# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXQ' 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 5.13600 0.14600 0.39600 1.000 N1 N 3.98800 -0.54200 -0.21000 1.000 C2 C 3.09300 -1.10700 0.83500 1.000 C3 C 2.29900 0.11300 1.35500 1.000 C4 C 2.31200 1.12100 0.18700 1.000 C5 C 3.11200 0.41700 -0.93400 1.000 C6 C 2.10200 -2.04500 0.12700 1.000 C7 C 1.23100 -1.22000 -0.82400 1.000 C8 C 2.12300 -0.41000 -1.77000 1.000 O9 O 0.41000 -0.33000 -0.06600 1.000 C10 C -0.84200 -0.02600 -0.68300 1.000 C11 C -1.87600 -1.02900 -0.24000 1.000 C12 C -2.79700 -1.51800 -1.14700 1.000 C13 C -3.74600 -2.43800 -0.74100 1.000 C14 C -3.77400 -2.86800 0.57200 1.000 C15 C -2.85300 -2.37800 1.47900 1.000 C16 C -1.90100 -1.46300 1.07200 1.000 C17 C -1.96000 2.15800 -1.17600 1.000 C18 C -2.36100 3.42800 -0.80500 1.000 C19 C -2.08000 3.89800 0.46500 1.000 C20 C -1.39900 3.09800 1.36300 1.000 C21 C -0.99800 1.82800 0.99200 1.000 C22 C -1.27900 1.35800 -0.27800 1.000 H23 H 5.70600 -0.56000 1.00000 1.000 H24 H 5.77400 0.54900 -0.39000 1.000 H25 H 4.77900 0.96000 1.02800 1.000 H26 H 3.64900 -1.60600 1.62900 1.000 H27 H 1.27600 -0.17500 1.59700 1.000 H28 H 2.79100 0.54000 2.23000 1.000 H29 H 1.29500 1.32800 -0.14600 1.000 H30 H 2.80800 2.04400 0.48700 1.000 H31 H 3.68400 1.12300 -1.53700 1.000 H32 H 2.65200 -2.79600 -0.44000 1.000 H33 H 1.47200 -2.53700 0.86900 1.000 H34 H 0.59800 -1.88800 -1.40700 1.000 H35 H 1.50600 0.25700 -2.37100 1.000 H36 H 2.67400 -1.08800 -2.42200 1.000 H37 H -0.73400 -0.07000 -1.76600 1.000 H38 H -2.77600 -1.18200 -2.17400 1.000 H39 H -4.46600 -2.82000 -1.45000 1.000 H40 H -4.51900 -3.58300 0.89100 1.000 H41 H -2.87500 -2.71400 2.50600 1.000 H42 H -1.18100 -1.08100 1.78100 1.000 H43 H -2.18400 1.79000 -2.16600 1.000 H44 H -2.89200 4.05400 -1.50700 1.000 H45 H -2.39200 4.89100 0.75400 1.000 H46 H -1.17900 3.46500 2.35400 1.000 H47 H -0.46700 1.20300 1.69300 1.000