# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JI2' 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 -3.77300 -0.00800 -0.31900 1.000 N1 N -4.60600 -1.05400 -0.69900 1.000 C2 C -4.32800 1.18800 0.12400 1.000 C3 C -3.48800 2.22100 0.50000 1.000 C4 C -2.11600 2.02200 0.41900 1.000 C5 C -1.63400 0.80900 -0.03000 1.000 N6 N -2.46000 -0.16100 -0.37700 1.000 N7 N 0.67400 -2.96800 0.19200 1.000 C8 C 1.95400 -2.25100 -0.03800 1.000 C9 C 1.75900 -0.87900 0.64200 1.000 C10 C 0.23200 -0.66300 0.67800 1.000 C11 C -0.36700 -1.92300 0.01600 1.000 C12 C -0.14600 0.58700 -0.12000 1.000 N13 N 2.40600 0.17800 -0.14700 1.000 C14 C 3.82200 0.31500 0.21700 1.000 C15 C 4.46000 1.42300 -0.62400 1.000 N16 N 5.87700 1.56000 -0.25900 1.000 H17 H -4.22300 -1.89200 -1.00500 1.000 H18 H -5.56900 -0.94700 -0.65800 1.000 H19 H -5.40000 1.30900 0.17400 1.000 H20 H -3.89000 3.16100 0.84700 1.000 H21 H -1.43300 2.80800 0.70400 1.000 H22 H 0.64000 -3.35900 1.12200 1.000 H23 H 2.78000 -2.79100 0.42500 1.000 H24 H 2.13400 -2.12600 -1.10600 1.000 H25 H 2.16400 -0.89700 1.65400 1.000 H26 H -0.11500 -0.57400 1.70700 1.000 H27 H -0.55200 -1.74400 -1.04300 1.000 H28 H -1.28800 -2.21500 0.52000 1.000 H29 H 0.13800 0.45200 -1.16300 1.000 H30 H 0.37500 1.45200 0.29100 1.000 H31 H 2.30200 0.00600 -1.13600 1.000 H32 H 3.90200 0.56900 1.27400 1.000 H33 H 4.33800 -0.62700 0.03000 1.000 H34 H 4.38000 1.16800 -1.68000 1.000 H35 H 3.94400 2.36400 -0.43600 1.000 H36 H 6.32100 2.28600 -0.80100 1.000 H37 H 5.98100 1.73200 0.73000 1.000