# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IXO' 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 -3.91300 -0.90600 1.15800 1.000 N1 N -4.09300 -0.04800 -0.02100 1.000 C2 C -3.88400 -0.84000 -1.24000 1.000 C3 C -5.45500 0.50300 -0.02200 1.000 C4 C -3.12000 1.05200 0.02100 1.000 C5 C -1.75500 0.50000 0.02200 1.000 C6 C -0.66700 0.05900 0.02300 1.000 C7 C 0.69800 -0.49300 0.02400 1.000 O8 O 1.64400 0.57700 0.06500 1.000 C9 C 2.95400 0.23800 0.07100 1.000 N10 N 3.41700 -0.95200 0.03900 1.000 O11 O 4.83000 -0.99800 0.06300 1.000 C12 C 5.31400 0.31300 -0.29400 1.000 C13 C 4.12000 1.20700 0.11200 1.000 H14 H -4.63500 -1.72200 1.12700 1.000 H15 H -2.90200 -1.31500 1.15900 1.000 H16 H -4.06800 -0.31800 2.06300 1.000 H17 H -4.60600 -1.65600 -1.27100 1.000 H18 H -4.01800 -0.20400 -2.11400 1.000 H19 H -2.87400 -1.24900 -1.23900 1.000 H20 H -5.60900 1.09100 0.88300 1.000 H21 H -5.58800 1.14000 -0.89600 1.000 H22 H -6.17700 -0.31300 -0.05200 1.000 H23 H -3.25300 1.68900 -0.85300 1.000 H24 H -3.27400 1.64000 0.92600 1.000 H25 H 0.83100 -1.13000 0.89900 1.000 H26 H 0.85300 -1.08100 -0.88000 1.000 H27 H 6.20800 0.56800 0.27600 1.000 H28 H 5.50200 0.38200 -1.36500 1.000 H29 H 3.97800 2.01400 -0.60700 1.000 H30 H 4.26000 1.60300 1.11800 1.000