# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2JX' 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 -3.49000 0.15400 0.02600 1.000 N1 N -2.31800 0.43900 -0.57500 1.000 S2 S -4.98600 0.94300 -0.24300 1.000 C3 C -1.36400 -0.42200 -0.09100 1.000 N4 N -1.91400 -1.21000 0.77600 1.000 N5 N -3.27000 -0.87100 0.87500 1.000 C6 C 0.08600 -0.44400 -0.50100 1.000 C7 C 0.73500 -1.75500 -0.03700 1.000 O8 O 2.11200 -1.73800 -0.43000 1.000 C9 C 2.80500 -0.59400 -0.18000 1.000 C10 C 2.14100 0.59600 0.09100 1.000 O11 O 0.78100 0.64300 0.11900 1.000 C12 C 2.86700 1.75100 0.33900 1.000 C13 C 4.24900 1.71700 0.31900 1.000 C14 C 4.91000 0.53300 0.05200 1.000 C15 C 4.19200 -0.62100 -0.19700 1.000 H16 H -2.17300 1.13300 -1.23800 1.000 H17 H -3.92800 -1.29500 1.44800 1.000 H18 H 0.16300 -0.36000 -1.58500 1.000 H19 H 0.66400 -1.83700 1.04800 1.000 H20 H 0.23000 -2.60100 -0.50400 1.000 H21 H 2.35300 2.67700 0.54800 1.000 H22 H 4.81300 2.61800 0.51300 1.000 H23 H 5.99000 0.51000 0.03700 1.000 H24 H 4.71100 -1.54500 -0.40500 1.000