# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J4Q' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.28500 1.41500 0.80500 1.000 N1 N 2.23600 1.18900 0.07800 1.000 C2 C -0.82400 2.56200 -0.32600 1.000 C3 C 0.37000 0.64300 -1.46400 1.000 C4 C 1.60100 0.30400 -0.66500 1.000 C5 C 2.14000 -0.91900 -0.65100 1.000 C6 C 3.28000 0.78100 0.71700 1.000 C7 C -2.77400 -1.56500 -1.28600 1.000 S8 S -1.76200 -1.19500 0.17400 1.000 O9 O -2.49700 -1.44200 1.36500 1.000 O10 O -0.44500 -1.70100 0.00800 1.000 C11 C -1.56400 0.55500 0.14000 1.000 C12 C -1.85200 2.65600 0.53800 1.000 N13 N -0.64100 1.22900 -0.57900 1.000 S14 S 3.55400 -0.87700 0.40000 1.000 H15 H -0.25300 3.38000 -0.74100 1.000 H16 H 0.62800 1.35800 -2.24400 1.000 H17 H -0.02900 -0.26400 -1.92000 1.000 H18 H 1.77400 -1.78100 -1.18900 1.000 H19 H 3.89200 1.39700 1.35800 1.000 H20 H -3.69500 -0.98300 -1.24700 1.000 H21 H -2.21900 -1.30500 -2.18800 1.000 H22 H -3.01600 -2.62700 -1.30100 1.000 H23 H -2.25800 3.57100 0.94400 1.000