# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKV' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -3.73900 0.20200 1.35000 1.000 C1 C -3.08800 -3.75600 -0.51300 1.000 C2 C -0.77800 -3.99100 -1.09800 1.000 C3 C -0.72900 -2.65300 -1.44000 1.000 C4 C -1.85700 -1.86500 -1.31400 1.000 C5 C -2.07500 1.94100 0.68100 1.000 C6 C -1.47700 2.68500 -0.48600 1.000 C7 C 0.28400 2.96300 -2.09800 1.000 C8 C -2.13300 3.77900 -1.01900 1.000 N9 N 0.40500 1.17200 -0.48200 1.000 C10 C 1.72200 1.00300 -0.71300 1.000 C11 C 2.41100 -0.25900 -0.26300 1.000 C12 C -1.95800 -4.54300 -0.63500 1.000 C13 C -0.37900 4.05100 -2.63100 1.000 C14 C 5.29100 1.87500 -0.55600 1.000 C15 C 4.44400 0.97600 1.49600 1.000 C16 C 4.42800 -2.03700 0.96500 1.000 C17 C 5.28300 -2.18200 -1.26800 1.000 C18 C -1.58400 4.46200 -2.09200 1.000 C19 C 5.90000 2.90000 0.14300 1.000 C20 C 5.04800 2.00200 2.19700 1.000 C21 C 5.03000 -3.24200 1.27500 1.000 C22 C 5.89000 -3.38400 -0.95800 1.000 C23 C 4.56100 0.91500 0.11900 1.000 C24 C 4.55200 -1.50800 -0.30600 1.000 C25 C -0.26400 2.27500 -1.02300 1.000 C26 C 5.77900 2.96400 1.52100 1.000 C27 C 5.76200 -3.91700 0.31300 1.000 C28 C -3.03900 -2.41800 -0.85500 1.000 C29 C -5.47900 -1.56600 1.81900 1.000 C30 C -4.64700 1.21200 2.06000 1.000 C31 C -6.31800 -0.48600 2.51100 1.000 C32 C -7.23700 0.18000 1.48600 1.000 C33 C -3.04600 0.87800 0.16500 1.000 C34 C 3.89100 -0.19700 -0.64500 1.000 N35 N -4.56900 -0.91200 0.86700 1.000 N36 N -5.42500 0.52200 3.09700 1.000 O37 O 2.35400 1.86800 -1.28300 1.000 O38 O -4.24400 -0.25400 -1.49000 1.000 O39 O -5.59100 -2.28000 -0.91500 1.000 F40 F 6.37100 3.96800 2.20500 1.000 F41 F 6.35500 -5.09200 0.61700 1.000 F42 F -3.31100 4.18200 -0.49400 1.000 S43 S -4.48100 -1.41700 -0.70800 1.000 H44 H -2.99200 -0.17400 2.04900 1.000 H45 H -4.01100 -4.18800 -0.15500 1.000 H46 H 0.10400 -4.60700 -1.19700 1.000 H47 H 0.19200 -2.22300 -1.80600 1.000 H48 H -1.81900 -0.81900 -1.58100 1.000 H49 H -1.28000 1.46100 1.25200 1.000 H50 H -2.61000 2.64200 1.32200 1.000 H51 H 1.22500 2.64300 -2.52100 1.000 H52 H -0.07800 0.52900 0.06000 1.000 H53 H 2.31800 -0.35800 0.81900 1.000 H54 H 1.94600 -1.11800 -0.74700 1.000 H55 H -1.99700 -5.58900 -0.36800 1.000 H56 H 0.04600 4.58300 -3.47000 1.000 H57 H 5.38100 1.82700 -1.63100 1.000 H58 H 3.87300 0.22500 2.02200 1.000 H59 H 3.85700 -1.51000 1.71500 1.000 H60 H 5.37900 -1.76800 -2.26000 1.000 H61 H -2.09700 5.31600 -2.50700 1.000 H62 H 6.47100 3.64900 -0.38500 1.000 H63 H 4.95700 2.04900 3.27200 1.000 H64 H 4.92900 -3.65600 2.26700 1.000 H65 H 6.46000 -3.91100 -1.70900 1.000 H66 H -4.89900 -2.11200 2.56400 1.000 H67 H -6.13500 -2.25600 1.28900 1.000 H68 H -4.03600 1.98900 2.52000 1.000 H69 H -5.32500 1.66300 1.33600 1.000 H70 H -6.91900 -0.94100 3.29800 1.000 H71 H -7.89800 -0.56900 1.04900 1.000 H72 H -7.83400 0.94800 1.97800 1.000 H73 H -6.63500 0.63600 0.70000 1.000 H74 H -2.49600 0.13100 -0.40800 1.000 H75 H -3.79400 1.34800 -0.47400 1.000 H76 H 3.98300 -0.01000 -1.71500 1.000 H77 H -4.81800 0.10900 3.78900 1.000