# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQQ' 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 -9.59800 1.98800 -0.49000 1.000 N1 N -10.35700 3.03700 -0.24400 1.000 C2 C -9.89700 4.09300 0.39800 1.000 C3 C -8.58900 4.14400 0.84300 1.000 C4 C -7.75200 3.06600 0.60900 1.000 C5 C -8.26800 1.96200 -0.07400 1.000 C6 C -7.41500 0.78100 -0.35200 1.000 N7 N -6.17800 0.71100 0.13500 1.000 C8 C -7.89900 -0.27800 -1.12400 1.000 C9 C -7.06700 -1.35900 -1.35700 1.000 N10 N -5.84600 -1.35800 -0.84500 1.000 C11 C -5.41500 -0.34200 -0.11100 1.000 N12 N -4.13300 -0.38300 0.41100 1.000 C13 C -3.35000 -1.53100 0.25200 1.000 C14 C -1.97500 -1.41800 0.10600 1.000 C15 C -3.94800 -2.78500 0.24700 1.000 C16 C -3.17500 -3.91900 0.09100 1.000 C17 C -1.80600 -3.81100 -0.06000 1.000 C18 C -1.20100 -2.56000 -0.05000 1.000 N19 N 0.18500 -2.45100 -0.20300 1.000 C20 C 0.86300 -1.49600 0.46400 1.000 O21 O 0.26200 -0.67600 1.13000 1.000 C22 C 2.33600 -1.44600 0.38500 1.000 C23 C 3.04100 -0.45700 1.07500 1.000 C24 C 4.41500 -0.41300 1.00000 1.000 C25 C 3.02900 -2.39200 -0.37600 1.000 C26 C 4.40300 -2.34300 -0.44700 1.000 C27 C 5.10200 -1.35300 0.23800 1.000 N28 N 6.49300 -1.30600 0.16400 1.000 C29 C 7.12700 -0.11700 0.13900 1.000 O30 O 6.49500 0.91000 0.26700 1.000 C31 C 8.62200 -0.06300 -0.04600 1.000 C32 C 9.08500 1.39500 -0.03600 1.000 C33 C 10.60200 1.44900 -0.22500 1.000 N34 N 11.04700 2.84900 -0.21500 1.000 C35 C 12.51200 2.93600 -0.15500 1.000 C36 C 10.52400 3.57600 -1.38000 1.000 H37 H -10.01200 1.14000 -1.01500 1.000 H38 H -10.55200 4.93200 0.57900 1.000 H39 H -8.22400 5.01500 1.36800 1.000 H40 H -6.72600 3.07900 0.94600 1.000 H41 H -8.90000 -0.25400 -1.53000 1.000 H42 H -7.41000 -2.19400 -1.94900 1.000 H43 H -3.77800 0.38500 0.88600 1.000 H44 H -1.50700 -0.44500 0.11400 1.000 H45 H -5.01800 -2.87300 0.36500 1.000 H46 H -3.64200 -4.89300 0.08800 1.000 H47 H -1.20400 -4.70000 -0.18100 1.000 H48 H 0.65800 -3.06300 -0.78900 1.000 H49 H 2.50900 0.27300 1.66700 1.000 H50 H 4.96000 0.35200 1.53300 1.000 H51 H 2.48700 -3.16100 -0.90700 1.000 H52 H 4.93900 -3.07300 -1.03400 1.000 H53 H 7.00500 -2.12900 0.13000 1.000 H54 H 9.10800 -0.60400 0.76600 1.000 H55 H 8.88600 -0.52200 -0.99900 1.000 H56 H 8.59800 1.93600 -0.84800 1.000 H57 H 11.08900 0.90800 0.58700 1.000 H58 H 10.86700 0.99000 -1.17700 1.000 H59 H 12.94100 2.43800 -1.02500 1.000 H60 H 12.81400 3.98300 -0.15000 1.000 H61 H 12.86800 2.45000 0.75300 1.000 H62 H 9.43400 3.55500 -1.36200 1.000 H63 H 10.86800 4.60900 -1.34900 1.000 H64 H 10.88100 3.10100 -2.29400 1.000 H65 H 8.82000 1.85400 0.91600 1.000