# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'F78' 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 3.67400 -0.75200 -0.17500 1.000 O1 O 3.76400 -1.40800 -1.19400 1.000 C2 C 4.89500 -0.26000 0.49800 1.000 C3 C 6.15200 -0.55300 -0.03200 1.000 C4 C 7.29200 -0.08400 0.60000 1.000 C5 C 7.18200 0.66500 1.76400 1.000 C6 C 5.93700 0.95100 2.29300 1.000 C7 C 4.79500 0.49400 1.66800 1.000 O8 O 8.51800 -0.36100 0.08400 1.000 N9 N -2.26000 0.45200 -0.50500 1.000 C10 C -3.12200 0.27300 0.66600 1.000 C11 C -4.24100 -0.71500 0.33100 1.000 C12 C -5.14100 -0.90100 1.55400 1.000 C13 C -1.16400 -0.48700 -0.75700 1.000 C14 C 0.07100 -0.05400 0.03500 1.000 O15 O -0.20000 -0.15700 1.43400 1.000 C16 C 1.25100 -0.96000 -0.32400 1.000 N17 N 2.46100 -0.47200 0.34300 1.000 C18 C 0.95500 -2.38800 0.13700 1.000 C19 C 3.16200 -3.51800 0.48200 1.000 C20 C 4.17600 -4.35700 0.05900 1.000 C21 C 4.08800 -4.98200 -1.17100 1.000 C22 C 2.98600 -4.76700 -1.97800 1.000 C23 C 1.97200 -3.92800 -1.55500 1.000 C24 C 2.06000 -3.30300 -0.32500 1.000 C25 C -6.24300 -1.87400 1.22300 1.000 C26 C -6.05900 -3.22700 1.44000 1.000 C27 C -7.07000 -4.12000 1.13700 1.000 C28 C -8.26500 -3.66000 0.61600 1.000 C29 C -8.44900 -2.30700 0.39900 1.000 C30 C -7.44000 -1.41400 0.70700 1.000 S31 S -2.52500 1.71400 -1.54300 1.000 O32 O -3.88900 2.08200 -1.38800 1.000 O33 O -1.96000 1.33400 -2.79000 1.000 C34 C -1.57200 3.07700 -0.96000 1.000 C35 C -0.27400 3.25200 -1.40400 1.000 C36 C -2.12400 3.97000 -0.06000 1.000 C37 C 0.47500 4.32000 -0.94900 1.000 C38 C -1.37700 5.03600 0.40300 1.000 C39 C -0.07600 5.21700 -0.04600 1.000 O40 O 0.65900 6.26800 0.40300 1.000 C41 C 0.02700 7.15200 1.33200 1.000 H42 H 6.23600 -1.14000 -0.93400 1.000 H43 H 8.07200 1.02600 2.25800 1.000 H44 H 5.85900 1.53500 3.19900 1.000 H45 H 3.82400 0.72000 2.08400 1.000 H46 H 8.90700 -1.18200 0.41400 1.000 H47 H -2.53200 -0.11500 1.49700 1.000 H48 H -3.55700 1.23300 0.94700 1.000 H49 H -4.83100 -0.32700 -0.49900 1.000 H50 H -3.80600 -1.67400 0.05000 1.000 H51 H -4.55100 -1.28900 2.38400 1.000 H52 H -5.57600 0.05800 1.83400 1.000 H53 H -1.46300 -1.48700 -0.44500 1.000 H54 H -0.92900 -0.49300 -1.82100 1.000 H55 H 0.31700 0.97900 -0.21200 1.000 H56 H -0.42700 -1.05000 1.72600 1.000 H57 H 1.40100 -0.94900 -1.40300 1.000 H58 H 2.38900 0.05200 1.15600 1.000 H59 H 0.89200 -2.41400 1.22400 1.000 H60 H 0.00800 -2.71900 -0.29000 1.000 H61 H 3.22800 -3.03400 1.44500 1.000 H62 H 5.03700 -4.52400 0.68900 1.000 H63 H 4.88000 -5.63600 -1.50200 1.000 H64 H 2.91700 -5.25400 -2.93900 1.000 H65 H 1.11100 -3.76000 -2.18500 1.000 H66 H -5.12600 -3.58600 1.84700 1.000 H67 H -6.92600 -5.17600 1.30600 1.000 H68 H -9.05400 -4.35700 0.37800 1.000 H69 H -9.38300 -1.94700 -0.00800 1.000 H70 H -7.58500 -0.35600 0.54100 1.000 H71 H 0.15400 2.55300 -2.10800 1.000 H72 H -3.13800 3.83200 0.28400 1.000 H73 H 1.48800 4.45600 -1.29700 1.000 H74 H -1.80600 5.73100 1.10900 1.000 H75 H 0.72100 7.94500 1.61000 1.000 H76 H -0.85900 7.58900 0.87300 1.000 H77 H -0.26300 6.59500 2.22400 1.000