# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZX' 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 3.46900 -0.75400 -0.19200 1.000 N1 N 2.42900 -1.45000 -0.60600 1.000 O2 O 2.50800 5.11900 0.92500 1.000 S3 S -0.34300 1.11600 -1.44500 1.000 C4 C 2.37000 1.25700 -0.46500 1.000 N5 N 3.45200 0.57300 -0.11800 1.000 O6 O -6.73000 1.04600 1.23700 1.000 S7 S -6.89200 -0.35100 1.03200 1.000 C8 C 1.28300 -0.83800 -0.98000 1.000 N9 N -3.15500 -1.10800 -1.11100 1.000 O10 O -7.79300 -0.84700 0.05200 1.000 C11 C 1.23600 0.55700 -0.91300 1.000 N12 N 2.35700 2.64000 -0.38600 1.000 C13 C -0.87900 -0.53000 -1.73500 1.000 N14 N -5.40400 -0.86300 0.51600 1.000 C15 C 0.08100 -1.39400 -1.44400 1.000 N16 N 6.91100 -1.41400 1.01500 1.000 C17 C -2.24500 -0.90900 -2.24700 1.000 N18 N 8.17000 -3.36200 1.36200 1.000 C19 C 4.69800 -1.47700 0.21100 1.000 C20 C -4.42300 -1.70500 -1.55200 1.000 C21 C -5.26900 -2.06300 -0.32500 1.000 C22 C -4.18400 -0.13100 0.88500 1.000 C23 C -3.38100 0.15100 -0.39000 1.000 C24 C 3.64500 3.15100 0.10700 1.000 C25 C 3.60700 4.68200 0.12200 1.000 C26 C 1.23800 4.64000 0.47400 1.000 C27 C 1.25200 3.10900 0.46300 1.000 C28 C 5.81600 -0.77600 0.65400 1.000 C29 C 6.99400 -2.73600 0.97100 1.000 C30 C 4.75100 -2.87500 0.15300 1.000 C31 C 5.91700 -3.50500 0.53900 1.000 C32 C -7.14000 -1.20200 2.61400 1.000 H33 H -0.05300 -2.46000 -1.55600 1.000 H34 H -2.17500 -1.83200 -2.82300 1.000 H35 H -2.62800 -0.11100 -2.88400 1.000 H36 H 8.92300 -2.83200 1.66500 1.000 H37 H 8.23700 -4.32900 1.33300 1.000 H38 H -4.96600 -0.99000 -2.17100 1.000 H39 H -4.22000 -2.60700 -2.12900 1.000 H40 H -4.77600 -2.85300 0.24200 1.000 H41 H -6.25500 -2.39900 -0.64500 1.000 H42 H -4.45200 0.81000 1.36400 1.000 H43 H -3.58600 -0.73500 1.56700 1.000 H44 H -2.42100 0.59500 -0.12400 1.000 H45 H -3.93800 0.84000 -1.02500 1.000 H46 H 3.82100 2.78200 1.11700 1.000 H47 H 4.44600 2.81300 -0.55000 1.000 H48 H 3.48400 5.05300 -0.89600 1.000 H49 H 4.53800 5.06400 0.54000 1.000 H50 H 0.45600 4.99200 1.14700 1.000 H51 H 1.04700 5.00900 -0.53300 1.000 H52 H 0.30600 2.73900 0.06500 1.000 H53 H 1.39000 2.73800 1.47800 1.000 H54 H 5.78600 0.30300 0.70300 1.000 H55 H 3.89900 -3.44700 -0.18600 1.000 H56 H 5.99300 -4.58200 0.50600 1.000 H57 H -8.10700 -0.92000 3.03100 1.000 H58 H -7.11400 -2.28000 2.45400 1.000 H59 H -6.34900 -0.91900 3.30800 1.000