# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JKB' 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 5.33300 -1.67300 -0.37000 1.000 C1 C 6.60300 -1.43100 0.11900 1.000 C2 C 4.58600 -0.63600 -0.89900 1.000 C3 C 7.12500 -0.14900 0.08400 1.000 C4 C 5.10700 0.64400 -0.93400 1.000 C5 C 6.37400 0.89000 -0.44000 1.000 C6 C 3.20400 -0.90200 -1.43700 1.000 N7 N 2.21900 -0.73700 -0.36000 1.000 C8 C 1.26300 0.75700 1.32900 1.000 C9 C 2.16300 0.66000 0.09200 1.000 N10 N -0.03900 0.15500 1.00800 1.000 C11 C -0.05700 -1.19400 0.42200 1.000 C12 C 0.89500 -1.21400 -0.78000 1.000 C13 C -1.18700 0.82100 1.24500 1.000 C14 C -2.47900 0.24200 0.82000 1.000 C15 C -4.50200 0.38800 -0.46600 1.000 C16 C -3.29700 0.93400 -0.07400 1.000 C17 C -4.90000 -0.84300 0.02500 1.000 C18 C -4.09000 -1.53700 0.90600 1.000 C19 C -2.88300 -1.00200 1.30700 1.000 O20 O -1.15900 1.89800 1.80800 1.000 N21 N -6.19400 -1.42300 -0.40000 1.000 O22 O -6.90600 -0.81600 -1.18000 1.000 O23 O -6.54600 -2.50600 0.03100 1.000 N24 N -2.87400 2.25100 -0.59900 1.000 O25 O -1.75900 2.67600 -0.35200 1.000 F26 F 8.36600 0.08900 0.56200 1.000 H27 H 4.92500 -2.67200 -0.34300 1.000 H28 H 7.18800 -2.24100 0.52800 1.000 H29 H 4.52300 1.45300 -1.34700 1.000 H30 H 6.78000 1.89000 -0.46700 1.000 H31 H 2.98500 -0.19900 -2.24000 1.000 H32 H 3.15400 -1.92100 -1.82200 1.000 H33 H 1.72200 0.21800 2.15800 1.000 H34 H 1.12600 1.80400 1.60100 1.000 H35 H 3.16700 1.00100 0.34500 1.000 H36 H 1.75500 1.28400 -0.70300 1.000 H37 H 0.27500 -1.92000 1.16300 1.000 H38 H -1.06700 -1.43700 0.09300 1.000 H39 H 0.50500 -0.56400 -1.56300 1.000 H40 H 0.97900 -2.23300 -1.16000 1.000 H41 H -5.13600 0.92300 -1.15800 1.000 H42 H -4.40700 -2.49700 1.28600 1.000 H43 H -2.25200 -1.54500 1.99500 1.000 O44 O -3.64000 2.91100 -1.27800 1.000