# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQY' 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 -6.20500 2.80900 2.47000 1.000 C1 C -6.06000 1.30600 2.22600 1.000 C2 C -5.01100 -0.20300 0.71900 1.000 C3 C -4.24400 -0.56500 -0.36000 1.000 C4 C -5.18300 -2.48100 0.91400 1.000 C5 C -5.51900 -1.28600 1.40800 1.000 C6 C -3.59600 0.33100 -1.24700 1.000 C7 C -1.58100 1.12400 -2.39700 1.000 C8 C -0.29200 1.54100 -1.68100 1.000 C9 C -0.26200 -0.50200 -0.37500 1.000 C10 C -1.54900 -1.00300 -1.03800 1.000 C11 C 1.73300 0.68400 -0.81700 1.000 C12 C 2.09600 2.02100 -0.70500 1.000 C13 C 3.33600 2.36000 -0.19800 1.000 C14 C 4.21800 1.37300 0.19800 1.000 C15 C 3.86100 0.03500 0.08700 1.000 C16 C 2.61600 -0.31000 -0.42000 1.000 C17 C 5.16400 -1.79800 -0.66100 1.000 C18 C 5.35900 -3.23100 -0.13100 1.000 C19 C 5.00400 -3.15700 1.37200 1.000 C20 C 4.11500 -1.89000 1.45600 1.000 N21 N -2.29400 0.15700 -1.54800 1.000 N22 N 0.47700 0.34200 -1.32400 1.000 N23 N 4.75300 -0.96200 0.48800 1.000 N24 N 5.54500 1.74200 0.74000 1.000 O25 O -5.24000 1.08700 1.07600 1.000 O26 O -4.21600 1.25800 -1.73600 1.000 O27 O 6.36000 0.87400 0.99700 1.000 O28 O 5.82200 2.91300 0.92800 1.000 S29 S -4.19400 -2.32000 -0.46600 1.000 H30 H -5.22100 3.24600 2.63700 1.000 H31 H -6.66700 3.27600 1.60000 1.000 H32 H -6.83000 2.97600 3.34700 1.000 H33 H -5.59800 0.83900 3.09600 1.000 H34 H -7.04500 0.86800 2.05800 1.000 H35 H -5.49700 -3.42500 1.33300 1.000 H36 H -6.14300 -1.17500 2.28300 1.000 H37 H -2.20800 2.00000 -2.56100 1.000 H38 H -1.33800 0.66200 -3.35400 1.000 H39 H 0.30300 2.17200 -2.34100 1.000 H40 H -0.54100 2.09600 -0.77600 1.000 H41 H -0.51200 0.08000 0.51100 1.000 H42 H 0.35500 -1.35400 -0.08900 1.000 H43 H -1.30100 -1.67100 -1.86300 1.000 H44 H -2.15400 -1.53700 -0.30500 1.000 H45 H 1.41000 2.79500 -1.01400 1.000 H46 H 3.61600 3.40000 -0.11100 1.000 H47 H 2.33600 -1.34900 -0.50700 1.000 H48 H 6.10100 -1.42500 -1.07500 1.000 H49 H 4.38700 -1.78800 -1.42500 1.000 H50 H 4.68800 -3.91900 -0.64500 1.000 H51 H 6.39500 -3.54400 -0.25900 1.000 H52 H 4.44600 -4.04100 1.68100 1.000 H53 H 5.90300 -3.03700 1.97600 1.000 H54 H 3.09200 -2.11700 1.15400 1.000 H55 H 4.13400 -1.47300 2.46300 1.000