# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZP' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 6.32000 2.64500 0.44200 1.000 O1 O 5.23200 -0.09800 0.27600 1.000 Cl2 Cl 6.49600 -2.72300 -0.22500 1.000 O3 O 2.66200 -0.23400 0.68800 1.000 C4 C 2.95600 -0.07900 -0.47800 1.000 C5 C 4.40500 0.01900 -0.88300 1.000 C6 C 9.31300 0.10800 -0.30500 1.000 C7 C 8.59200 1.26200 -0.06000 1.000 C8 C 7.22500 1.19600 0.13400 1.000 C9 C 6.57600 -0.03000 0.08400 1.000 C10 C 7.30300 -1.18700 -0.16200 1.000 C11 C 8.67000 -1.11500 -0.35600 1.000 C12 C -1.67400 -0.80000 -1.76800 1.000 N13 N 1.98800 0.00500 -1.41300 1.000 O14 O -2.56200 -0.11600 -2.23300 1.000 C15 C -0.24900 -0.58400 -2.20600 1.000 C16 C 0.81100 1.72100 0.65900 1.000 C17 C 0.07800 1.28800 -0.58500 1.000 C18 C 2.15600 2.51600 2.94000 1.000 C19 C 0.58000 -0.09000 -1.01900 1.000 O20 O -0.21300 0.39000 -3.25100 1.000 C21 C 1.98700 2.43900 0.55300 1.000 C22 C 0.30400 1.40600 1.90500 1.000 C23 C 2.66000 2.83700 1.69300 1.000 C24 C 0.97900 1.79900 3.04600 1.000 C25 C -3.85700 -0.75000 0.24000 1.000 N26 N -1.96400 -1.75200 -0.85900 1.000 O27 O -3.09400 0.11900 0.60400 1.000 C28 C -3.32100 -2.00500 -0.39900 1.000 C29 C -3.41100 -3.16100 0.62300 1.000 C30 C -0.92700 -2.61400 -0.25900 1.000 C31 C -3.37600 -2.63000 2.05700 1.000 C32 C -4.66100 -4.01000 0.38400 1.000 S33 S -1.88200 -4.11000 0.23000 1.000 N34 N -5.18600 -0.59400 0.40700 1.000 O35 O -7.28700 -1.01100 1.93200 1.000 C36 C -5.70700 0.62600 1.02900 1.000 C37 C -5.90100 1.70600 -0.01400 1.000 C38 C -4.98000 2.54100 -0.62300 1.000 C39 C -5.39400 3.46500 -1.56300 1.000 C40 C -7.11300 0.37100 1.61200 1.000 C41 C -7.23900 1.79700 -0.34900 1.000 C42 C -7.65200 2.72400 -1.29100 1.000 C43 C -6.73200 3.55700 -1.89700 1.000 C44 C -8.03600 0.78500 0.44600 1.000 H45 H 4.58400 0.98100 -1.36200 1.000 H46 H 4.64200 -0.78400 -1.58100 1.000 H47 H 10.38000 0.16200 -0.46100 1.000 H48 H 9.09700 2.21600 -0.02100 1.000 H49 H 9.23600 -2.01500 -0.54700 1.000 H50 H 2.22400 0.12900 -2.34500 1.000 H51 H 0.16500 -1.52400 -2.57200 1.000 H52 H 0.25900 2.00900 -1.38300 1.000 H53 H -0.99100 1.23700 -0.37700 1.000 H54 H 2.68100 2.82600 3.83100 1.000 H55 H 0.48100 -0.79100 -0.19000 1.000 H56 H -0.56700 1.25300 -2.99600 1.000 H57 H 2.38200 2.69000 -0.42100 1.000 H58 H -0.61800 0.84900 1.98800 1.000 H59 H 3.57900 3.39700 1.61000 1.000 H60 H 0.58500 1.54900 4.02000 1.000 H61 H -3.94300 -2.24900 -1.26000 1.000 H62 H -0.48400 -2.13500 0.61400 1.000 H63 H -0.16200 -2.86700 -0.99300 1.000 H64 H -2.50100 -1.99300 2.18800 1.000 H65 H -4.27900 -2.05200 2.25300 1.000 H66 H -3.32200 -3.46700 2.75300 1.000 H67 H -4.64000 -4.88100 1.03800 1.000 H68 H -5.55000 -3.41600 0.59800 1.000 H69 H -4.68500 -4.33700 -0.65600 1.000 H70 H -5.79600 -1.28900 0.11600 1.000 H71 H -8.15500 -1.22300 2.30200 1.000 H72 H -5.02900 0.97200 1.80900 1.000 H73 H -3.93400 2.47100 -0.36200 1.000 H74 H -4.67300 4.11600 -2.03500 1.000 H75 H -7.28800 0.99500 2.48900 1.000 H76 H -8.69800 2.79600 -1.55300 1.000 H77 H -7.05700 4.27900 -2.63200 1.000 H78 H -8.27400 -0.08000 -0.17300 1.000 H79 H -8.94900 1.24000 0.83000 1.000