# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JEJ' 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 6.41300 -0.75100 0.76600 1.000 C1 C 6.43300 -2.01800 0.21100 1.000 C2 C 5.37900 -2.45400 -0.57000 1.000 O3 O 2.02400 2.27800 -0.96000 1.000 O4 O 1.46900 -1.97700 0.27200 1.000 C5 C 1.68300 0.20100 -0.35800 1.000 C6 C -1.22500 -2.02300 0.32600 1.000 C7 C -2.53800 0.37400 -0.34700 1.000 C8 C -3.27600 -0.61000 -1.00700 1.000 C9 C -4.65500 -0.56200 -0.99100 1.000 C10 C -5.30600 0.46000 -0.32300 1.000 C11 C -4.58100 1.43900 0.33300 1.000 C12 C -3.20200 1.40200 0.32500 1.000 C13 C -6.81200 0.50700 -0.31000 1.000 C14 C -8.75700 -0.02400 1.03100 1.000 C15 C -7.01200 -1.67400 0.72300 1.000 C16 C 5.33500 0.08400 0.54700 1.000 C17 C 0.92000 -0.92900 -0.02100 1.000 C18 C 4.29900 -1.62700 -0.80100 1.000 C19 C 4.26600 -0.35300 -0.23600 1.000 C20 C 3.10500 0.53800 -0.47500 1.000 C21 C 1.04100 1.40600 -0.69600 1.000 C22 C -0.35800 1.44600 -0.68700 1.000 C23 C -1.06100 0.32500 -0.35400 1.000 N24 N 3.12900 1.79900 -0.83900 1.000 N25 N -0.42800 -0.84500 -0.02600 1.000 N26 N -7.31600 -0.24200 0.84900 1.000 Cl27 Cl 5.31000 1.67400 1.24400 1.000 H28 H 7.23900 -0.41600 1.37500 1.000 H29 H 7.27700 -2.66900 0.38900 1.000 H30 H 5.40100 -3.44400 -1.00100 1.000 H31 H -1.49900 -2.56000 -0.58200 1.000 H32 H -0.64200 -2.67700 0.97400 1.000 H33 H -2.12900 -1.70700 0.84800 1.000 H34 H -2.76900 -1.40800 -1.52900 1.000 H35 H -5.22700 -1.32200 -1.50200 1.000 H36 H -5.09600 2.23400 0.85200 1.000 H37 H -2.63800 2.16400 0.84100 1.000 H38 H -7.14300 1.54300 -0.24400 1.000 H39 H -7.19800 0.06000 -1.22700 1.000 H40 H -9.29000 -0.35800 0.14100 1.000 H41 H -9.10400 -0.59000 1.89600 1.000 H42 H -8.94600 1.03700 1.19200 1.000 H43 H -5.93200 -1.81200 0.66000 1.000 H44 H -7.39500 -2.20500 1.59400 1.000 H45 H -7.48200 -2.06700 -0.17800 1.000 H46 H 3.47600 -1.96900 -1.41100 1.000 H47 H -0.87800 2.35800 -0.94100 1.000