# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JEV' 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 -2.12800 -0.20100 -0.48200 1.000 C1 C -4.43300 0.31700 0.11500 1.000 C2 C -5.46200 0.85300 1.07800 1.000 O3 O -4.77900 -0.11500 -0.96400 1.000 C4 C -6.85400 0.73600 0.45400 1.000 O5 O 4.39900 1.76800 0.40000 1.000 C6 C 0.12000 -2.14700 -1.02900 1.000 C7 C 1.06900 -2.73700 0.03600 1.000 C8 C 2.13600 -1.68400 0.24300 1.000 C9 C 3.39100 -1.77600 0.82100 1.000 C10 C 4.20500 -0.66700 0.90800 1.000 C11 C 3.77300 0.55900 0.40900 1.000 C12 C 3.77500 2.61800 -0.57700 1.000 C13 C 2.32800 2.07300 -0.63000 1.000 C14 C 2.51700 0.63900 -0.17500 1.000 C15 C 1.69900 -0.47000 -0.25800 1.000 C16 C 0.30800 -0.62700 -0.83500 1.000 C17 C -0.73700 -0.08400 0.14200 1.000 N18 N -3.12900 0.31900 0.45400 1.000 H19 H -2.16200 0.37500 -1.40700 1.000 H20 H -2.34300 -1.24700 -0.69800 1.000 H21 H -5.42900 0.27700 2.00300 1.000 H22 H -5.24800 1.90000 1.29400 1.000 H23 H -6.88700 1.31200 -0.47100 1.000 H24 H -7.06800 -0.31100 0.23800 1.000 H25 H -7.59800 1.12300 1.15000 1.000 H26 H 0.42500 -2.45000 -2.03000 1.000 H27 H -0.91200 -2.43800 -0.83200 1.000 H28 H 0.52900 -2.91600 0.96500 1.000 H29 H 1.51600 -3.66200 -0.32800 1.000 H30 H 3.73300 -2.72400 1.20900 1.000 H31 H 5.18100 -0.75000 1.36300 1.000 H32 H 3.78400 3.65700 -0.24800 1.000 H33 H 4.26400 2.51700 -1.54600 1.000 H34 H 1.68100 2.61800 0.05700 1.000 H35 H 1.93400 2.11200 -1.64600 1.000 H36 H 0.23500 -0.11200 -1.79200 1.000 H37 H -0.52200 0.96300 0.35800 1.000 H38 H -0.70300 -0.66000 1.06700 1.000 H39 H -2.85200 0.66600 1.31700 1.000