# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FRI' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.86200 -2.55100 5.63400 1.000 C1 C -1.39800 -1.46700 5.54600 1.000 C2 C -0.98400 -0.34500 6.46300 1.000 N3 N 0.07300 -0.81300 7.36100 1.000 C4 C 0.60200 0.02400 8.27400 1.000 O5 O 0.20200 1.16700 8.35200 1.000 C6 C 1.69100 -0.45700 9.19800 1.000 C7 C 3.05500 -0.20500 8.55300 1.000 C8 C 4.15400 -0.80100 9.43600 1.000 C9 C 4.00900 -2.32300 9.47400 1.000 C10 C 5.52400 -0.43300 8.86300 1.000 N11 N 1.61000 0.26800 10.46800 1.000 C12 C 1.84600 1.62200 10.50300 1.000 N13 N 2.14100 2.26000 9.40500 1.000 N14 N 1.77000 2.30300 11.69500 1.000 N15 N -2.36400 -1.26500 4.62800 1.000 C16 C -3.02700 0.04000 4.51300 1.000 C17 C -2.92700 0.51200 3.05500 1.000 C18 C -3.50200 -0.56700 2.13500 1.000 C19 C -2.68600 -1.85300 2.28200 1.000 C20 C -2.77900 -2.35000 3.72800 1.000 C21 C -3.44000 -0.09300 0.70500 1.000 N22 N -4.40300 0.59300 0.05400 1.000 C23 C -5.68900 1.01400 0.61700 1.000 N24 N -3.95600 0.84200 -1.24900 1.000 C25 C -2.41400 -0.28700 -0.15100 1.000 C26 C -2.75900 0.31000 -1.37900 1.000 C27 C -1.92000 0.33700 -2.60300 1.000 C28 C -2.50600 0.16200 -3.85500 1.000 C29 C -1.72500 0.18800 -4.99100 1.000 C30 C -0.35500 0.38600 -4.89000 1.000 C31 C 0.23300 0.56100 -3.64400 1.000 C32 C -0.54400 0.54200 -2.50300 1.000 Cl33 Cl 0.19000 0.76000 -0.94600 1.000 Cl34 Cl 1.94700 0.81000 -3.52200 1.000 O35 O 0.41100 0.41000 -6.01200 1.000 C36 C -0.46900 0.20500 -7.11800 1.000 C37 C 0.32200 0.22100 -8.40000 1.000 C38 C 0.51500 1.41100 -9.07800 1.000 C39 C 1.24400 1.42900 -10.25000 1.000 C40 C 1.77600 0.24900 -10.75400 1.000 C41 C 1.57600 -0.94400 -10.07400 1.000 C42 C 0.85000 -0.95500 -8.90000 1.000 N43 N 2.51000 0.26400 -11.94500 1.000 C44 C 2.44000 -0.78100 -12.79300 1.000 O45 O 1.66400 -1.68700 -12.57500 1.000 C46 C 3.32700 -0.82400 -14.01100 1.000 H47 H -1.84300 -0.02000 7.05100 1.000 H48 H -0.61300 0.49000 5.86900 1.000 H49 H 0.39300 -1.72700 7.29800 1.000 H50 H 1.56600 -1.52400 9.38100 1.000 H51 H 3.21600 0.86700 8.44800 1.000 H52 H 3.08500 -0.67500 7.57000 1.000 H53 H 4.06400 -0.40200 10.44600 1.000 H54 H 4.79200 -2.74700 10.10200 1.000 H55 H 3.03300 -2.58500 9.88200 1.000 H56 H 4.09900 -2.72200 8.46300 1.000 H57 H 5.64900 -0.90500 7.88900 1.000 H58 H 5.59400 0.64900 8.75400 1.000 H59 H 6.30600 -0.78000 9.53800 1.000 H60 H 1.39000 -0.20600 11.28500 1.000 H61 H 2.30800 3.21600 9.42900 1.000 H62 H 1.93600 3.25800 11.71900 1.000 H63 H 1.55000 1.82800 12.51100 1.000 H64 H -4.07600 -0.04900 4.79700 1.000 H65 H -2.53100 0.75900 5.16500 1.000 H66 H -1.88300 0.69000 2.79800 1.000 H67 H -3.49500 1.43400 2.93200 1.000 H68 H -4.53900 -0.76200 2.40800 1.000 H69 H -1.64300 -1.65200 2.03200 1.000 H70 H -3.08100 -2.61400 1.60900 1.000 H71 H -2.12100 -3.20800 3.86200 1.000 H72 H -3.80700 -2.63600 3.95000 1.000 H73 H -6.43300 0.23700 0.44200 1.000 H74 H -5.58000 1.17700 1.68900 1.000 H75 H -6.01000 1.93900 0.13800 1.000 H76 H -1.49300 -0.80800 0.06600 1.000 H77 H -3.57200 0.00700 -3.93500 1.000 H78 H -2.18000 0.05200 -5.96100 1.000 H79 H -1.21400 1.00100 -7.14200 1.000 H80 H -0.96900 -0.75700 -7.01200 1.000 H81 H 0.10200 2.32800 -8.68500 1.000 H82 H 1.39800 2.36000 -10.77700 1.000 H83 H 1.98800 -1.86300 -10.46400 1.000 H84 H 0.69400 -1.88300 -8.37000 1.000 H85 H 3.07000 1.02600 -12.16100 1.000 H86 H 3.13000 -1.73800 -14.57100 1.000 H87 H 3.12000 0.04000 -14.64200 1.000 H88 H 4.37100 -0.80600 -13.70100 1.000