# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQ6' 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 6.67300 1.44500 -0.04800 1.000 N1 N 2.94600 -0.21800 -0.39300 1.000 O2 O 4.72800 -0.83500 1.14500 1.000 S3 S 4.23500 0.32700 0.49200 1.000 C4 C 5.42200 0.91100 -0.74900 1.000 N5 N -1.88000 -1.19200 -0.15800 1.000 O6 O 3.71300 1.41900 1.23600 1.000 C7 C 2.86700 -1.61600 -0.84800 1.000 N8 N -0.59200 0.68000 -0.57300 1.000 O9 O -6.90000 0.43200 0.71500 1.000 C10 C 1.66400 -2.26800 -0.16600 1.000 N11 N -2.91800 0.88100 -0.46100 1.000 C12 C 0.45300 -1.38300 -0.26300 1.000 C13 C -0.80300 -1.95400 -0.08600 1.000 C14 C -1.77200 0.10700 -0.39600 1.000 C15 C 0.52800 -0.03000 -0.51800 1.000 C16 C 1.83600 0.67300 -0.74900 1.000 C17 C -4.23100 0.26200 -0.26700 1.000 C18 C -5.30200 1.10300 -0.96900 1.000 C19 C -6.67900 0.49300 -0.69500 1.000 C20 C -5.95700 -0.37900 1.41900 1.000 C21 C -4.55100 0.19600 1.23000 1.000 H22 H 6.39600 2.27100 0.60800 1.000 H23 H 7.12600 0.64900 0.54300 1.000 H24 H 7.38600 1.79600 -0.79400 1.000 H25 H 4.96900 1.70700 -1.33900 1.000 H26 H 5.69900 0.08500 -1.40500 1.000 H27 H 2.73800 -1.64500 -1.92900 1.000 H28 H 3.77900 -2.14600 -0.57100 1.000 H29 H 1.45100 -3.22100 -0.64800 1.000 H30 H 1.89800 -2.44200 0.88500 1.000 H31 H -2.85100 1.83300 -0.63400 1.000 H32 H -0.89700 -3.01200 0.11000 1.000 H33 H 1.87800 1.57100 -0.13300 1.000 H34 H 1.91500 0.95000 -1.80000 1.000 H35 H -4.22600 -0.74400 -0.68500 1.000 H36 H -5.27300 2.12300 -0.58600 1.000 H37 H -5.11400 1.11000 -2.04300 1.000 H38 H -6.72100 -0.51200 -1.11400 1.000 H39 H -7.44900 1.11200 -1.15700 1.000 H40 H -6.20600 -0.38900 2.48000 1.000 H41 H -5.98900 -1.39600 1.02800 1.000 H42 H -3.82500 -0.44600 1.72900 1.000 H43 H -4.50600 1.19800 1.65700 1.000