# 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 -0.47000 -4.99000 2.01700 1.000 C1 C -0.87500 -3.74600 0.87600 1.000 C2 C -1.52900 -2.60300 1.30300 1.000 C3 C -1.84800 -1.61200 0.39500 1.000 C4 C -2.56600 -0.36500 0.84100 1.000 C5 C -1.51000 -1.76000 -0.93900 1.000 C6 C -0.85900 -2.89800 -1.37100 1.000 C7 C -0.53800 -3.89500 -0.46200 1.000 O8 O 0.10500 -5.01500 -0.89100 1.000 C9 C 1.48100 -4.84700 -1.24900 1.000 C10 C 1.75300 -3.36400 -1.52800 1.000 C11 C 3.20100 -3.03900 -1.15100 1.000 C12 C 3.25500 -1.76300 -0.30800 1.000 O13 O 2.48300 -0.73200 -0.92300 1.000 C14 C 2.59700 0.53000 -0.44000 1.000 C15 C 3.85100 1.10200 -0.29100 1.000 C16 C 3.97000 2.37600 0.22600 1.000 C17 C 5.33600 2.99000 0.39400 1.000 F18 F 5.68400 3.68100 -0.77100 1.000 F19 F 5.31800 3.87800 1.47500 1.000 F20 F 6.27400 1.98000 0.63600 1.000 C21 C 2.84400 3.09400 0.59000 1.000 C22 C 1.58900 2.54200 0.44900 1.000 C23 C 1.45300 1.26000 -0.08500 1.000 C24 C 0.10900 0.68600 -0.30100 1.000 O25 O -0.01700 -0.38400 -0.86500 1.000 N26 N -0.98900 1.36400 0.13700 1.000 C27 C -2.29300 0.76100 -0.16200 1.000 C28 C -3.36600 1.81300 -0.04400 1.000 O29 O -3.15200 2.82900 0.58200 1.000 N30 N -4.56200 1.62400 -0.63500 1.000 C31 C -5.64100 2.59400 -0.43200 1.000 C32 C -6.41200 2.45800 0.88200 1.000 N33 N -6.53100 1.03700 1.23500 1.000 C34 C -6.42100 3.05200 -1.66600 1.000 C35 C -5.43600 4.00500 -0.98800 1.000 H36 H -1.79000 -2.48600 2.34500 1.000 H37 H -3.63800 -0.55900 0.88800 1.000 H38 H -2.20600 -0.07000 1.82700 1.000 H39 H -1.75700 -0.98100 -1.64600 1.000 H40 H -0.59800 -3.01000 -2.41200 1.000 H41 H 2.11500 -5.18600 -0.43000 1.000 H42 H 1.69700 -5.43100 -2.14400 1.000 H43 H 1.59700 -3.15700 -2.58700 1.000 H44 H 1.07500 -2.75100 -0.93300 1.000 H45 H 3.61900 -3.86800 -0.57900 1.000 H46 H 3.78700 -2.89700 -2.05900 1.000 H47 H 2.85600 -1.96900 0.68500 1.000 H48 H 4.29000 -1.43400 -0.21800 1.000 H49 H 4.73300 0.55100 -0.57900 1.000 H50 H 2.95000 4.09300 0.98600 1.000 H51 H 0.71500 3.09800 0.75200 1.000 H52 H -0.91200 2.20100 0.62100 1.000 H53 H -2.28900 0.35500 -1.17400 1.000 H54 H -4.70900 0.84500 -1.19400 1.000 H55 H -5.87900 2.98600 1.67300 1.000 H56 H -7.40700 2.88800 0.76600 1.000 H57 H -5.62300 0.60200 1.29400 1.000 H58 H -7.04500 0.92000 2.09600 1.000 H59 H -6.13300 2.63000 -2.62900 1.000 H60 H -7.48500 3.25500 -1.54200 1.000 H61 H -5.85100 4.83600 -0.41700 1.000 H62 H -4.49800 4.21100 -1.50500 1.000