# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J6E' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 5.45100 -1.56800 -0.11100 1.000 N1 N -3.80600 2.32300 -0.13100 1.000 C2 C 4.38300 -0.74900 -0.17900 1.000 C3 C 5.50200 -2.95400 -0.59900 1.000 C4 C 6.91100 -3.49900 -0.28500 1.000 C5 C 7.39100 -2.57900 0.86900 1.000 C6 C 6.76600 -1.22000 0.46000 1.000 C7 C 1.01700 1.79000 0.04400 1.000 C8 C -1.89100 -0.53700 0.36000 1.000 C9 C -4.80800 1.44300 -0.00900 1.000 C10 C -4.58300 -1.99000 -0.61500 1.000 C11 C -6.44000 -0.74400 0.30900 1.000 O12 O 3.34600 -1.14300 -0.67800 1.000 N13 N 4.46300 0.50600 0.30600 1.000 C14 C 3.38600 1.38700 0.14900 1.000 C15 C 3.62200 2.74100 -0.05900 1.000 C16 C 2.56400 3.61500 -0.21900 1.000 C17 C 2.08700 0.90900 0.20000 1.000 C18 C 1.26300 3.14900 -0.16900 1.000 F19 F 0.23100 4.00600 -0.32700 1.000 C20 C -0.37400 1.28600 0.09700 1.000 N21 N -1.38300 2.12400 -0.05500 1.000 C22 C -2.64900 1.68900 -0.00900 1.000 N23 N -2.91800 0.35500 0.19900 1.000 C24 C -0.61700 -0.09100 0.31300 1.000 C25 C -4.27900 0.21100 0.19700 1.000 N26 N -4.99100 -0.98100 0.37300 1.000 C27 C -7.17900 -2.06000 0.56600 1.000 O28 O -6.74700 -3.03700 -0.38500 1.000 C29 C -5.34000 -3.29300 -0.34900 1.000 H30 H 4.74900 -3.55400 -0.08800 1.000 H31 H 5.32500 -2.97500 -1.67400 1.000 H32 H 6.85800 -4.53700 0.04600 1.000 H33 H 7.56300 -3.40500 -1.15300 1.000 H34 H 7.00100 -2.92000 1.82800 1.000 H35 H 8.47900 -2.51600 0.89100 1.000 H36 H 7.38900 -0.72400 -0.28500 1.000 H37 H 6.63800 -0.58200 1.33400 1.000 H38 H -2.09700 -1.58500 0.52300 1.000 H39 H -5.86100 1.67600 -0.06500 1.000 H40 H -4.81700 -1.63200 -1.61800 1.000 H41 H -3.51100 -2.16800 -0.53300 1.000 H42 H -6.72400 -0.01400 1.06600 1.000 H43 H -6.70300 -0.36600 -0.67900 1.000 H44 H 5.26700 0.79800 0.76400 1.000 H45 H 4.63600 3.11100 -0.09800 1.000 H46 H 2.75300 4.66600 -0.38000 1.000 H47 H 1.90300 -0.14300 0.36200 1.000 H48 H 0.20700 -0.77700 0.43800 1.000 H49 H -6.95800 -2.41100 1.57400 1.000 H50 H -8.25200 -1.90100 0.46300 1.000 H51 H -5.08400 -4.02600 -1.11400 1.000 H52 H -5.06600 -3.68000 0.63200 1.000