# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C0Z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.47000 0.94600 -0.13100 1.000 C1 C -0.13700 2.10400 -0.27000 1.000 N2 N 1.13000 2.52900 -0.41900 1.000 C3 C 2.24800 1.68800 -0.42500 1.000 C4 C 2.10300 0.33400 -0.16000 1.000 C5 C 3.50700 2.20600 -0.70200 1.000 C6 C 4.60700 1.37200 -0.70700 1.000 C7 C 4.46200 0.02200 -0.43700 1.000 C8 C 3.20900 -0.49800 -0.16600 1.000 C9 C 3.31600 -1.98600 0.08900 1.000 C10 C 4.81200 -2.24000 0.37500 1.000 C11 C 5.49600 -1.08300 -0.38300 1.000 N12 N 6.69000 -0.62800 0.34100 1.000 C13 C 6.36300 -0.28200 1.73000 1.000 C14 C 7.75500 -1.63900 0.28700 1.000 C15 C -1.08800 3.28000 -0.30900 1.000 C16 C -0.17900 4.51000 -0.08000 1.000 C17 C 1.18800 3.98700 -0.57500 1.000 N18 N -2.08200 3.17000 0.76100 1.000 S19 S -3.57300 2.52200 0.44400 1.000 O20 O -4.28200 2.52400 1.67500 1.000 O21 O -4.05000 3.16800 -0.72900 1.000 C22 C -3.32500 0.83100 0.01500 1.000 C23 C -3.34100 -0.11800 0.99100 1.000 C24 C -3.14400 -1.46700 0.65200 1.000 C25 C -2.93200 -1.81900 -0.70400 1.000 C26 C -2.92200 -0.81200 -1.68400 1.000 C27 C -3.12200 0.48400 -1.31900 1.000 C28 C -3.15300 -2.47400 1.63300 1.000 C29 C -2.95900 -3.77100 1.26800 1.000 C30 C -2.75000 -4.11800 -0.06700 1.000 Cl31 Cl -2.50500 -5.78400 -0.48900 1.000 C32 C -2.73500 -3.16900 -1.04300 1.000 H33 H -1.57700 3.34300 -1.28100 1.000 H34 H 1.99400 4.39900 0.03200 1.000 H35 H 1.33300 4.24900 -1.62300 1.000 H36 H 1.12500 -0.07200 0.05200 1.000 H37 H 3.62400 3.25900 -0.91400 1.000 H38 H 5.58500 1.77600 -0.92300 1.000 H39 H 5.76200 -1.40100 -1.39100 1.000 H40 H 2.71300 -2.26700 0.95200 1.000 H41 H 3.00000 -2.54400 -0.79200 1.000 H42 H 5.01700 -2.17800 1.44400 1.000 H43 H 5.12400 -3.20400 -0.02500 1.000 H44 H 6.07300 -1.18300 2.27100 1.000 H45 H 7.23500 0.16400 2.20800 1.000 H46 H 5.53800 0.43100 1.74200 1.000 H47 H 7.95100 -1.90500 -0.75200 1.000 H48 H 8.66200 -1.23500 0.73600 1.000 H49 H 7.44100 -2.52700 0.83600 1.000 H50 H -0.51200 5.35700 -0.67900 1.000 H51 H -0.13900 4.77400 0.97700 1.000 H52 H -1.86800 3.47800 1.65600 1.000 H53 H -3.50300 0.16600 2.02000 1.000 H54 H -3.11800 1.25600 -2.07500 1.000 H55 H -3.31300 -2.22000 2.67000 1.000 H56 H -2.76200 -1.06600 -2.72100 1.000 H57 H -2.57200 -3.45200 -2.07300 1.000 H58 H -2.96700 -4.54300 2.02400 1.000