# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2WZ' 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 1.26500 -1.33700 1.60700 1.000 C1 C 2.34900 0.00600 1.79000 1.000 C2 C 2.80400 0.37000 3.04300 1.000 N3 N 3.62900 1.38900 3.19500 1.000 C4 C 4.05300 2.09900 2.16100 1.000 N5 N 4.92400 3.16600 2.36800 1.000 C6 C 3.63600 1.78900 0.86900 1.000 F7 F 4.07100 2.51600 -0.18400 1.000 C8 C 2.77400 0.72200 0.67800 1.000 C9 C 2.30400 0.35000 -0.70400 1.000 N10 N 2.38500 -1.10400 -0.87200 1.000 S11 S 3.72200 -1.78300 -1.57400 1.000 O12 O 3.44000 -3.17500 -1.59100 1.000 O13 O 3.89200 -1.05500 -2.78200 1.000 C14 C 5.07200 -1.42200 -0.41800 1.000 C15 C 6.47000 -1.92600 -0.78400 1.000 C16 C 5.68500 -2.59900 0.34300 1.000 C17 C 0.87700 0.79800 -0.88700 1.000 C18 C 0.51800 1.89400 -1.52500 1.000 S19 S -0.51800 -0.07600 -0.28500 1.000 C20 C -1.63200 1.12100 -0.93300 1.000 C21 C -0.91600 2.12900 -1.58000 1.000 C22 C -1.62400 3.19700 -2.17500 1.000 C23 C -2.99400 3.24300 -2.11900 1.000 C24 C -3.70800 2.24400 -1.47700 1.000 C25 C -3.03900 1.18200 -0.88700 1.000 C26 C -3.80500 0.11400 -0.20100 1.000 C27 C -5.19600 0.18300 -0.15300 1.000 N28 N -3.16000 -0.90300 0.35800 1.000 C29 C -3.80400 -1.87200 0.97600 1.000 C30 C -5.18400 -1.86400 1.06500 1.000 C31 C -5.89700 -0.82200 0.49000 1.000 C32 C -7.40200 -0.78300 0.56900 1.000 C33 C -7.94700 -2.21100 0.61900 1.000 C34 C -7.82700 -0.03100 1.83200 1.000 O35 O -7.92200 -0.11400 -0.58200 1.000 H36 H 2.47900 -0.18600 3.91000 1.000 H37 H 5.21700 3.38500 3.26600 1.000 H38 H 5.23700 3.68900 1.61400 1.000 H39 H 2.93600 0.83700 -1.44700 1.000 H40 H 1.65500 -1.66800 -0.57300 1.000 H41 H 5.00200 -0.46700 0.10400 1.000 H42 H 6.57800 -2.47400 -1.71900 1.000 H43 H 7.31900 -1.30300 -0.50400 1.000 H44 H 6.01700 -2.41900 1.36600 1.000 H45 H 5.27600 -3.59100 0.14900 1.000 H46 H 1.23500 2.56700 -1.97300 1.000 H47 H -1.08200 3.98300 -2.67900 1.000 H48 H -3.52100 4.06600 -2.58000 1.000 H49 H -4.78600 2.29100 -1.43900 1.000 H50 H -5.72000 1.00900 -0.61200 1.000 H51 H -3.24600 -2.68300 1.41900 1.000 H52 H -5.70100 -2.66400 1.57400 1.000 H53 H -7.64400 -2.74700 -0.28100 1.000 H54 H -7.55000 -2.72200 1.49600 1.000 H55 H -9.03500 -2.18300 0.67500 1.000 H56 H -8.91500 -0.00200 1.88900 1.000 H57 H -7.43000 -0.54100 2.71000 1.000 H58 H -7.43800 0.98700 1.79700 1.000 H59 H -7.61700 0.79900 -0.67700 1.000