# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9AQ' 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 7.22000 -0.11200 0.00100 1.000 C1 C 5.74500 -0.52000 0.00200 1.000 O2 O 4.92700 0.65200 0.00100 1.000 C3 C 3.58200 0.46400 0.00100 1.000 C4 C 2.72900 1.56200 0.00100 1.000 C5 C 1.36500 1.37600 0.00100 1.000 C6 C 3.06200 -0.82400 -0.00400 1.000 C7 C 1.69800 -1.01900 -0.00500 1.000 C8 C 0.83800 0.08200 0.00100 1.000 C9 C -0.62400 -0.12200 0.00100 1.000 N10 N -1.40100 0.93200 0.00100 1.000 C11 C -2.74500 0.82000 0.00000 1.000 C12 C -3.57200 1.94700 0.00000 1.000 C13 C -4.92900 1.79300 0.00000 1.000 C14 C -5.50600 0.53000 0.00000 1.000 C15 C -4.71700 -0.60000 0.00000 1.000 C16 C -3.33000 -0.46700 0.00000 1.000 C17 C -2.43800 -1.63500 0.00100 1.000 O18 O -2.88200 -2.76900 0.00100 1.000 N19 N -1.10500 -1.40300 -0.00400 1.000 H20 H 7.43300 0.48000 -0.88900 1.000 H21 H 7.43300 0.48100 0.89100 1.000 H22 H 7.84400 -1.00500 0.00200 1.000 H23 H 5.53200 -1.11200 -0.88800 1.000 H24 H 5.53200 -1.11100 0.89200 1.000 H25 H 3.13700 2.56200 0.00100 1.000 H26 H 0.70200 2.22900 0.00100 1.000 H27 H 3.72800 -1.67400 -0.00800 1.000 H28 H 1.29500 -2.02000 -0.00900 1.000 H29 H -3.13900 2.93700 0.00100 1.000 H30 H -5.56400 2.66800 0.00100 1.000 H31 H -6.58100 0.43200 0.00100 1.000 H32 H -5.17000 -1.58100 0.00100 1.000 H33 H -0.48500 -2.15000 -0.00400 1.000