# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J5L' 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 -7.53500 5.75000 0.37100 1.000 C1 C 11.48300 -0.30500 0.26200 1.000 C2 C 4.84200 -3.35600 2.47500 1.000 C3 C 3.81800 -2.97500 0.22900 1.000 O4 O -8.09500 3.18800 -0.25200 1.000 O5 O -2.69300 -1.98500 -1.21000 1.000 O6 O 4.11700 1.19900 2.75000 1.000 O7 O 2.78300 2.09500 0.83500 1.000 O8 O 0.36900 1.02100 1.19200 1.000 C9 C -3.12300 -0.76400 -4.56000 1.000 C10 C -3.54600 0.07700 -3.54800 1.000 C11 C -1.82700 -1.24700 -4.56000 1.000 C12 C -2.67400 0.43600 -2.53700 1.000 C13 C -0.95500 -0.88800 -3.54900 1.000 C14 C 5.02700 1.54100 -0.92300 1.000 C15 C 6.15400 1.53000 -1.72300 1.000 C16 C 6.30600 0.68100 0.91500 1.000 C17 C -6.44500 2.14900 1.07900 1.000 C18 C -7.09600 -0.78300 2.25200 1.000 C19 C -5.25200 -3.40600 0.33300 1.000 C20 C -0.42800 0.34700 -1.43600 1.000 C21 C 3.27400 -1.44300 2.12600 1.000 C22 C 1.91900 -0.53300 0.18200 1.000 N23 N 8.64300 0.96700 -1.74800 1.000 N24 N -6.82100 4.58800 0.90500 1.000 N25 N 10.72900 0.22000 -0.87900 1.000 N26 N -1.86600 -0.58900 0.30600 1.000 O27 O -7.00700 0.95300 0.53500 1.000 O28 O -7.05700 -2.21900 2.11300 1.000 O29 O -6.66200 -3.71100 0.35000 1.000 O30 O -4.11100 -1.22400 0.31800 1.000 O31 O 8.72600 0.29900 0.36000 1.000 C32 C -7.18000 3.34500 0.52900 1.000 C33 C -2.88400 -1.29100 -0.23100 1.000 C34 C -1.37900 -0.04600 -2.53800 1.000 C35 C 5.10400 1.11700 0.39200 1.000 C36 C 9.45600 0.47500 -0.75800 1.000 C37 C 7.36300 1.09300 -1.20500 1.000 C38 C 7.44200 0.66600 0.12000 1.000 C39 C 4.37100 -2.29200 1.48100 1.000 C40 C 0.52100 -0.33600 0.77100 1.000 C41 C -0.53000 -0.66200 -0.29100 1.000 C42 C -6.37900 -0.24500 0.99400 1.000 C43 C -5.15900 -2.00600 -0.31300 1.000 N44 N 2.92300 -0.33700 1.23100 1.000 C45 C -7.32000 -2.48100 0.71900 1.000 C46 C -6.54100 -1.37300 -0.04600 1.000 S47 S 3.66200 1.13500 1.40500 1.000 H48 H -7.44200 5.76600 -0.71500 1.000 H49 H -8.58900 5.68600 0.64400 1.000 H50 H -7.10700 6.66200 0.78600 1.000 H51 H 12.52300 -0.45400 -0.02800 1.000 H52 H 11.43400 0.40600 1.08700 1.000 H53 H 11.05300 -1.25600 0.57500 1.000 H54 H 5.62400 -3.96100 2.01600 1.000 H55 H 5.23600 -2.86900 3.36800 1.000 H56 H 4.00300 -3.99400 2.75000 1.000 H57 H 2.89600 -3.50100 0.47800 1.000 H58 H 3.61200 -2.22400 -0.53400 1.000 H59 H 4.55100 -3.68700 -0.15100 1.000 H60 H 0.47200 1.66800 0.48000 1.000 H61 H -3.80500 -1.04800 -5.34700 1.000 H62 H -4.55800 0.45500 -3.54800 1.000 H63 H -1.49600 -1.90500 -5.35000 1.000 H64 H -3.00500 1.09400 -1.74700 1.000 H65 H 0.05700 -1.26500 -3.55000 1.000 H66 H 4.08500 1.88500 -1.32400 1.000 H67 H 6.09200 1.86000 -2.74900 1.000 H68 H 6.36100 0.35200 1.94200 1.000 H69 H -6.53900 2.13300 2.16500 1.000 H70 H -5.39200 2.21300 0.80600 1.000 H71 H -8.12800 -0.43300 2.27900 1.000 H72 H -6.56500 -0.47500 3.15200 1.000 H73 H -4.85600 -3.38200 1.34800 1.000 H74 H -4.71300 -4.13800 -0.26800 1.000 H75 H 0.59100 0.35600 -1.82300 1.000 H76 H -0.68700 1.34000 -1.07000 1.000 H77 H 2.39300 -2.06000 2.30300 1.000 H78 H 3.63300 -1.04300 3.07400 1.000 H79 H 2.00500 -1.54300 -0.21900 1.000 H80 H 2.08200 0.19000 -0.61700 1.000 H81 H 8.90800 1.18500 -2.65500 1.000 H82 H -6.08900 4.71400 1.53000 1.000 H83 H -2.01900 -0.03500 1.08800 1.000 H84 H 5.21000 -1.65400 1.20700 1.000 H85 H 0.39100 -0.99800 1.62700 1.000 H86 H -0.35900 -1.66700 -0.67500 1.000 H87 H -5.32400 -0.06600 1.20400 1.000 H88 H -4.97700 -2.09200 -1.38500 1.000 H89 H -8.38600 -2.49300 0.49000 1.000 H90 H -7.03800 -1.04000 -0.95800 1.000