# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQ0' 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 2.50800 2.61500 0.20500 1.000 C1 C 1.17400 2.25500 0.20100 1.000 C2 C 0.81000 0.91400 0.07700 1.000 C3 C 1.79400 -0.06300 -0.04500 1.000 C4 C 3.13800 0.30500 -0.04200 1.000 C5 C 3.48900 1.65100 0.07900 1.000 C6 C -0.62200 0.53100 0.07400 1.000 C7 C -1.18900 -0.05500 1.19000 1.000 C8 C -2.54900 -0.40700 1.15800 1.000 N9 N -3.29100 -0.16600 0.02700 1.000 C10 C -2.72300 0.41400 -1.07000 1.000 C11 C -1.42300 0.76700 -1.06900 1.000 N12 N -3.36300 -0.96900 2.03900 1.000 N13 N -4.53700 -1.08300 1.52500 1.000 C14 C -4.54700 -0.61100 0.30500 1.000 C15 C -5.73400 -0.56700 -0.62400 1.000 C16 C 0.11000 3.31400 0.33300 1.000 C17 C 4.18900 -0.72600 -0.17100 1.000 N18 N 5.48800 -0.36800 -0.16700 1.000 C19 C 6.53000 -1.39000 -0.29500 1.000 C20 C 7.88300 -0.95300 -0.85900 1.000 C21 C 7.74500 -1.28100 0.62900 1.000 O22 O 3.88200 -1.89700 -0.28000 1.000 C23 C -5.42300 -1.37300 -1.88600 1.000 C24 C -6.95300 -1.16700 0.07800 1.000 C25 C -6.02800 0.88500 -1.00600 1.000 H26 H 2.78400 3.65400 0.30100 1.000 H27 H 1.51600 -1.10300 -0.14200 1.000 H28 H 4.53000 1.93900 0.08100 1.000 H29 H -0.59500 -0.24100 2.07300 1.000 H30 H -3.32300 0.59500 -1.94900 1.000 H31 H -0.99000 1.22900 -1.94400 1.000 H32 H -0.17200 3.67100 -0.65700 1.000 H33 H -0.76400 2.89100 0.82900 1.000 H34 H 0.49600 4.14500 0.92400 1.000 H35 H 5.73400 0.56600 -0.08000 1.000 H36 H 6.17900 -2.39100 -0.54800 1.000 H37 H 8.42200 -1.66600 -1.48400 1.000 H38 H 7.99800 0.09500 -1.13600 1.000 H39 H 7.76800 -0.44800 1.33200 1.000 H40 H 8.19200 -2.20900 0.98400 1.000 H41 H -5.21300 -2.40800 -1.61400 1.000 H42 H -6.28100 -1.34100 -2.55800 1.000 H43 H -4.55400 -0.94600 -2.38600 1.000 H44 H -7.17400 -0.59200 0.97800 1.000 H45 H -7.81100 -1.13500 -0.59300 1.000 H46 H -6.74300 -2.20100 0.35100 1.000 H47 H -5.15900 1.31300 -1.50600 1.000 H48 H -6.88600 0.91700 -1.67700 1.000 H49 H -6.24900 1.46000 -0.10600 1.000