# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JYJ' 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 -2.70400 -1.57800 -2.69000 1.000 C1 C -2.15600 -0.92400 -1.42000 1.000 C2 C -1.52400 -1.82400 -0.39000 1.000 C3 C 0.33300 -2.39700 1.09900 1.000 C4 C 1.75800 -2.63300 0.58500 1.000 C5 C 1.69100 -0.41200 -0.62600 1.000 C6 C 4.87800 1.14600 1.39700 1.000 C7 C -2.80300 1.49300 -1.50300 1.000 C8 C -4.37100 1.22400 0.75900 1.000 C9 C -3.68600 0.13100 0.25700 1.000 C10 C 3.54700 -0.98500 0.86300 1.000 C11 C 0.26500 -0.17600 -0.11200 1.000 C12 C 4.22000 0.26200 0.46300 1.000 C13 C 5.41100 2.21400 0.81500 1.000 C14 C 4.28400 0.70000 -0.82200 1.000 C15 C -2.90200 0.26600 -0.87300 1.000 C16 C -4.26700 2.45200 0.13100 1.000 C17 C -3.48400 2.58600 -1.00000 1.000 N18 N -0.35200 -1.47800 0.17800 1.000 C19 C -1.42100 -0.74600 -2.75100 1.000 O20 O 4.05000 -1.70400 1.70600 1.000 N21 N 2.37500 -1.33100 0.29500 1.000 O22 O -2.07000 -2.85900 -0.07200 1.000 S23 S 5.13200 2.17600 -0.91700 1.000 Cl24 Cl -5.35500 1.05400 2.17900 1.000 H25 H -2.60700 -2.66000 -2.78000 1.000 H26 H -3.60400 -1.14800 -3.13000 1.000 H27 H -0.20400 -3.34400 1.13700 1.000 H28 H 0.37200 -1.95500 2.09500 1.000 H29 H 2.34100 -3.15200 1.34600 1.000 H30 H 1.72500 -3.23300 -0.32500 1.000 H31 H 1.65200 -0.85400 -1.62200 1.000 H32 H 2.22700 0.53600 -0.66700 1.000 H33 H 4.92700 0.96000 2.45900 1.000 H34 H -2.19100 1.59900 -2.38700 1.000 H35 H -3.76600 -0.82800 0.74700 1.000 H36 H 0.29900 0.42400 0.79800 1.000 H37 H -0.31600 0.34600 -0.87200 1.000 H38 H 5.94200 2.99700 1.33500 1.000 H39 H 3.85600 0.18300 -1.66900 1.000 H40 H -4.80200 3.30500 0.52200 1.000 H41 H -3.40200 3.54500 -1.49000 1.000 H42 H -0.48000 -1.28100 -2.88100 1.000 H43 H -1.47700 0.23100 -3.23100 1.000