# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95E' 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 -3.37100 1.25600 -0.91300 1.000 O1 O 3.74100 1.99900 -0.25000 1.000 C2 C 3.37100 1.25600 0.91300 1.000 C3 C 3.03000 -0.18100 0.51300 1.000 C4 C 4.20700 -0.79100 -0.25100 1.000 C5 C 3.91800 -2.26500 -0.54200 1.000 N6 N 1.83700 -0.18100 -0.34400 1.000 C7 C 0.60900 -0.18100 0.46300 1.000 C8 C -0.60900 -0.18100 -0.46300 1.000 N9 N -1.83700 -0.18100 0.34400 1.000 C10 C -3.03000 -0.18100 -0.51300 1.000 O11 O -3.74100 1.99900 0.25000 1.000 C12 C -4.20700 -0.79100 0.25100 1.000 C13 C -3.91800 -2.26500 0.54200 1.000 H14 H -2.50100 1.71900 -1.37900 1.000 H15 H -4.20100 1.24900 -1.61900 1.000 H16 H 3.97100 2.92100 -0.07100 1.000 H17 H 4.20100 1.24900 1.61900 1.000 H18 H 2.50100 1.71900 1.37900 1.000 H19 H 2.83400 -0.77100 1.40900 1.000 H20 H 4.34700 -0.25600 -1.19000 1.000 H21 H 5.11200 -0.71000 0.35100 1.000 H22 H 3.77800 -2.80000 0.39800 1.000 H23 H 3.01300 -2.34500 -1.14400 1.000 H24 H 4.75600 -2.69900 -1.08600 1.000 H25 H 1.85000 0.60000 -0.98200 1.000 H26 H 0.58800 -1.07100 1.09200 1.000 H27 H 0.58800 0.70900 1.09200 1.000 H28 H -0.58800 0.70900 -1.09200 1.000 H29 H -0.58800 -1.07100 -1.09200 1.000 H30 H -1.85000 0.60000 0.98200 1.000 H31 H -2.83400 -0.77100 -1.40900 1.000 H32 H -3.97100 2.92100 0.07100 1.000 H33 H -4.34700 -0.25600 1.19000 1.000 H34 H -5.11200 -0.71000 -0.35100 1.000 H35 H -3.77800 -2.80000 -0.39800 1.000 H36 H -3.01300 -2.34500 1.14400 1.000 H37 H -4.75600 -2.69900 1.08600 1.000