# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JQS' 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 3.64900 1.07900 0.50500 1.000 C1 C 1.53100 1.29100 0.92500 1.000 C2 C 0.45800 -1.92300 0.86800 1.000 O3 O -1.37700 -3.50700 0.55400 1.000 C4 C 5.08600 1.35500 0.47000 1.000 O5 O 5.57400 2.46400 1.06400 1.000 O6 O 1.13200 -3.09700 0.41000 1.000 C7 C 0.59500 -0.78200 -0.16500 1.000 C8 C 3.72000 -0.96000 -2.04100 1.000 C9 C -1.06400 -2.17200 0.95800 1.000 C10 C -1.67000 -1.15200 -0.03100 1.000 C11 C -2.98700 -0.59800 0.51700 1.000 C12 C 3.00400 -0.02300 -0.05700 1.000 N13 N 2.69400 1.84500 1.09400 1.000 N14 N 1.67200 0.13100 0.22400 1.000 N15 N 3.58000 -1.04200 -0.74400 1.000 N16 N 3.28800 0.15000 -2.70400 1.000 O17 O -3.58900 0.25300 -0.46000 1.000 O18 O -4.82400 2.08100 0.97000 1.000 O19 O -5.42600 1.77100 -1.57100 1.000 O20 O -6.02800 0.02100 0.14600 1.000 O21 O -0.67800 -0.10100 -0.13200 1.000 O22 O 5.84000 0.58500 -0.09300 1.000 P23 P -4.99000 1.01000 -0.22100 1.000 H24 H 0.59500 1.68600 1.29100 1.000 H25 H 0.85200 -1.61100 1.83600 1.000 H26 H -0.97100 -4.19000 1.10600 1.000 H27 H 6.53300 2.56100 0.98900 1.000 H28 H 1.05400 -3.85300 1.00700 1.000 H29 H 0.78400 -1.19000 -1.15800 1.000 H30 H 4.17800 -1.77100 -2.58700 1.000 H31 H -1.42200 -1.98700 1.97000 1.000 H32 H -1.83000 -1.61500 -1.00400 1.000 H33 H -3.66200 -1.42300 0.74500 1.000 H34 H -2.79100 -0.02700 1.42500 1.000 H35 H 2.87600 0.87900 -2.21300 1.000 H36 H 3.39200 0.21200 -3.66600 1.000 H37 H -4.15900 2.76100 0.79800 1.000 H38 H -6.26300 2.25000 -1.49900 1.000