# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKJ' 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 3.65500 -1.96400 -0.30800 1.000 F1 F 4.96800 -5.31900 -0.72400 1.000 N2 N 1.77200 0.03000 1.00200 1.000 C3 C 0.75800 3.17800 0.56400 1.000 N4 N -3.96500 -0.23900 0.20600 1.000 C5 C -4.92100 -1.22600 -0.30100 1.000 N6 N 0.62600 0.81300 1.17400 1.000 C7 C -6.33500 -0.64500 -0.24100 1.000 C8 C -7.33400 -1.67600 -0.77100 1.000 C9 C -8.74800 -1.09400 -0.71100 1.000 C10 C 2.37800 -2.24400 0.17700 1.000 C11 C 1.98000 -3.56800 0.35500 1.000 C12 C 2.85000 -4.59400 0.05200 1.000 C13 C 4.11800 -4.31100 -0.42900 1.000 C14 C 4.51600 -2.99700 -0.61300 1.000 C15 C -0.93600 -2.07200 -0.15400 1.000 N16 N -2.21300 -1.73400 -0.17400 1.000 C17 C -2.61500 -0.54100 0.25000 1.000 N18 N -1.77300 0.36800 0.71000 1.000 C19 C -0.00700 -1.14700 0.32300 1.000 C20 C -0.46900 0.11100 0.76500 1.000 C21 C 1.44600 -1.13700 0.50200 1.000 C22 C 0.60600 2.17600 1.71000 1.000 C23 C 0.61200 4.60100 1.10700 1.000 C24 C 2.13800 3.01500 -0.07500 1.000 C25 C 2.29000 4.01700 -1.22200 1.000 C26 C 2.14500 5.44000 -0.67900 1.000 C27 C 0.76400 5.60200 -0.04000 1.000 N28 N 2.29100 6.40100 -1.78000 1.000 H29 H 3.96700 -0.93900 -0.44700 1.000 H30 H -0.01300 2.99400 -0.18400 1.000 H31 H -4.27800 0.62700 0.51200 1.000 H32 H -4.67400 -1.47500 -1.33300 1.000 H33 H -4.87300 -2.12700 0.31200 1.000 H34 H -6.58300 -0.39600 0.79100 1.000 H35 H -6.38400 0.25600 -0.85400 1.000 H36 H -7.08600 -1.92400 -1.80300 1.000 H37 H -7.28500 -2.57600 -0.15800 1.000 H38 H -9.45900 -1.82900 -1.08800 1.000 H39 H -8.99500 -0.84500 0.32100 1.000 H40 H -8.79600 -0.19400 -1.32300 1.000 H41 H 0.99100 -3.79000 0.73000 1.000 H42 H 2.54200 -5.62100 0.18900 1.000 H43 H 5.50400 -2.78100 -0.99200 1.000 H44 H -0.61700 -3.04400 -0.50100 1.000 H45 H 1.42800 2.30200 2.41400 1.000 H46 H -0.34100 2.35100 2.22200 1.000 H47 H -0.37200 4.71700 1.56200 1.000 H48 H 1.38300 4.78500 1.85500 1.000 H49 H 2.90900 3.19900 0.67300 1.000 H50 H 2.24200 2.00100 -0.46200 1.000 H51 H 3.27400 3.90100 -1.67800 1.000 H52 H 1.52000 3.83200 -1.97000 1.000 H53 H 2.91500 5.62400 0.06900 1.000 H54 H -0.00700 5.41800 -0.78800 1.000 H55 H 0.66000 6.61600 0.34700 1.000 H56 H 2.19800 7.34900 -1.44700 1.000 H57 H 3.16900 6.27100 -2.26000 1.000