# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAY' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F0 F -4.68600 2.66800 -0.42800 1.000 C1 C -5.24200 1.79600 -1.29800 1.000 C2 C -6.35600 2.16600 -2.03300 1.000 C3 C -6.92400 1.27400 -2.92200 1.000 C4 C -6.38100 0.01200 -3.07800 1.000 C5 C -5.26900 -0.35800 -2.34400 1.000 C6 C -4.69600 0.53500 -1.45900 1.000 C7 C -3.48400 0.13000 -0.65900 1.000 N8 N -3.40900 -1.33400 -0.59700 1.000 C9 C -4.25900 -2.01100 0.27100 1.000 C10 C -4.67700 -3.30700 0.01900 1.000 C11 C -5.50900 -3.94400 0.91900 1.000 C12 C -5.92600 -3.29900 2.07200 1.000 C13 C -5.52000 -2.00700 2.33700 1.000 C14 C -4.68800 -1.35000 1.43600 1.000 C15 C -4.22700 0.03000 1.67200 1.000 O16 O -4.42400 0.56700 2.74500 1.000 N17 N -3.58500 0.68800 0.69000 1.000 C18 C -2.97400 1.98800 0.97400 1.000 C19 C -2.19700 1.91200 2.29100 1.000 C20 C -1.06800 0.88800 2.15300 1.000 C21 C -2.01100 2.35900 -0.15700 1.000 C22 C -0.88700 1.32200 -0.22400 1.000 N23 N -0.17400 1.28700 1.05900 1.000 C24 C 0.99700 0.40300 0.98700 1.000 C25 C 2.01900 0.99000 0.01100 1.000 N26 N 3.18700 0.10800 -0.06100 1.000 C27 C 3.25400 -0.82500 -1.03300 1.000 O28 O 2.38600 -0.89100 -1.88300 1.000 C29 C 4.39000 -1.76300 -1.05400 1.000 C30 C 4.66900 -2.55300 -2.16700 1.000 C31 C 5.74300 -3.41800 -2.13400 1.000 C32 C 6.54200 -3.50600 -1.00500 1.000 C33 C 6.27800 -2.72700 0.10500 1.000 C34 C 5.20600 -1.85300 0.08900 1.000 N35 N 4.90200 -1.03900 1.17400 1.000 C36 C 4.26300 0.26000 0.91900 1.000 C37 C 5.29300 1.22800 0.39600 1.000 C38 C 6.59100 1.18500 0.87700 1.000 F39 F 6.93500 0.27500 1.81400 1.000 C40 C 7.53600 2.07500 0.39500 1.000 C41 C 7.18300 3.00500 -0.56400 1.000 C42 C 5.88600 3.04700 -1.04300 1.000 C43 C 4.94300 2.15600 -0.56700 1.000 H44 H -6.78100 3.15200 -1.91100 1.000 H45 H -7.79300 1.56300 -3.49500 1.000 H46 H -6.82500 -0.68400 -3.77300 1.000 H47 H -4.84600 -1.34400 -2.46700 1.000 H48 H -2.58700 0.51700 -1.14300 1.000 H49 H -2.77900 -1.82100 -1.15100 1.000 H50 H -4.35400 -3.81600 -0.87700 1.000 H51 H -5.83700 -4.95400 0.72100 1.000 H52 H -6.57300 -3.81100 2.76900 1.000 H53 H -5.84700 -1.50900 3.23800 1.000 H54 H -3.75300 2.74700 1.05400 1.000 H55 H -1.77500 2.89000 2.52200 1.000 H56 H -2.86900 1.60700 3.09300 1.000 H57 H -0.50400 0.84100 3.08500 1.000 H58 H -1.49200 -0.09300 1.93600 1.000 H59 H -2.55000 2.37300 -1.10400 1.000 H60 H -1.58600 3.34400 0.03500 1.000 H61 H -1.31200 0.33900 -0.43000 1.000 H62 H -0.19200 1.59000 -1.01900 1.000 H63 H 1.44700 0.31500 1.97500 1.000 H64 H 0.68700 -0.58200 0.63900 1.000 H65 H 1.56900 1.07800 -0.97800 1.000 H66 H 2.32900 1.97600 0.35900 1.000 H67 H 4.04900 -2.48800 -3.04800 1.000 H68 H 5.96200 -4.03200 -2.99500 1.000 H69 H 7.37900 -4.18900 -0.99400 1.000 H70 H 6.90500 -2.80100 0.98100 1.000 H71 H 5.10900 -1.32200 2.07900 1.000 H72 H 3.84700 0.64700 1.84900 1.000 H73 H 8.54800 2.04300 0.76900 1.000 H74 H 7.91900 3.70000 -0.94000 1.000 H75 H 5.61100 3.77400 -1.79300 1.000 H76 H 3.93200 2.18700 -0.94500 1.000