# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C2K' 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 0.31000 5.14400 2.06800 1.000 C1 C 0.79800 3.96000 0.89600 1.000 C2 C 1.58000 2.88700 1.28000 1.000 C3 C 1.96100 1.93900 0.34900 1.000 C4 C 2.78000 0.74800 0.77700 1.000 C5 C 1.57900 2.07200 -0.97400 1.000 C6 C 0.79800 3.14400 -1.36100 1.000 C7 C 0.39900 4.08700 -0.42700 1.000 O8 O -0.39700 5.12200 -0.80700 1.000 C9 C -1.73900 4.78800 -1.17600 1.000 C10 C -2.08200 3.40700 -0.61300 1.000 C11 C -3.27800 2.82400 -1.36800 1.000 C12 C -3.57600 1.41900 -0.83800 1.000 O13 O -2.46500 0.56300 -1.11800 1.000 C14 C -2.46900 -0.65600 -0.52200 1.000 C15 C -3.65400 -1.36900 -0.41400 1.000 C16 C -3.66600 -2.60300 0.20300 1.000 C17 C -4.95700 -3.37200 0.31700 1.000 F18 F -6.02900 -2.47600 0.39100 1.000 F19 F -5.11200 -4.19200 -0.80600 1.000 F20 F -4.93000 -4.16200 1.47100 1.000 C21 C -2.49700 -3.13800 0.72000 1.000 C22 C -1.31000 -2.44800 0.61500 1.000 C23 C -1.28200 -1.20200 -0.01600 1.000 C24 C -0.00900 -0.46500 -0.14300 1.000 O25 O 0.05000 0.58000 -0.76100 1.000 N26 N 1.10600 -0.99500 0.45800 1.000 C27 C 2.37400 -0.46900 -0.05600 1.000 C28 C 3.44100 -1.52800 0.05100 1.000 O29 O 3.29600 -2.45900 0.81500 1.000 N30 N 4.55500 -1.44100 -0.70100 1.000 C31 C 5.59200 -2.47000 -0.59700 1.000 C32 C 5.77900 -3.05000 0.74300 1.000 N33 N 5.92300 -3.49700 1.77700 1.000 C34 C 6.83200 -2.31600 -1.48000 1.000 C35 C 5.79400 -3.39400 -1.80100 1.000 H36 H 1.89300 2.78900 2.30900 1.000 H37 H 3.83800 0.96000 0.62100 1.000 H38 H 2.60200 0.54400 1.83200 1.000 H39 H 1.89100 1.33900 -1.70300 1.000 H40 H 0.49800 3.24700 -2.39400 1.000 H41 H -2.42500 5.52900 -0.76700 1.000 H42 H -1.82500 4.77200 -2.26300 1.000 H43 H -1.22400 2.74600 -0.72800 1.000 H44 H -2.33100 3.49900 0.44400 1.000 H45 H -4.14900 3.46200 -1.21700 1.000 H46 H -3.04700 2.77100 -2.43100 1.000 H47 H -3.73900 1.46300 0.23800 1.000 H48 H -4.46900 1.02800 -1.32600 1.000 H49 H -4.56900 -0.95700 -0.81500 1.000 H50 H -2.51700 -4.10200 1.20700 1.000 H51 H -0.40200 -2.87000 1.02100 1.000 H52 H 1.05900 -1.66000 1.16100 1.000 H53 H 2.25200 -0.17400 -1.09800 1.000 H54 H 4.67100 -0.69600 -1.31200 1.000 H55 H 6.87700 -1.44800 -2.13700 1.000 H56 H 7.78700 -2.64300 -1.06800 1.000 H57 H 6.06500 -4.43000 -1.60000 1.000 H58 H 5.15500 -3.23400 -2.67000 1.000