# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C9E' 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 2.40100 -0.41100 0.00300 1.000 C1 C -4.90700 -0.37500 0.00100 1.000 C2 C -3.68800 0.54900 -0.00000 1.000 C3 C 1.60800 1.74400 -0.00200 1.000 C4 C -0.03100 -0.33100 0.00200 1.000 C5 C 1.20800 0.34100 0.00200 1.000 C6 C 2.95400 1.76600 -0.00200 1.000 N7 N 2.34700 -1.73400 0.00100 1.000 N8 N 3.44100 0.48900 0.00100 1.000 C9 C 1.20400 -2.38700 -0.00200 1.000 C10 C -0.01200 -1.72800 -0.00400 1.000 C11 C -1.30400 0.41600 0.00100 1.000 O12 O -1.29600 1.63100 -0.00200 1.000 O13 O -2.47500 -0.25000 0.00100 1.000 H14 H -4.88600 -1.00500 -0.88800 1.000 H15 H -4.88700 -1.00200 0.89200 1.000 H16 H -5.81800 0.22500 -0.00000 1.000 H17 H -3.70800 1.17600 -0.89100 1.000 H18 H -3.70900 1.18000 0.88800 1.000 H19 H 0.95100 2.60000 -0.00400 1.000 H20 H 3.55900 2.66100 -0.00400 1.000 H21 H 4.38200 0.25200 0.00200 1.000 H22 H 1.21700 -3.46700 -0.00700 1.000 H23 H -0.93600 -2.28700 -0.00600 1.000