# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXV' 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 -3.01800 -2.37700 1.84500 1.000 C1 C 1.42800 3.37400 -0.98400 1.000 O2 O 0.70400 4.05200 -0.29500 1.000 C3 C 1.14800 1.90200 -1.14900 1.000 N4 N -0.04200 1.54100 -0.37500 1.000 C5 C 2.34700 1.09600 -0.64600 1.000 S6 S 2.56000 1.28700 1.17300 1.000 C7 C 3.36800 -0.34600 1.40800 1.000 C8 C 2.99300 -1.12000 0.13000 1.000 N9 N 2.09100 -0.36800 -0.74700 1.000 C10 C 4.25300 -1.43900 -0.63300 1.000 C11 C -1.26800 1.70300 -0.91100 1.000 O12 O -1.38700 2.14800 -2.03700 1.000 C13 C -2.46500 1.34000 -0.13300 1.000 C14 C -3.26400 2.14900 0.63500 1.000 O15 O -4.22200 1.36800 1.14100 1.000 N16 N -4.12800 0.21400 0.80100 1.000 C17 C -3.10600 0.01500 0.00800 1.000 C18 C -3.09500 3.62900 0.86200 1.000 C19 C -2.68000 -1.26300 -0.61100 1.000 C20 C -2.60900 -2.42400 0.15800 1.000 C21 C -2.21100 -3.61200 -0.42500 1.000 C22 C -1.88500 -3.65000 -1.76800 1.000 C23 C -1.95400 -2.50100 -2.53600 1.000 C24 C -2.35500 -1.31000 -1.96600 1.000 C25 C 2.81000 -1.04900 2.64700 1.000 C26 C 4.88500 -0.18500 1.51900 1.000 O27 O 5.01900 -2.47600 -0.25900 1.000 O28 O 4.57400 -0.76100 -1.58000 1.000 H29 H 2.27300 3.82300 -1.48500 1.000 H30 H 0.97800 1.68100 -2.20300 1.000 H31 H 0.05200 1.18600 0.52200 1.000 H32 H 3.25700 1.37400 -1.17900 1.000 H33 H 2.50900 -2.05400 0.41400 1.000 H34 H 1.12600 -0.58100 -0.54200 1.000 H35 H -3.64500 4.17900 0.09800 1.000 H36 H -3.48000 3.89100 1.84700 1.000 H37 H -2.03700 3.88600 0.80500 1.000 H38 H -2.15500 -4.51200 0.16900 1.000 H39 H -1.57500 -4.58100 -2.22000 1.000 H40 H -1.69700 -2.53700 -3.58400 1.000 H41 H -2.41300 -0.41500 -2.56800 1.000 H42 H 1.73400 -1.17700 2.53900 1.000 H43 H 3.28300 -2.02600 2.75400 1.000 H44 H 3.01700 -0.44600 3.53100 1.000 H45 H 5.12300 0.43100 2.38600 1.000 H46 H 5.34700 -1.16600 1.63200 1.000 H47 H 5.26700 0.29500 0.61700 1.000 H48 H 5.81800 -2.64100 -0.77900 1.000