# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JKW' 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 0.27300 -4.12000 -1.18300 1.000 C1 C 4.68600 4.03600 -0.24600 1.000 C2 C -0.91700 -3.26500 -0.82800 1.000 C3 C -1.77400 -3.43400 0.26300 1.000 C4 C 4.73000 1.76100 0.44400 1.000 C5 C -2.81000 -1.63900 -0.54900 1.000 C6 C 3.56600 -0.74900 0.30300 1.000 C7 C 4.70000 -0.54700 1.09300 1.000 C8 C 5.27600 0.70400 1.16000 1.000 C9 C 3.60200 1.56400 -0.34200 1.000 C10 C 3.02100 0.31600 -0.41500 1.000 N11 N 1.89100 -2.39500 -0.47200 1.000 N12 N -2.76400 -2.55800 0.38300 1.000 C13 C 1.48000 -3.64200 -0.41800 1.000 N14 N -3.70600 -0.62600 -0.67500 1.000 C15 C 2.94600 -2.08900 0.22800 1.000 S16 S 3.51400 -3.52800 1.07100 1.000 C17 C 2.19900 -4.45900 0.35700 1.000 S18 S -1.43400 -2.00900 -1.60500 1.000 O19 O 5.29800 2.99300 0.51600 1.000 F20 F 3.36200 4.20600 0.17500 1.000 F21 F 5.39200 5.22800 -0.05700 1.000 F22 F 4.70300 3.69300 -1.60200 1.000 O23 O -1.61900 -4.34100 1.06500 1.000 C24 C -4.78200 -0.47400 0.30600 1.000 C25 C -5.64400 0.73400 -0.06500 1.000 C26 C -4.81200 2.01300 0.05700 1.000 C27 C -5.69500 3.22300 -0.25700 1.000 N28 N -6.82500 3.26200 0.68100 1.000 C29 C -7.66600 2.06500 0.54900 1.000 C30 C -6.84100 0.82100 0.88700 1.000 C31 C -7.61800 4.48500 0.50000 1.000 H32 H 0.06500 -5.15800 -0.92200 1.000 H33 H 0.46700 -4.04600 -2.25200 1.000 H34 H 5.12400 -1.36800 1.65000 1.000 H35 H 6.15300 0.86200 1.77000 1.000 H36 H 3.18100 2.38800 -0.89800 1.000 H37 H 2.14400 0.16300 -1.02600 1.000 H38 H -3.63300 -0.00400 -1.41600 1.000 H39 H 2.00800 -5.51000 0.51800 1.000 H40 H -5.39900 -1.37300 0.31100 1.000 H41 H -4.35200 -0.32300 1.29700 1.000 H42 H -6.00100 0.62700 -1.08900 1.000 H43 H -4.42300 2.10000 1.07100 1.000 H44 H -3.98200 1.97600 -0.64900 1.000 H45 H -5.10900 4.13700 -0.15700 1.000 H46 H -6.07200 3.14300 -1.27600 1.000 H47 H -8.51000 2.13800 1.23400 1.000 H48 H -8.03300 1.99100 -0.47400 1.000 H49 H -7.46100 -0.06800 0.77400 1.000 H50 H -6.48400 0.88900 1.91500 1.000 H51 H -8.00700 4.51800 -0.51800 1.000 H52 H -8.44800 4.48800 1.20600 1.000 H53 H -6.98700 5.35700 0.67600 1.000 H54 H -2.02000 -2.55200 -2.68700 1.000