# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQP' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -9.77000 -0.47300 -0.17300 1.000 C1 C -8.10600 0.02400 -0.17900 1.000 C2 C -7.45900 0.28800 1.01500 1.000 C3 C -6.13500 0.68400 1.01000 1.000 C4 C -5.45700 0.81500 -0.18800 1.000 C5 C -4.01300 1.24600 -0.19300 1.000 O6 O -3.17100 0.09400 -0.11800 1.000 C7 C -1.82300 0.56700 -0.12600 1.000 C8 C -1.31200 0.75700 1.31800 1.000 N9 N 0.11100 0.33300 1.27100 1.000 C10 C 0.10900 -0.85300 0.37700 1.000 C11 C 1.50600 -1.08800 -0.20200 1.000 N12 N 2.47000 -1.23100 0.89200 1.000 S13 S 3.97000 -1.86600 0.59500 1.000 O14 O 3.74700 -3.04200 -0.17000 1.000 O15 O 4.66500 -1.81000 1.83400 1.000 C16 C 4.81200 -0.74900 -0.47700 1.000 C17 C 5.16900 -1.14100 -1.73200 1.000 C18 C 5.83500 -0.27100 -2.59300 1.000 C19 C 6.14900 0.99700 -2.20700 1.000 C20 C 5.79700 1.43600 -0.92100 1.000 C21 C 6.09600 2.73100 -0.46700 1.000 N22 N 5.74700 3.09500 0.74400 1.000 C23 C 5.11200 2.28700 1.58200 1.000 C24 C 4.77800 1.01300 1.23900 1.000 C25 C 5.11400 0.55000 -0.04700 1.000 C26 C -6.10300 0.55000 -1.38100 1.000 C27 C -0.88800 -0.49200 -0.74800 1.000 C28 C -7.42600 0.14900 -1.37700 1.000 H29 H -7.98900 0.18600 1.95100 1.000 H30 H -5.62900 0.89000 1.94200 1.000 H31 H -3.80000 1.79300 -1.11200 1.000 H32 H -3.82400 1.89100 0.66500 1.000 H33 H -1.75400 1.50400 -0.67900 1.000 H34 H -1.38700 1.80300 1.61300 1.000 H35 H -1.87400 0.12600 2.00600 1.000 H36 H 0.34500 0.00000 2.19400 1.000 H37 H -0.23100 -1.73700 0.91700 1.000 H38 H 1.50200 -1.99600 -0.80400 1.000 H39 H 1.78800 -0.23900 -0.82600 1.000 H40 H 2.22900 -0.95500 1.79000 1.000 H41 H 4.93200 -2.14000 -2.06500 1.000 H42 H 6.10600 -0.60700 -3.58300 1.000 H43 H 6.66700 1.66000 -2.88500 1.000 H44 H 6.61200 3.42500 -1.11400 1.000 H45 H 4.85300 2.65000 2.56600 1.000 H46 H 4.26100 0.37100 1.93700 1.000 H47 H -5.57300 0.65300 -2.31600 1.000 H48 H -1.45800 -1.37100 -1.04600 1.000 H49 H -0.35800 -0.07500 -1.60500 1.000 H50 H -7.93100 -0.05800 -2.30900 1.000