# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JEF' 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 -2.36300 5.08100 0.92000 1.000 O1 O -3.02400 4.41800 -0.15900 1.000 C2 C -4.32600 4.93300 -0.44700 1.000 C3 C -4.98600 4.07600 -1.52800 1.000 O4 O -5.20100 2.75600 -1.02400 1.000 C5 C -5.91700 1.90100 -1.91800 1.000 C6 C -4.92400 1.10100 -2.76300 1.000 C7 C -6.79200 0.93900 -1.11200 1.000 O8 O -5.96100 0.07900 -0.33100 1.000 C9 C -6.67700 -0.93000 0.38300 1.000 C10 C -6.72600 -2.21100 -0.45300 1.000 C11 C -5.97000 -1.21500 1.71000 1.000 O12 O -4.67600 -1.76400 1.45200 1.000 C13 C -3.97300 -2.17100 2.62800 1.000 C14 C -3.06200 -1.03500 3.09700 1.000 C15 C -3.12700 -3.40700 2.31300 1.000 O16 O -2.12600 -3.06700 1.35200 1.000 C17 C -1.21600 -4.12900 1.06000 1.000 C18 C 0.01600 -4.00600 1.95900 1.000 C19 C -0.78700 -4.04500 -0.40600 1.000 O20 O -0.04600 -2.84100 -0.61800 1.000 C21 C 0.30600 -2.60800 -1.98300 1.000 C22 C 0.49900 -1.10700 -2.21100 1.000 C23 C 1.60700 -3.34500 -2.30700 1.000 O24 O 2.67300 -2.79100 -1.53400 1.000 C25 C 3.95600 -3.34300 -1.83400 1.000 C26 C 4.57300 -2.58800 -3.01300 1.000 C27 C 4.86700 -3.21100 -0.61200 1.000 O28 O 5.08700 -1.82800 -0.32800 1.000 C29 C 6.01600 -1.59200 0.73100 1.000 C30 C 5.25600 -1.42700 2.04900 1.000 C31 C 6.81200 -0.31900 0.43800 1.000 O32 O 5.92900 0.80500 0.43800 1.000 C33 C 6.55400 2.03400 0.06200 1.000 C34 C 7.02500 2.77100 1.31800 1.000 C35 C 5.55000 2.90600 -0.69400 1.000 O36 O 4.47500 3.26000 0.17900 1.000 C37 C 3.42200 3.98400 -0.46100 1.000 C38 C 2.39200 4.41700 0.58500 1.000 C39 C 1.90300 3.19000 1.35800 1.000 N40 N 3.01100 5.36800 1.51800 1.000 H41 H -2.16500 6.11700 0.64400 1.000 H42 H -2.99700 5.05600 1.80600 1.000 H43 H -1.42100 4.57600 1.13400 1.000 H44 H -4.93400 4.91100 0.45700 1.000 H45 H -4.24000 5.96100 -0.80100 1.000 H46 H -5.94200 4.51700 -1.80900 1.000 H47 H -4.33700 4.02900 -2.40200 1.000 H48 H -6.54600 2.50500 -2.57100 1.000 H49 H -5.46800 0.51000 -3.50000 1.000 H50 H -4.24700 1.78600 -3.27400 1.000 H51 H -4.34900 0.43700 -2.11700 1.000 H52 H -7.44600 1.50900 -0.45200 1.000 H53 H -7.39600 0.34000 -1.79400 1.000 H54 H -7.69200 -0.58500 0.57900 1.000 H55 H -7.27300 -2.98000 0.09200 1.000 H56 H -7.23000 -2.00800 -1.39800 1.000 H57 H -5.71100 -2.55600 -0.64900 1.000 H58 H -5.86500 -0.28700 2.27200 1.000 H59 H -6.55800 -1.92600 2.29000 1.000 H60 H -4.68800 -2.41200 3.41400 1.000 H61 H -2.34700 -0.79500 2.31000 1.000 H62 H -3.66500 -0.15500 3.32000 1.000 H63 H -2.52600 -1.34600 3.99300 1.000 H64 H -2.64800 -3.76100 3.22600 1.000 H65 H -3.76600 -4.19200 1.91000 1.000 H66 H -1.70400 -5.08600 1.24200 1.000 H67 H 0.50400 -3.04800 1.77800 1.000 H68 H -0.28900 -4.06500 3.00400 1.000 H69 H 0.71100 -4.81600 1.73700 1.000 H70 H -0.16300 -4.90400 -0.65200 1.000 H71 H -1.67100 -4.04400 -1.04400 1.000 H72 H -0.49100 -2.97400 -2.63100 1.000 H73 H 1.29500 -0.74100 -1.56200 1.000 H74 H 0.76700 -0.92900 -3.25200 1.000 H75 H -0.42800 -0.58200 -1.97900 1.000 H76 H 1.49500 -4.40200 -2.06800 1.000 H77 H 1.83200 -3.23400 -3.36800 1.000 H78 H 3.84700 -4.39600 -2.09400 1.000 H79 H 4.68200 -1.53500 -2.75300 1.000 H80 H 5.55200 -3.00900 -3.24200 1.000 H81 H 3.92400 -2.68200 -3.88400 1.000 H82 H 4.39400 -3.68700 0.24700 1.000 H83 H 5.82100 -3.69700 -0.81600 1.000 H84 H 6.69900 -2.43800 0.81000 1.000 H85 H 4.57200 -0.58100 1.97000 1.000 H86 H 4.68900 -2.33400 2.25800 1.000 H87 H 5.96400 -1.24700 2.85700 1.000 H88 H 7.57400 -0.18200 1.20500 1.000 H89 H 7.29000 -0.40600 -0.53800 1.000 H90 H 7.41000 1.82600 -0.58000 1.000 H91 H 7.57300 3.66800 1.02900 1.000 H92 H 6.16200 3.05000 1.92100 1.000 H93 H 7.67800 2.11800 1.89800 1.000 H94 H 6.04600 3.81100 -1.04400 1.000 H95 H 5.15800 2.35300 -1.54700 1.000 H96 H 3.83300 4.86600 -0.95100 1.000 H97 H 2.94100 3.34700 -1.20200 1.000 H98 H 1.54700 4.89300 0.08800 1.000 H99 H 1.52600 2.44500 0.65700 1.000 H100 H 2.73100 2.76600 1.92700 1.000 H101 H 1.10600 3.48400 2.04000 1.000 H102 H 3.32700 6.19500 1.03400 1.000 H103 H 2.37600 5.60700 2.26500 1.000