 -6.09400 1.000 C16 C -0.51600 0.84100 -4.05700 1.000 C17 C 0.85600 0.51800 -4.12300 1.000 C18 C 1.41500 0.90500 -2.92200 1.000 C19 C 1.57100 -0.11000 -5.25000 1.000 N20 N 2.10300 0.85400 -6.18900 1.000 C21 C 0.51800 0.91300 0.31000 1.000 O22 O -0.21000 1.44500 1.41500 1.000 C23 C 1.96900 0.66300 0.67700 1.000 O24 O 2.14300 0.19700 1.99800 1.000 O25 O 6.56000 4.95200 -0.44400 1.000 H26 H 7.35100 2.54800 -1.89600 1.000 H27 H 7.81400 2.84200 1.11300 1.000 H28 H 4.30800 1.38800 -0.66800 1.000 H29 H 4.59700 1.54100 1.08500 1.000 H30 H 2.39900 2.69300 1.31700 1.000 H31 H -0.12500 2.76900 -0.67300 1.000 H32 H -4.95100 1.49800 -2.88800 1.000 H33 H -4.33700 3.09600 -2.52400 1.000 H34 H -3.64500 1.11100 -5.00800 1.000 H35 H 2.43200 0.84000 -2.55800 1.000 H36 H 2.42400 -0.72300 -4.90600 1.000 H37 H 0.92300 -0.79100 -5.83000 1.000 H38 H 2.92500 0.61500 -6.71200 1.000 H39 H 1.77000 1.80000 -6.14900 1.000 H40 H -0.00000 0.00100 -0.00300 1.000 H41 H -1.06200 1.76800 1.07100 1.000 H42 H 2.40300 -0.06500 -0.01900 1.000 H43 H 3.00300 0.53100 2.29400 1.000