# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9X3' 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 -2.48600 -0.44300 -0.25400 1.000 C1 C -2.60700 -1.55200 0.56200 1.000 N2 N -3.65800 1.52600 0.55600 1.000 C3 C -1.28400 -0.17500 -0.88200 1.000 C4 C 3.90900 1.56100 -0.31700 1.000 C5 C -1.52600 -2.39200 0.75200 1.000 C6 C 3.11100 0.63100 -1.23500 1.000 N7 N 1.93200 0.13000 -0.51200 1.000 C8 C -0.20300 -1.01500 -0.69300 1.000 C9 C 3.14000 0.35500 1.60400 1.000 C10 C -4.79700 2.43700 0.38100 1.000 O11 O 4.26400 0.85600 0.87500 1.000 C12 C -0.32400 -2.12400 0.12300 1.000 C13 C 2.33500 -0.58700 0.70600 1.000 C14 C 1.10700 -0.72300 -1.37700 1.000 C15 C -3.66700 0.47000 -0.46500 1.000 H16 H -3.54600 -1.76100 1.05300 1.000 H17 H -1.19000 0.69200 -1.52000 1.000 H18 H -3.60400 0.92100 -1.45600 1.000 H19 H -4.58900 -0.10500 -0.38500 1.000 H20 H -1.62100 -3.25800 1.39000 1.000 H21 H -2.78500 2.03200 0.54500 1.000 H22 H -4.74200 2.90200 -0.60400 1.000 H23 H -5.72700 1.87600 0.46700 1.000 H24 H -4.76600 3.20900 1.15000 1.000 H25 H 4.81300 1.88900 -0.83000 1.000 H26 H 3.30000 2.42800 -0.06000 1.000 H27 H 2.78900 1.18000 -2.12000 1.000 H28 H 3.73700 -0.20900 -1.53600 1.000 H29 H 0.52100 -2.78000 0.27200 1.000 H30 H 1.44600 -0.92600 1.23900 1.000 H31 H 2.94800 -1.44600 0.43700 1.000 H32 H 0.91800 -0.21000 -2.32000 1.000 H33 H 1.63200 -1.65900 -1.57200 1.000 H34 H 3.48900 -0.18800 2.48200 1.000 H35 H 2.51000 1.18700 1.91800 1.000