# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FR1' 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 -4.22200 -0.34500 -0.10900 1.000 C1 C -5.45900 0.25900 -0.03400 1.000 C2 C -6.61800 -0.51500 -0.10700 1.000 C3 C -7.94700 0.13300 -0.02200 1.000 N4 N -8.03600 1.46900 0.12800 1.000 O5 O -8.95600 -0.54000 -0.08600 1.000 C6 C -6.52500 -1.89800 -0.26200 1.000 C7 C -5.28800 -2.50100 -0.34300 1.000 C8 C -4.12900 -1.72800 -0.26900 1.000 C9 C -2.80100 -2.37500 -0.35600 1.000 O10 O -2.72000 -3.58000 -0.49100 1.000 N11 N -1.68100 -1.62800 -0.28500 1.000 C12 C -0.36600 -2.26900 -0.37100 1.000 C13 C 0.02000 -2.44600 -1.84100 1.000 C14 C 0.04100 -1.08000 -2.53000 1.000 C15 C 1.40800 -3.08300 -1.93100 1.000 C16 C 0.65900 -1.40600 0.31800 1.000 O17 O 0.54300 -0.19900 0.30500 1.000 N18 N 1.70500 -1.97600 0.94900 1.000 C19 C 2.81300 -1.25600 1.59300 1.000 C20 C 3.75400 -2.31500 2.20500 1.000 C21 C 2.83400 -3.55600 2.35300 1.000 C22 C 1.93100 -3.42500 1.10100 1.000 C23 C 3.56100 -0.43000 0.57800 1.000 O24 O 3.20500 -0.42800 -0.58200 1.000 N25 N 4.62500 0.30400 0.95900 1.000 C26 C 5.35200 1.10600 -0.02800 1.000 C27 C 4.66100 2.46100 -0.19400 1.000 C28 C 4.76000 3.24700 1.11500 1.000 C29 C 5.34300 3.24800 -1.31400 1.000 C30 C 6.76800 1.31900 0.44200 1.000 O31 O 7.02400 1.28500 1.62200 1.000 C32 C 7.86400 1.57400 -0.56000 1.000 F33 F 8.89100 0.64200 -0.37500 1.000 F34 F 7.35000 1.45000 -1.85500 1.000 F35 F 8.36900 2.86600 -0.38000 1.000 C36 C -9.35100 2.11000 0.21300 1.000 C37 C -9.17500 3.59800 0.37700 1.000 O38 O -8.06500 4.07400 0.41900 1.000 O39 O -10.25100 4.39400 0.47700 1.000 H40 H -3.32500 0.25400 -0.05100 1.000 H41 H -5.53100 1.33000 0.08600 1.000 H42 H -7.23000 2.00700 0.18000 1.000 H43 H -7.42200 -2.49700 -0.32000 1.000 H44 H -5.21600 -3.57200 -0.46300 1.000 H45 H -1.74600 -0.66700 -0.17800 1.000 H46 H -0.40500 -3.24500 0.11400 1.000 H47 H -0.70800 -3.09000 -2.33400 1.000 H48 H 0.31600 -1.20500 -3.57700 1.000 H49 H -0.94700 -0.62500 -2.46600 1.000 H50 H 0.77000 -0.43500 -2.03800 1.000 H51 H 2.15000 -2.39700 -1.52400 1.000 H52 H 1.41900 -4.01100 -1.35900 1.000 H53 H 1.64300 -3.29700 -2.97300 1.000 H54 H 2.42100 -0.61000 2.37900 1.000 H55 H 4.12300 -1.99000 3.17800 1.000 H56 H 4.58100 -2.52700 1.52800 1.000 H57 H 2.24400 -3.49800 3.26800 1.000 H58 H 3.41400 -4.47800 2.32100 1.000 H59 H 0.98500 -3.94200 1.26000 1.000 H60 H 2.44000 -3.82400 0.22300 1.000 H61 H 4.90900 0.30200 1.88600 1.000 H62 H 5.36100 0.58400 -0.98500 1.000 H63 H 3.61200 2.30500 -0.44500 1.000 H64 H 5.80900 3.40300 1.36700 1.000 H65 H 4.26700 4.21200 0.99800 1.000 H66 H 4.27400 2.68600 1.91400 1.000 H67 H 5.33900 2.65600 -2.22900 1.000 H68 H 4.80500 4.18100 -1.48300 1.000 H69 H 6.37100 3.46900 -1.02900 1.000 H70 H -9.91300 1.90900 -0.69900 1.000 H71 H -9.89500 1.71200 1.07000 1.000 H72 H -10.13800 5.34900 0.58200 1.000