# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JI1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.89200 0.00200 -0.40600 1.000 C1 C -4.17800 0.30900 -0.34400 1.000 N2 N -5.12800 -0.61600 -0.76200 1.000 C3 C -4.58800 1.54900 0.13600 1.000 C4 C -3.63200 2.45900 0.54900 1.000 C5 C -2.29300 2.09800 0.46700 1.000 C6 C -1.95800 0.85000 -0.02000 1.000 N7 N -0.04400 -3.17500 0.07900 1.000 C8 C 1.30800 -2.57600 -0.05800 1.000 C9 C 1.21000 -1.22000 0.67300 1.000 C10 C -0.29000 -0.85900 0.64700 1.000 C11 C -0.97100 -2.02700 -0.09800 1.000 C12 C -0.50700 0.45300 -0.11000 1.000 N13 N 1.99300 -0.20000 -0.03600 1.000 C14 C 3.39500 -0.21500 0.40000 1.000 C15 C 4.17700 0.85900 -0.35900 1.000 C16 C 5.63800 0.84300 0.09500 1.000 O17 O 6.36900 1.84600 -0.61400 1.000 H18 H -4.84700 -1.48200 -1.09700 1.000 H19 H -6.07100 -0.39500 -0.71800 1.000 H20 H -5.63700 1.79700 0.18500 1.000 H21 H -3.92000 3.43000 0.92500 1.000 H22 H -1.52200 2.78600 0.78200 1.000 H23 H -0.16200 -3.59800 0.98700 1.000 H24 H 2.05500 -3.21100 0.41900 1.000 H25 H 1.55300 -2.42600 -1.11000 1.000 H26 H 1.55900 -1.31800 1.70100 1.000 H27 H -0.67800 -0.77800 1.66200 1.000 H28 H -1.08400 -1.78900 -1.15600 1.000 H29 H -1.94000 -2.24900 0.34800 1.000 H30 H -0.23200 0.31800 -1.15600 1.000 H31 H 0.11200 1.23400 0.33100 1.000 H32 H 1.92300 -0.32100 -1.03600 1.000 H33 H 3.44500 -0.01300 1.47000 1.000 H34 H 3.82900 -1.19400 0.19500 1.000 H35 H 4.12700 0.65600 -1.42900 1.000 H36 H 3.74400 1.83700 -0.15400 1.000 H37 H 5.68800 1.04500 1.16500 1.000 H38 H 6.07200 -0.13600 -0.11000 1.000 H39 H 7.30500 1.89300 -0.37600 1.000