# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQX' 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 -5.09500 0.15500 -1.39300 1.000 C1 C -4.09400 1.31500 -1.36700 1.000 C2 C -4.06800 1.92100 0.03900 1.000 C3 C -3.71600 0.82800 1.05200 1.000 C4 C -4.70300 -0.87000 -0.32500 1.000 O5 O -6.40700 0.65100 -1.12000 1.000 O6 O -4.49300 2.31200 -2.31000 1.000 O7 O -3.08500 2.95700 0.09400 1.000 O8 O -4.66800 -0.23400 0.95400 1.000 C9 C -3.74700 1.41300 2.46500 1.000 O10 O -3.30600 0.42400 3.39900 1.000 O11 O -3.41300 -1.40400 -0.62800 1.000 C12 C -3.04600 -2.52900 0.17400 1.000 C13 C -1.65400 -3.01400 -0.23400 1.000 O14 O -0.69000 -2.00500 0.06800 1.000 C15 C 0.65100 -2.36000 -0.27600 1.000 C16 C 1.59300 -1.21100 0.09000 1.000 C17 C 3.02800 -1.59100 -0.27900 1.000 C18 C 3.97000 -0.44200 0.08700 1.000 C19 C 5.40600 -0.82300 -0.28200 1.000 C20 C 6.34800 0.32600 0.08400 1.000 C21 C 7.78300 -0.05400 -0.28400 1.000 C22 C 8.72500 1.09500 0.08200 1.000 C23 C 10.16000 0.71400 -0.28700 1.000 C24 C 11.10200 1.86300 0.07900 1.000 H25 H -5.08000 -0.31700 -2.37500 1.000 H26 H -3.10100 0.94600 -1.62300 1.000 H27 H -5.04800 2.33600 0.27500 1.000 H28 H -2.71900 0.44300 0.83900 1.000 H29 H -5.43600 -1.67700 -0.31000 1.000 H30 H -7.09300 -0.03100 -1.12100 1.000 H31 H -4.53800 1.99400 -3.22200 1.000 H32 H -3.24300 3.68200 -0.52500 1.000 H33 H -3.08700 2.27900 2.51400 1.000 H34 H -4.76500 1.71600 2.71100 1.000 H35 H -3.30000 0.72600 4.31700 1.000 H36 H -3.03600 -2.23800 1.22500 1.000 H37 H -3.76900 -3.33100 0.02600 1.000 H38 H -1.41200 -3.92500 0.31400 1.000 H39 H -1.64100 -3.22100 -1.30400 1.000 H40 H 0.94200 -3.25600 0.27100 1.000 H41 H 0.71200 -2.55300 -1.34700 1.000 H42 H 1.30300 -0.31400 -0.45800 1.000 H43 H 1.53200 -1.01800 1.16100 1.000 H44 H 3.31900 -2.48800 0.26900 1.000 H45 H 3.08900 -1.78400 -1.35000 1.000 H46 H 3.68000 0.45400 -0.46100 1.000 H47 H 3.90900 -0.25000 1.15800 1.000 H48 H 5.69600 -1.71900 0.26600 1.000 H49 H 5.46700 -1.01500 -1.35300 1.000 H50 H 6.05700 1.22300 -0.46300 1.000 H51 H 6.28700 0.51900 1.15600 1.000 H52 H 8.07300 -0.95100 0.26300 1.000 H53 H 7.84400 -0.24700 -1.35500 1.000 H54 H 8.43500 1.99100 -0.46600 1.000 H55 H 8.66400 1.28700 1.15300 1.000 H56 H 10.45100 -0.18200 0.26100 1.000 H57 H 10.22200 0.52200 -1.35800 1.000 H58 H 10.81200 2.76000 -0.46800 1.000 H59 H 11.04100 2.05600 1.15000 1.000 H60 H 12.12500 1.59200 -0.18400 1.000