# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1F' 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 -0.55700 2.84100 0.51500 1.000 C1 C 4.32600 -1.87500 0.15300 1.000 C2 C 3.05300 -1.31900 0.79500 1.000 C3 C 1.17300 0.09500 0.16400 1.000 C4 C 0.42900 0.93700 -0.84100 1.000 C5 C -1.93400 0.98100 -0.24800 1.000 C6 C -3.11800 1.63100 0.42000 1.000 C7 C -5.49400 1.18800 0.73000 1.000 C8 C -9.82000 -3.09500 -0.78800 1.000 C9 C -7.47300 -2.92300 -0.72000 1.000 C10 C -6.68300 0.35900 0.52900 1.000 C11 C -8.02300 0.86100 1.00600 1.000 C12 C 5.04000 -2.84200 1.12400 1.000 C13 C -8.07000 2.38600 0.88600 1.000 C14 C -8.23100 0.45600 2.46600 1.000 C15 C -8.93100 -1.05400 -0.19100 1.000 C16 C -7.62400 -1.57100 -0.31900 1.000 C17 C 6.54200 -2.57000 0.88800 1.000 C18 C 6.55800 -1.47100 -0.19800 1.000 C19 C 7.54300 0.66200 0.72300 1.000 C20 C 9.62000 0.48400 0.12700 1.000 C21 C 10.99400 0.60500 -0.14100 1.000 C22 C 10.92400 -1.42300 -1.24000 1.000 C23 C 8.95200 -0.66000 -0.34000 1.000 N24 N 2.33100 -0.50100 -0.18200 1.000 N25 N 7.64500 -0.52100 0.05400 1.000 N26 N -8.58900 -3.65100 -0.94300 1.000 N27 N -6.56300 -0.79800 -0.05900 1.000 N28 N -9.08100 0.26600 0.17300 1.000 N29 N 8.70200 1.25200 0.76200 1.000 N30 N 11.70600 1.71000 0.29400 1.000 N31 N 11.59500 -0.36500 -0.82200 1.000 N32 N 9.63700 -1.57900 -1.01300 1.000 N33 N -0.72200 1.56900 -0.19300 1.000 N34 N -4.30800 0.80200 0.21800 1.000 N35 N -9.97900 -1.83500 -0.42500 1.000 N36 N -10.92700 -3.86200 -1.01900 1.000 O37 O 0.72800 -0.04600 1.28300 1.000 O38 O -2.12800 4.25300 -1.33100 1.000 O39 O -0.37500 5.60700 0.08500 1.000 O40 O 0.35200 4.02300 -1.74000 1.000 O41 O 5.27800 -0.81400 -0.07700 1.000 O42 O 4.72000 -4.19800 0.80600 1.000 O43 O 7.19600 -3.75000 0.41600 1.000 O44 O -5.57500 2.22600 1.36100 1.000 O45 O -6.36600 -3.41400 -0.86000 1.000 O46 O -2.07000 -0.07200 -0.83400 1.000 P47 P -0.65800 4.21700 -0.67600 1.000 H48 H -1.34500 2.94700 1.26100 1.000 H49 H 0.41500 2.85800 1.00900 1.000 H50 H 4.08900 -2.38300 -0.78200 1.000 H51 H 2.41900 -2.14500 1.11800 1.000 H52 H 3.31900 -0.70700 1.65700 1.000 H53 H 1.09400 1.70700 -1.23300 1.000 H54 H 0.08300 0.30500 -1.66000 1.000 H55 H -2.92200 1.73300 1.48700 1.000 H56 H -3.28400 2.61700 -0.01500 1.000 H57 H 4.76900 -2.61700 2.15600 1.000 H58 H -7.73700 2.68300 -0.10800 1.000 H59 H -9.09200 2.73100 1.04500 1.000 H60 H -7.41600 2.83000 1.63600 1.000 H61 H -7.44200 0.88900 3.08000 1.000 H62 H -9.20000 0.81900 2.80900 1.000 H63 H -8.20100 -0.63100 2.54900 1.000 H64 H 7.01400 -2.21100 1.80200 1.000 H65 H 6.66600 -1.91700 -1.18700 1.000 H66 H 6.63300 1.05400 1.15400 1.000 H67 H 11.45100 -2.18900 -1.79000 1.000 H68 H 2.68600 -0.38800 -1.07700 1.000 H69 H -8.51100 -4.57900 -1.21700 1.000 H70 H -9.85200 0.78300 -0.10800 1.000 H71 H 11.25600 2.41200 0.79000 1.000 H72 H 12.65400 1.78200 0.10300 1.000 H73 H -4.24400 -0.02600 -0.28400 1.000 H74 H -10.82800 -4.78800 -1.29000 1.000 H75 H -11.81300 -3.48000 -0.91300 1.000 H76 H -2.84100 4.37800 -0.68900 1.000 H77 H -0.41300 6.38500 -0.48800 1.000 H78 H 5.14200 -4.84800 1.38500 1.000 H79 H 7.16300 -4.49200 1.03500 1.000