# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CK9' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 3.76200 -0.54500 -2.05700 1.000 C1 C 4.42400 -0.61000 -0.87200 1.000 C2 C 5.71900 -1.10700 -0.82500 1.000 C3 C 6.38900 -1.17300 0.38100 1.000 C4 C 5.77300 -0.73800 1.54000 1.000 C5 C 4.48500 -0.23700 1.49500 1.000 C6 C 3.81100 -0.17000 0.29200 1.000 C7 C 2.40700 0.37600 0.24400 1.000 N8 N 1.45200 -0.73500 0.19800 1.000 C9 C 0.09400 -0.47800 0.14900 1.000 C10 C -0.83500 -1.53200 0.10500 1.000 N11 N -0.74000 -2.88400 0.09500 1.000 C12 C -1.93200 -3.40200 0.04600 1.000 C13 C -2.20200 -1.21300 0.05600 1.000 N14 N -2.87000 -2.41100 0.02000 1.000 C15 C -4.32200 -2.59300 -0.03500 1.000 C16 C -4.69200 -3.36000 -1.30700 1.000 C17 C -4.78400 -3.38400 1.19000 1.000 N18 N -2.57000 0.06500 0.05900 1.000 C19 C -1.66200 1.02600 0.09700 1.000 N20 N -0.36100 0.77100 0.14300 1.000 N21 N -2.08500 2.34600 0.09300 1.000 C22 C -1.10100 3.43000 0.13900 1.000 C23 C -1.74800 4.68100 0.73600 1.000 C24 C -2.12500 4.41400 2.19500 1.000 C25 C -0.61200 3.73600 -1.27800 1.000 O26 O -1.69700 4.24300 -2.05700 1.000 H27 H 3.29400 -1.38500 -2.16200 1.000 H28 H 6.20000 -1.44700 -1.73000 1.000 H29 H 7.39500 -1.56300 0.41800 1.000 H30 H 6.29900 -0.78900 2.48200 1.000 H31 H 4.00600 0.10200 2.40200 1.000 H32 H 2.28700 0.99400 -0.64600 1.000 H33 H 2.22000 0.97800 1.13300 1.000 H34 H 1.77300 -1.65000 0.20100 1.000 H35 H -2.14800 -4.46000 0.02700 1.000 H36 H -4.81000 -1.61900 -0.04400 1.000 H37 H -5.77300 -3.49600 -1.34800 1.000 H38 H -4.36300 -2.79700 -2.18000 1.000 H39 H -4.20400 -4.33500 -1.29800 1.000 H40 H -4.52100 -2.83700 2.09600 1.000 H41 H -5.86500 -3.51900 1.14900 1.000 H42 H -4.29600 -4.35800 1.19900 1.000 H43 H -3.03200 2.55100 0.05900 1.000 H44 H -0.25600 3.12800 0.75800 1.000 H45 H -2.64500 4.93200 0.16900 1.000 H46 H -1.04500 5.51200 0.68900 1.000 H47 H -2.58600 5.30500 2.62000 1.000 H48 H -2.82900 3.58200 2.24200 1.000 H49 H -1.22800 4.16300 2.76100 1.000 H50 H 0.18400 4.48000 -1.23500 1.000 H51 H -0.23100 2.82300 -1.73600 1.000 H52 H -1.34600 4.42200 -2.94100 1.000