# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J6J' 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 6.22200 0.47800 0.47300 1.000 C1 C 7.21300 -0.09300 1.27600 1.000 C2 C 8.44500 0.51600 1.38300 1.000 C3 C 8.70100 1.69400 0.69800 1.000 C4 C 7.72100 2.26600 -0.09900 1.000 C5 C -0.74300 -1.93800 -0.79100 1.000 C6 C 3.39700 3.89500 -1.53300 1.000 C7 C -1.19000 -3.13800 -1.34600 1.000 C8 C -2.48100 -3.24800 -1.81700 1.000 C9 C -3.34600 -2.16600 -1.74200 1.000 C10 C -5.44700 2.22200 0.60500 1.000 C11 C -3.82300 0.19800 -1.10500 1.000 C12 C -4.66100 3.33200 -1.60700 1.000 O13 O 4.53300 -1.30000 0.97600 1.000 C14 C 4.90000 -0.16600 0.35800 1.000 C15 C 3.84300 0.30600 -0.40300 1.000 C16 C 2.74900 -0.66500 -0.20000 1.000 C17 C 3.26100 -1.63700 0.67400 1.000 C18 C 1.44700 -0.76000 -0.67800 1.000 C19 C 0.64800 -1.82700 -0.28700 1.000 C20 C 1.15900 -2.79900 0.58600 1.000 C21 C 2.45500 -2.70100 1.06100 1.000 C22 C 3.81600 1.51400 -1.23400 1.000 O23 O 4.14900 1.45500 -2.40300 1.000 N24 N 3.42400 2.68900 -0.70300 1.000 C25 C 6.48600 1.66600 -0.21500 1.000 F26 F 9.91000 2.28700 0.80800 1.000 C27 C -2.90700 -0.95600 -1.18700 1.000 C28 C -1.59900 -0.84500 -0.71500 1.000 N29 N -3.39800 1.36000 -0.57000 1.000 O30 O -4.96200 0.10000 -1.52000 1.000 N31 N 0.35500 -3.87000 0.97900 1.000 C32 C -4.33800 2.46800 -0.38600 1.000 C33 C -3.78300 3.89000 -0.48500 1.000 N34 N -5.23300 1.40500 1.61600 1.000 C35 C -6.18200 1.16400 2.50600 1.000 C36 C -7.41500 1.78600 2.36300 1.000 C37 C -7.60100 2.64000 1.28500 1.000 N38 N -6.60200 2.83500 0.43900 1.000 C39 C 0.88500 -4.88700 1.89100 1.000 C40 C -0.19100 -5.94200 2.15800 1.000 F41 F -8.41000 1.56100 3.24800 1.000 O42 O -4.61500 -2.27800 -2.20700 1.000 C43 C -4.99400 -3.54000 -2.76100 1.000 H44 H 7.01500 -1.01100 1.81000 1.000 H45 H 9.21200 0.07600 2.00300 1.000 H46 H 7.92600 3.18400 -0.63000 1.000 H47 H 4.39900 4.09900 -1.91100 1.000 H48 H 2.71700 3.74500 -2.37100 1.000 H49 H 3.05500 4.74000 -0.93500 1.000 H50 H -0.52100 -3.98400 -1.40800 1.000 H51 H -2.82000 -4.18000 -2.24500 1.000 H52 H -4.17300 3.07500 -2.54700 1.000 H53 H -5.67500 3.72200 -1.69400 1.000 H54 H 1.05900 -0.00900 -1.35000 1.000 H55 H 2.84100 -3.45400 1.73200 1.000 H56 H 3.15900 2.73500 0.22900 1.000 H57 H 5.72400 2.11200 -0.83700 1.000 H58 H -1.25400 0.08400 -0.28600 1.000 H59 H -2.47000 1.46200 -0.30800 1.000 H60 H -0.55400 -3.94100 0.64800 1.000 H61 H -2.71700 4.00100 -0.68800 1.000 H62 H -4.21900 4.64800 0.16600 1.000 H63 H -6.00000 0.49300 3.33200 1.000 H64 H -8.54600 3.14200 1.14000 1.000 H65 H 1.75500 -5.36300 1.43900 1.000 H66 H 1.17500 -4.41700 2.83100 1.000 H67 H -1.06100 -5.46600 2.61100 1.000 H68 H -0.48100 -6.41200 1.21900 1.000 H69 H 0.20300 -6.69900 2.83700 1.000 H70 H -4.35000 -3.77300 -3.60900 1.000 H71 H -4.89100 -4.31500 -2.00200 1.000 H72 H -6.03100 -3.49300 -3.09400 1.000