# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXU' 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 -5.55300 -1.29200 -1.18500 1.000 C1 C 1.90300 2.33100 1.39800 1.000 O2 O 1.36100 3.30400 0.93200 1.000 C3 C 1.30700 0.96300 1.18700 1.000 N4 N 0.07900 1.08200 0.39800 1.000 C5 C 2.30900 0.07900 0.44200 1.000 S6 S 2.84300 0.86700 -1.13500 1.000 C7 C 4.48300 0.03900 -1.17400 1.000 C8 C 4.68500 -0.43000 0.27900 1.000 N9 N 3.60500 0.00200 1.17300 1.000 C10 C 4.75800 -1.93500 0.29900 1.000 C11 C -1.09100 1.35500 1.00900 1.000 O12 O -1.12700 1.50400 2.21500 1.000 C13 C -2.32600 1.47500 0.21500 1.000 C14 C -2.86200 2.59400 -0.37000 1.000 O15 O -3.98400 2.20500 -0.98000 1.000 N16 N -4.21200 1.02600 -0.85600 1.000 C17 C -3.29100 0.41800 -0.15300 1.000 C18 C -2.29600 3.99000 -0.33100 1.000 C19 C -3.23000 -1.02100 0.20000 1.000 C20 C -4.23100 -1.89100 -0.23200 1.000 C21 C -4.16900 -3.23000 0.10000 1.000 C22 C -3.11700 -3.70800 0.86000 1.000 C23 C -2.12200 -2.85000 1.29100 1.000 C24 C -2.17000 -1.51100 0.96000 1.000 C25 C 5.57700 1.02900 -1.57800 1.000 C26 C 4.45900 -1.15800 -2.12800 1.000 O27 O 5.90100 -2.55600 -0.03200 1.000 O28 O 3.78800 -2.58300 0.61400 1.000 H29 H 2.81800 2.44000 1.96200 1.000 H30 H 1.07600 0.51400 2.15400 1.000 H31 H 0.10700 0.96300 -0.56400 1.000 H32 H 1.89700 -0.91400 0.26500 1.000 H33 H 5.62800 -0.03000 0.65000 1.000 H34 H 3.82700 0.88500 1.60800 1.000 H35 H -1.62600 4.13400 -1.17900 1.000 H36 H -3.10900 4.71400 -0.38400 1.000 H37 H -1.74200 4.13200 0.59700 1.000 H38 H -4.94300 -3.90500 -0.23300 1.000 H39 H -3.07200 -4.75600 1.11900 1.000 H40 H -1.30300 -3.22900 1.88500 1.000 H41 H -1.39200 -0.84200 1.29700 1.000 H42 H 5.59400 1.85900 -0.87200 1.000 H43 H 6.54300 0.52500 -1.57100 1.000 H44 H 5.37200 1.40800 -2.57900 1.000 H45 H 4.23600 -0.81400 -3.13800 1.000 H46 H 5.43100 -1.65000 -2.11800 1.000 H47 H 3.69200 -1.86300 -1.80700 1.000 H48 H 5.90000 -3.52200 -0.00500 1.000