# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JEN' 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 0.76700 1.17900 6.45800 1.000 O1 O -0.32600 0.29800 6.19600 1.000 C2 C -0.28400 0.00200 4.87100 1.000 N3 N 0.65800 0.52300 4.10700 1.000 N4 N 0.73900 0.26800 2.85100 1.000 C5 C -0.12100 -0.52500 2.23700 1.000 C6 C -1.15600 -1.11900 2.96100 1.000 C7 C -1.23900 -0.84600 4.31500 1.000 N8 N 0.00400 -0.76900 0.87100 1.000 C9 C 1.17400 -0.00900 0.41300 1.000 C10 C 1.30300 -0.13000 -1.10500 1.000 N11 N 0.12800 0.46600 -1.75000 1.000 C12 C -1.04100 -0.29200 -1.29200 1.000 C13 C -1.17100 -0.17100 0.22600 1.000 C14 C 0.25400 0.22200 -3.11900 1.000 C15 C -0.72200 0.67000 -3.99900 1.000 C16 C -0.59200 0.43100 -5.35300 1.000 C17 C 0.50400 -0.26100 -5.83200 1.000 C18 C 1.47600 -0.71300 -4.95800 1.000 C19 C 1.35500 -0.47300 -3.60400 1.000 C20 C -1.64800 0.92100 -6.30900 1.000 H21 H 0.65900 2.08100 5.85600 1.000 H22 H 0.77500 1.44500 7.51400 1.000 H23 H 1.70300 0.68100 6.20200 1.000 H24 H -1.87000 -1.77000 2.47900 1.000 H25 H -2.02000 -1.27900 4.92300 1.000 H26 H 1.05400 1.03900 0.68400 1.000 H27 H 2.07200 -0.40500 0.88700 1.000 H28 H 2.20200 0.38900 -1.43500 1.000 H29 H 1.37200 -1.18300 -1.38000 1.000 H30 H -1.93900 0.10300 -1.76600 1.000 H31 H -0.92100 -1.34100 -1.56300 1.000 H32 H -2.07000 -0.69200 0.55600 1.000 H33 H -1.24000 0.88100 0.50100 1.000 H34 H -1.57900 1.21000 -3.62600 1.000 H35 H 0.60200 -0.44900 -6.89100 1.000 H36 H 2.33200 -1.25300 -5.33600 1.000 H37 H 2.11500 -0.82500 -2.92200 1.000 H38 H -2.41400 0.15500 -6.42900 1.000 H39 H -2.10300 1.83000 -5.91400 1.000 H40 H -1.19300 1.13400 -7.27600 1.000