# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J4S' 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 -3.14800 -0.32600 0.19900 1.000 C1 C -2.42200 0.82600 -0.34100 1.000 C2 C -2.75100 2.05200 0.47000 1.000 O3 O -3.51700 1.97200 1.40800 1.000 C4 C 1.23500 0.71100 -1.26500 1.000 C5 C -0.12300 0.95000 -1.32100 1.000 C6 C -0.94000 0.56200 -0.27400 1.000 C7 C -0.40100 -0.06700 0.83400 1.000 C8 C 0.95600 -0.31100 0.90100 1.000 C9 C 1.78200 0.07200 -0.15400 1.000 C10 C 3.24200 -0.18800 -0.08800 1.000 C11 C 3.78800 -0.82600 1.02300 1.000 C12 C 5.14800 -1.06600 1.08100 1.000 C13 C 5.96800 -0.67300 0.03500 1.000 C14 C 5.42800 -0.03800 -1.07300 1.000 C15 C 4.06800 0.20100 -1.14000 1.000 C16 C -4.41400 -0.57000 -0.19400 1.000 C17 C -5.15800 -1.75900 0.35700 1.000 C18 C -6.56300 -1.80600 -0.24700 1.000 C19 C -7.52100 -2.87900 0.27400 1.000 C20 C -6.91500 -3.00900 -1.12500 1.000 F21 F 6.23100 0.34300 -2.09100 1.000 F22 F 7.29700 -0.91000 0.09500 1.000 F23 F 5.67800 -1.68500 2.15900 1.000 N24 N -2.19500 3.23900 0.15400 1.000 O25 O -4.95300 0.16700 -0.99200 1.000 O26 O -2.50400 4.39100 0.91700 1.000 H27 H -2.71600 -0.91600 0.83700 1.000 H28 H -2.71600 0.98700 -1.37800 1.000 H29 H 1.87200 1.01500 -2.08200 1.000 H30 H -0.54900 1.44200 -2.18300 1.000 H31 H -1.04300 -0.36700 1.64900 1.000 H32 H 1.37500 -0.80200 1.76600 1.000 H33 H 3.15000 -1.13200 1.83900 1.000 H34 H 3.64800 0.69500 -2.00400 1.000 H35 H -4.62200 -2.67400 0.10200 1.000 H36 H -5.23200 -1.67100 1.44100 1.000 H37 H -6.98900 -0.84100 -0.52200 1.000 H38 H -7.15000 -3.55200 1.04800 1.000 H39 H -8.57800 -2.62000 0.34300 1.000 H40 H -7.57200 -2.83500 -1.97700 1.000 H41 H -6.14500 -3.76700 -1.27200 1.000 H42 H -1.58300 3.30300 -0.59500 1.000 H43 H -2.05800 5.19400 0.61500 1.000