# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJ4' 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 1.41700 -0.56500 -0.43200 1.000 C1 C 4.92000 1.09500 -0.44500 1.000 C2 C 5.75400 -0.73600 0.93500 1.000 C3 C -6.19500 0.35900 0.31500 1.000 C4 C -4.69600 0.27700 0.19000 1.000 C5 C -3.83900 1.28700 0.35200 1.000 N6 N -2.57000 0.96200 0.19000 1.000 C7 C -2.31400 -0.27500 -0.10200 1.000 S8 S -3.76700 -1.17200 -0.18900 1.000 N9 N -1.04200 -0.79700 -0.30800 1.000 C10 C 0.03900 0.00100 -0.20800 1.000 O11 O -0.09800 1.17600 0.06200 1.000 C12 C 2.45800 0.54400 -0.26100 1.000 C13 C 3.85800 -0.03100 -0.48800 1.000 C14 C 6.21700 0.33300 -0.07700 1.000 C15 C 4.25100 -0.96800 0.67200 1.000 H16 H 1.60700 -1.35600 0.29300 1.000 H17 H 1.48300 -0.97300 -1.44100 1.000 H18 H 5.01600 1.57300 -1.41900 1.000 H19 H 4.67300 1.83000 0.32200 1.000 H20 H 6.30800 -1.66200 0.77900 1.000 H21 H 5.90500 -0.37700 1.95300 1.000 H22 H -6.62800 0.60000 -0.65500 1.000 H23 H -6.58400 -0.60000 0.65900 1.000 H24 H -6.45800 1.13600 1.03400 1.000 H25 H -4.15800 2.28900 0.59600 1.000 H26 H -0.93300 -1.73700 -0.52400 1.000 H27 H 2.26800 1.33500 -0.98600 1.000 H28 H 2.39200 0.95100 0.74800 1.000 H29 H 3.90200 -0.56100 -1.44000 1.000 H30 H 6.64500 -0.13900 -0.96100 1.000 H31 H 6.93900 1.00700 0.38400 1.000 H32 H 4.07800 -2.00600 0.39000 1.000 H33 H 3.67400 -0.72200 1.56400 1.000