# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JTY' 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 1.17100 0.10300 0.28000 1.000 C1 C 2.42700 0.37700 -0.21300 1.000 N2 N 2.82100 1.64300 -0.04200 1.000 C3 C 2.00500 2.44000 0.54700 1.000 C4 C 3.26000 -0.63100 -0.86800 1.000 O5 O -0.94100 -0.69800 2.17100 1.000 C6 C -2.07100 -0.27500 -0.08300 1.000 C7 C -2.28900 1.04200 0.27600 1.000 O8 O 4.48300 -0.29900 -1.33000 1.000 O9 O 2.84900 -1.77000 -0.99600 1.000 S10 S 0.52500 1.58800 0.97300 1.000 N11 N 0.52900 -1.11900 0.23400 1.000 S12 S -0.98900 -1.28100 0.87600 1.000 O13 O -1.38100 -2.62700 0.64400 1.000 C14 C -2.70700 -0.80400 -1.19000 1.000 C15 C -3.55600 -0.01400 -1.94300 1.000 C16 C -3.76900 1.30500 -1.58800 1.000 C17 C -3.14400 1.83000 -0.47200 1.000 H18 H 2.19700 3.48400 0.74800 1.000 H19 H -1.79300 1.45600 1.14200 1.000 H20 H 4.95800 -1.03100 -1.74700 1.000 H21 H 0.96700 -1.88200 -0.17400 1.000 H22 H -2.54000 -1.83400 -1.46800 1.000 H23 H -4.05200 -0.42700 -2.80900 1.000 H24 H -4.43200 1.92200 -2.17600 1.000 H25 H -3.31000 2.86100 -0.19500 1.000