# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3Z' 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 0.21600 -0.40400 -0.63100 1.000 C1 C -1.89200 -1.76800 -0.44000 1.000 C2 C -2.53900 -0.55900 0.20000 1.000 C3 C -2.20200 -0.53500 1.69200 1.000 O4 O -4.83800 -1.28800 -0.06500 1.000 O5 O 5.74700 -0.21800 0.41500 1.000 C6 C -4.02100 -0.40400 0.03500 1.000 C7 C -4.28600 1.09800 0.01900 1.000 C8 C -2.89800 1.79400 0.07700 1.000 C9 C -1.96000 0.71500 -0.47700 1.000 C10 C -0.51300 0.80900 -0.03900 1.000 C11 C -0.38400 -1.71100 -0.13300 1.000 C12 C 0.16300 2.07100 -0.57700 1.000 C13 C 1.54500 2.18300 0.06600 1.000 C14 C 2.29600 0.88000 -0.02400 1.000 C15 C 1.68600 -0.31600 -0.33800 1.000 C16 C 3.66200 0.90700 0.22700 1.000 C17 C 4.41100 -0.25500 0.16900 1.000 C18 C 3.79300 -1.45800 -0.14200 1.000 C19 C 2.43800 -1.48300 -0.39400 1.000 H20 H 0.08600 -0.36400 -1.71200 1.000 H21 H -2.32000 -2.68000 -0.02400 1.000 H22 H -2.05000 -1.74600 -1.51900 1.000 H23 H -2.55700 0.39800 2.12900 1.000 H24 H -2.68600 -1.37600 2.18700 1.000 H25 H -1.12200 -0.60900 1.82200 1.000 H26 H 5.98000 -0.35000 1.34400 1.000 H27 H -4.80500 1.37600 -0.89800 1.000 H28 H -4.88200 1.38100 0.88700 1.000 H29 H -2.88400 2.68200 -0.55500 1.000 H30 H -2.63400 2.04600 1.10500 1.000 H31 H -2.04000 0.65100 -1.56300 1.000 H32 H -0.45500 0.77900 1.04900 1.000 H33 H 0.11500 -2.54600 -0.62400 1.000 H34 H -0.23400 -1.78800 0.94400 1.000 H35 H 0.26500 2.00000 -1.66000 1.000 H36 H -0.43400 2.94600 -0.32000 1.000 H37 H 2.11400 2.95900 -0.44500 1.000 H38 H 1.43000 2.45700 1.11500 1.000 H39 H 4.14300 1.84300 0.46900 1.000 H40 H 4.37000 -2.36900 -0.18600 1.000 H41 H 1.95600 -2.41800 -0.63600 1.000