# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FJJ' 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 -2.49300 -0.87800 1.70100 1.000 C1 C -1.22800 -1.67300 1.37200 1.000 C2 C -0.00200 -0.77300 1.54000 1.000 C3 C 1.26300 -1.56900 1.21100 1.000 C4 C 2.49600 -0.70900 1.49800 1.000 C5 C 3.76000 -1.50400 1.17000 1.000 C6 C 12.19700 0.97600 -3.07600 1.000 C7 C -6.57700 9.13400 -1.24200 1.000 C8 C -6.39200 8.02000 -0.20900 1.000 C9 C -5.56800 6.88700 -0.82300 1.000 C10 C -5.38300 5.77300 0.21000 1.000 C11 C -4.55900 4.64000 -0.40400 1.000 C12 C -4.37400 3.52600 0.62900 1.000 C13 C -3.55000 2.39300 0.01500 1.000 C14 C -3.36800 1.29600 1.03200 1.000 O15 O -3.85000 1.41000 2.13900 1.000 N16 N -2.67000 0.18900 0.71200 1.000 C17 C -3.70500 -1.81100 1.66700 1.000 O18 O -3.76800 -2.46400 0.39800 1.000 C19 C -4.87100 -3.36300 0.26100 1.000 O20 O -6.08800 -2.61800 0.19300 1.000 C21 C -6.14100 -1.68500 -0.88800 1.000 C22 C -7.47100 -0.92800 -0.84400 1.000 O23 O -7.52800 -0.13500 0.34300 1.000 C24 C -6.02600 -2.43800 -2.21600 1.000 O25 O -7.13500 -3.32800 -2.35800 1.000 C26 C -4.72200 -3.24000 -2.22700 1.000 O27 O -4.64100 -4.00400 -3.43200 1.000 C28 C -4.70400 -4.18300 -1.02100 1.000 O29 O -3.46000 -4.88500 -0.98100 1.000 O30 O -1.12400 -2.78900 2.25800 1.000 O31 O -0.10600 0.34300 0.65400 1.000 C32 C 4.97400 -0.65700 1.45200 1.000 O33 O 4.84100 0.47300 1.87500 1.000 N34 N 6.20900 -1.15400 1.23500 1.000 C35 C 7.25500 -0.42400 1.47900 1.000 C36 C 8.63500 -0.97900 1.23600 1.000 C37 C 9.40500 -0.04300 0.30200 1.000 C38 C 10.80500 -0.60700 0.05600 1.000 C39 C 11.56400 0.31500 -0.86300 1.000 C40 C 12.32200 1.34400 -0.33800 1.000 C41 C 13.01800 2.19000 -1.18200 1.000 C42 C 12.95500 2.00600 -2.55000 1.000 C43 C 11.50100 0.13100 -2.23200 1.000 H44 H -2.39900 -0.44000 2.69400 1.000 H45 H -1.28000 -2.02900 0.34300 1.000 H46 H 0.05000 -0.41700 2.56900 1.000 H47 H 1.29700 -2.46800 1.82700 1.000 H48 H 1.25300 -1.84900 0.15800 1.000 H49 H 2.46200 0.19100 0.88300 1.000 H50 H 2.50600 -0.42800 2.55100 1.000 H51 H 3.79400 -2.40300 1.78500 1.000 H52 H 3.75000 -1.78400 0.11600 1.000 H53 H 12.14400 0.83600 -4.14500 1.000 H54 H -7.16400 9.94100 -0.80500 1.000 H55 H -5.60100 9.51600 -1.54300 1.000 H56 H -7.09700 8.73800 -2.11500 1.000 H57 H -5.87200 8.41600 0.66300 1.000 H58 H -7.36800 7.63800 0.09100 1.000 H59 H -6.08800 6.49100 -1.69600 1.000 H60 H -4.59200 7.26900 -1.12400 1.000 H61 H -4.86400 6.16900 1.08200 1.000 H62 H -6.35900 5.39100 0.51100 1.000 H63 H -5.07900 4.24400 -1.27600 1.000 H64 H -3.58300 5.02200 -0.70500 1.000 H65 H -3.85500 3.92200 1.50100 1.000 H66 H -5.35000 3.14400 0.92900 1.000 H67 H -4.07000 1.99700 -0.85800 1.000 H68 H -2.57500 2.77500 -0.28600 1.000 H69 H -2.28400 0.09800 -0.17400 1.000 H70 H -3.61100 -2.55700 2.45600 1.000 H71 H -4.61500 -1.23000 1.82300 1.000 H72 H -4.90200 -4.03300 1.12000 1.000 H73 H -5.31800 -0.97700 -0.79800 1.000 H74 H -7.55000 -0.28100 -1.71700 1.000 H75 H -8.29500 -1.64200 -0.84400 1.000 H76 H -8.34500 0.37300 0.43800 1.000 H77 H -6.02400 -1.72400 -3.04000 1.000 H78 H -7.12700 -3.83800 -3.17900 1.000 H79 H -3.87400 -2.55800 -2.16900 1.000 H80 H -3.84100 -4.54200 -3.50400 1.000 H81 H -5.52400 -4.89700 -1.10500 1.000 H82 H -3.38000 -5.50200 -0.24000 1.000 H83 H -1.15000 -2.55200 3.19500 1.000 H84 H -0.15600 0.10000 -0.28100 1.000 H85 H 7.13600 0.58200 1.85500 1.000 H86 H 9.16500 -1.06300 2.18500 1.000 H87 H 8.55400 -1.96500 0.77700 1.000 H88 H 8.87500 0.04000 -0.64600 1.000 H89 H 9.48500 0.94200 0.76100 1.000 H90 H 11.33500 -0.69100 1.00500 1.000 H91 H 10.72500 -1.59300 -0.40300 1.000 H92 H 12.37100 1.48800 0.73100 1.000 H93 H 13.61100 2.99400 -0.77200 1.000 H94 H 13.49900 2.66700 -3.21000 1.000 H95 H 10.90800 -0.67300 -2.64200 1.000