# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J4D' 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 4.40600 1.16200 0.80600 1.000 C1 C 5.51900 -0.62900 -0.34100 1.000 C2 C 3.24900 -0.08300 -0.89600 1.000 C3 C -3.99800 0.23200 0.16300 1.000 C4 C -3.84000 1.55900 -0.19500 1.000 C5 C -2.58200 2.13700 -0.17200 1.000 C6 C -1.47800 1.38000 0.21100 1.000 C7 C -1.64400 0.05000 0.56800 1.000 C8 C -2.90300 -0.52000 0.54300 1.000 O9 O -2.42500 3.44100 -0.52400 1.000 N10 N -0.20200 1.95900 0.23600 1.000 C11 C 0.89300 1.18300 0.11600 1.000 N12 N 2.12100 1.72500 0.25000 1.000 O13 O 0.77500 -0.00500 -0.11300 1.000 C14 C 3.26200 0.93300 0.05200 1.000 C15 C 5.53400 0.38300 0.60700 1.000 C16 C 4.37600 -0.86300 -1.08900 1.000 F17 F 2.13700 -0.30700 -1.63000 1.000 F18 F 4.36400 -1.85000 -2.01200 1.000 F19 F 6.62000 -1.38800 -0.53500 1.000 F20 F 6.64900 0.60900 1.33500 1.000 F21 F 4.42100 2.14800 1.72900 1.000 N22 N -5.01600 2.36100 -0.60100 1.000 O23 O -4.87700 3.52900 -0.91600 1.000 O24 O -6.12300 1.85200 -0.62100 1.000 S25 S -3.11300 -2.20800 1.00400 1.000 O26 O -2.00900 -2.53700 1.83600 1.000 O27 O -4.46600 -2.34500 1.41800 1.000 N28 N -2.95100 -3.11500 -0.37100 1.000 H29 H -4.98100 -0.21600 0.14900 1.000 H30 H -0.79000 -0.54000 0.86600 1.000 H31 H -2.50600 4.06100 0.21400 1.000 H32 H -0.10700 2.91900 0.33900 1.000 H33 H 2.21500 2.66200 0.48200 1.000 O34 O -2.51400 -4.25100 -0.30300 1.000 O35 O -3.26700 -2.64800 -1.45000 1.000