# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKK' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.98800 -2.04800 0.48100 1.000 C1 C -0.64700 0.18500 -0.78700 1.000 C2 C 0.59500 -0.38700 -0.58600 1.000 C3 C 0.72900 -1.46700 0.27800 1.000 C4 C -0.38300 -1.97000 0.93800 1.000 C5 C -1.62400 -1.39800 0.73700 1.000 C6 C -1.76000 -0.32000 -0.12500 1.000 C7 C -3.24200 1.42600 0.28000 1.000 C8 C 3.10500 -1.31400 0.31000 1.000 C9 C -4.45100 2.10900 0.02400 1.000 C10 C -6.62500 -1.62000 -1.67700 1.000 F11 F 10.79700 2.02700 -0.54500 1.000 C12 C 9.83300 1.10200 -0.34200 1.000 C13 C 9.37400 0.84900 0.93900 1.000 C14 C 8.38800 -0.09700 1.14500 1.000 C15 C 9.30100 0.41000 -1.41700 1.000 C16 C 8.31500 -0.53600 -1.20900 1.000 C17 C 7.86100 -0.79200 0.07200 1.000 C18 C 6.78600 -1.82400 0.29800 1.000 C19 C 5.43300 -1.16700 0.21400 1.000 O20 O 5.34900 0.02200 -0.00700 1.000 N21 N 4.31600 -1.90100 0.38500 1.000 O22 O 3.02100 -0.12200 0.08900 1.000 F23 F -0.77800 1.23900 -1.62200 1.000 O24 O -2.98200 0.24300 -0.32200 1.000 N25 N -2.36400 1.95900 1.11200 1.000 C26 C -2.59200 3.12500 1.71500 1.000 N27 N -3.68700 3.80700 1.52300 1.000 N28 N -4.67700 3.31500 0.66000 1.000 C29 C -5.87800 3.78400 0.27300 1.000 C30 C -6.43700 2.90700 -0.60300 1.000 C31 C -5.54900 1.84300 -0.77100 1.000 C32 C -5.75000 0.63700 -1.65200 1.000 N33 N -6.19300 -0.49900 -0.83300 1.000 C34 C -5.14000 -0.91500 0.10300 1.000 C35 C -5.68400 -1.99900 1.03600 1.000 C36 C -6.15300 -3.19500 0.20200 1.000 C37 C -7.21400 -2.72600 -0.79800 1.000 N38 N -6.72900 -4.21500 1.08700 1.000 H39 H 2.05500 -2.97800 0.74900 1.000 H40 H 1.46000 0.00500 -1.10000 1.000 H41 H -0.27800 -2.80900 1.60900 1.000 H42 H -2.48900 -1.79000 1.25000 1.000 H43 H -7.38300 -1.27400 -2.38000 1.000 H44 H -5.77000 -2.01100 -2.22800 1.000 H45 H 9.78600 1.39000 1.77800 1.000 H46 H 8.02900 -0.29500 2.14400 1.000 H47 H 9.65500 0.60900 -2.41700 1.000 H48 H 7.89900 -1.07600 -2.04700 1.000 H49 H 6.86200 -2.59900 -0.46500 1.000 H50 H 6.91300 -2.27100 1.28400 1.000 H51 H 4.38300 -2.85300 0.56200 1.000 H52 H -1.84400 3.51900 2.38600 1.000 H53 H -6.32500 4.70900 0.60500 1.000 H54 H -7.39800 3.01400 -1.08200 1.000 H55 H -6.50700 0.85900 -2.40500 1.000 H56 H -4.81100 0.38600 -2.14400 1.000 H57 H -4.29200 -1.30900 -0.45600 1.000 H58 H -4.81900 -0.05600 0.69300 1.000 H59 H -4.89800 -2.31900 1.72000 1.000 H60 H -6.52400 -1.60200 1.60500 1.000 H61 H -5.30500 -3.61700 -0.33800 1.000 H62 H -8.07700 -2.33900 -0.25700 1.000 H63 H -7.52000 -3.56400 -1.42300 1.000 H64 H -7.04600 -5.01500 0.55900 1.000 H65 H -6.07000 -4.49000 1.79900 1.000