# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JKJ' 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 -2.31400 2.91000 -0.38400 1.000 O1 O -1.56700 1.86100 0.23500 1.000 C2 C -0.19300 1.81700 -0.15600 1.000 C3 C 0.50600 0.66200 0.56400 1.000 N4 N -0.01600 -0.62900 0.07300 1.000 C5 C 0.97400 -1.52500 -0.55900 1.000 C6 C 2.07300 -1.81600 0.47000 1.000 C7 C 2.68100 -0.50000 0.95600 1.000 C8 C 2.01000 0.68000 0.24900 1.000 O9 O 2.57900 1.91300 0.69300 1.000 C10 C 2.20400 0.53700 -1.26300 1.000 C11 C 1.59700 -0.78000 -1.74600 1.000 S12 S -1.61200 -1.04600 0.22100 1.000 O13 O -1.60200 -2.46700 0.23600 1.000 O14 O -2.06400 -0.30500 1.34600 1.000 C15 C -2.38400 -0.43000 -1.30000 1.000 H16 H -1.87500 3.87200 -0.12300 1.000 H17 H -2.29200 2.78200 -1.46600 1.000 H18 H -3.34600 2.87500 -0.03500 1.000 H19 H -0.12700 1.66700 -1.23400 1.000 H20 H 0.29000 2.75700 0.11000 1.000 H21 H 0.34900 0.74500 1.63900 1.000 H22 H 0.49900 -2.45100 -0.88400 1.000 H23 H 1.64500 -2.35300 1.31600 1.000 H24 H 2.84900 -2.42600 0.00900 1.000 H25 H 2.53300 -0.40800 2.03200 1.000 H26 H 3.74900 -0.49100 0.73600 1.000 H27 H 3.52900 1.99000 0.52500 1.000 H28 H 1.71600 1.36900 -1.77000 1.000 H29 H 3.27000 0.54800 -1.49200 1.000 H30 H 2.37600 -1.39700 -2.19300 1.000 H31 H 0.82700 -0.57400 -2.48900 1.000 H32 H -1.91800 -0.90600 -2.16200 1.000 H33 H -3.44900 -0.66400 -1.28700 1.000 H34 H -2.25000 0.65000 -1.36400 1.000