# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -4.97600 -2.69600 0.77600 1.000 C1 C -4.64300 -1.39800 0.69400 1.000 O2 O -5.40000 -0.55300 1.11000 1.000 C3 C -3.32600 -0.99600 0.08300 1.000 C4 C -3.19500 0.52800 0.11200 1.000 C5 C -1.85700 0.93700 -0.50800 1.000 C6 C -1.78000 2.44000 -0.59200 1.000 O7 O -0.95600 3.03900 0.05600 1.000 O8 O -2.62800 3.11200 -1.38700 1.000 O9 O -0.77000 0.44200 0.31700 1.000 C10 C 0.38500 0.14400 -0.30800 1.000 O11 O 0.48100 0.29300 -1.51000 1.000 N12 N 1.43400 -0.32000 0.40000 1.000 C13 C 2.69100 -0.64400 -0.28000 1.000 C14 C 2.62000 -2.04900 -0.82300 1.000 O15 O 1.62300 -2.71100 -0.65800 1.000 O16 O 3.66600 -2.56400 -1.48900 1.000 C17 C 3.85000 -0.53900 0.71200 1.000 C18 C 3.97400 0.90600 1.20000 1.000 C19 C 5.03500 0.98500 2.29900 1.000 C20 C 4.38200 1.80600 0.03100 1.000 H21 H -5.83200 -2.90500 1.17600 1.000 H22 H -2.51000 -1.44200 0.65200 1.000 H23 H -3.28200 -1.34500 -0.94900 1.000 H24 H -4.01000 0.97400 -0.45700 1.000 H25 H -3.23800 0.87700 1.14400 1.000 H26 H -1.77600 0.51300 -1.50900 1.000 H27 H -2.54100 4.07400 -1.40700 1.000 H28 H 1.35700 -0.43900 1.35900 1.000 H29 H 2.85000 0.05500 -1.10100 1.000 H30 H 3.57400 -3.46900 -1.81800 1.000 H31 H 3.66100 -1.19400 1.56300 1.000 H32 H 4.77600 -0.83700 0.22200 1.000 H33 H 3.01500 1.24000 1.59700 1.000 H34 H 5.98300 0.60500 1.91700 1.000 H35 H 5.15900 2.02200 2.61200 1.000 H36 H 4.72000 0.38300 3.15200 1.000 H37 H 3.62600 1.75000 -0.75200 1.000 H38 H 4.47000 2.83500 0.37900 1.000 H39 H 5.34100 1.47200 -0.36500 1.000