# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JK2' 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 3.66300 1.69000 0.19900 1.000 C1 C 3.24400 -1.61000 1.62500 1.000 C2 C -6.18700 1.17100 -0.77400 1.000 C3 C -0.45800 0.24700 0.80000 1.000 C4 C -2.91600 0.35200 0.41700 1.000 C5 C 5.87400 0.75600 0.16900 1.000 C6 C -5.25300 0.47900 -0.01400 1.000 C7 C 7.93800 -0.18500 -0.68300 1.000 C8 C 4.05300 -0.54600 1.03900 1.000 C9 C 3.17300 0.51900 0.76800 1.000 F10 F 9.97800 1.01300 -0.47100 1.000 C11 C 9.31800 -0.10700 -0.83900 1.000 C12 C 10.01200 -1.17800 -1.37100 1.000 C13 C 9.33600 -2.32400 -1.74700 1.000 C14 C 7.26400 -1.33900 -1.06200 1.000 C15 C 7.96400 -2.40400 -1.59300 1.000 N16 N 7.23100 0.89300 -0.14100 1.000 C17 C 4.99200 1.80400 -0.09500 1.000 C18 C 5.41200 -0.41800 0.73300 1.000 N19 N 1.92300 0.10900 1.16800 1.000 N20 N 2.01200 -1.18900 1.68200 1.000 C21 C 0.75000 0.86800 1.07700 1.000 C22 C 0.79700 2.24500 1.26200 1.000 C23 C -0.35800 2.99900 1.17300 1.000 C24 C -1.62400 1.00700 0.71000 1.000 C25 C -1.56600 2.38900 0.89900 1.000 O26 O -2.96400 -0.85100 0.25300 1.000 N27 N -4.04100 1.09000 0.33000 1.000 C28 C -5.52100 -0.81700 0.40600 1.000 C29 C -6.72100 -1.42100 0.06600 1.000 O30 O -6.98300 -2.69100 0.47700 1.000 C31 C -5.97700 -3.34100 1.25700 1.000 C32 C -7.65600 -0.73000 -0.69600 1.000 O33 O -8.83500 -1.32400 -1.03000 1.000 C34 C -9.92700 -1.15200 -0.12500 1.000 C35 C -7.38700 0.56700 -1.11500 1.000 O36 O -8.30200 1.24500 -1.85900 1.000 C37 C -7.95900 2.57500 -2.25500 1.000 H38 H 2.99100 2.50800 -0.01500 1.000 H39 H 3.60200 -2.57500 1.95200 1.000 H40 H -5.98000 2.18100 -1.09600 1.000 H41 H -0.49600 -0.82200 0.65100 1.000 H42 H 11.08400 -1.11900 -1.49300 1.000 H43 H 9.88100 -3.15900 -2.16300 1.000 H44 H 6.19200 -1.40200 -0.94300 1.000 H45 H 7.44000 -3.30100 -1.88900 1.000 H46 H 7.68300 1.73600 0.02100 1.000 H47 H 5.36400 2.71700 -0.53700 1.000 H48 H 6.09600 -1.22900 0.93700 1.000 H49 H 1.73900 2.72700 1.47700 1.000 H50 H -0.31500 4.06800 1.31800 1.000 H51 H -2.46600 2.98200 0.83000 1.000 H52 H -4.01100 2.04300 0.50600 1.000 H53 H -4.79400 -1.35400 0.99800 1.000 H54 H -5.79700 -2.77000 2.16700 1.000 H55 H -6.31200 -4.34500 1.51800 1.000 H56 H -5.05500 -3.40500 0.67900 1.000 H57 H -9.65900 -1.56100 0.84900 1.000 H58 H -10.15200 -0.09000 -0.02400 1.000 H59 H -10.80300 -1.67400 -0.51000 1.000 H60 H -8.77300 3.00000 -2.84200 1.000 H61 H -7.79300 3.18600 -1.36800 1.000 H62 H -7.05100 2.55200 -2.85600 1.000