# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '001' 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 0.48400 -0.00600 -3.05300 1.000 C1 C 0.57900 1.36300 -3.21300 1.000 C2 C 1.68900 1.91600 -3.83300 1.000 C3 C 2.70500 1.09000 -4.30000 1.000 C4 C 2.60900 -0.28600 -4.13200 1.000 C5 C 1.49500 -0.83100 -3.51000 1.000 O6 O 1.78100 3.26400 -3.99000 1.000 C7 C 0.59700 3.82700 -3.42200 1.000 O8 O 3.79600 1.62900 -4.91000 1.000 C9 C 3.50100 1.68800 -6.30700 1.000 O10 O 3.60300 -1.09800 -4.58200 1.000 C11 C 3.21400 -2.43800 -4.27200 1.000 C12 C -0.72400 -0.60300 -2.37800 1.000 F13 F -1.83700 0.21100 -2.61000 1.000 F14 F -0.96400 -1.88000 -2.89400 1.000 C15 C -0.47300 -0.70000 -0.89500 1.000 O16 O -0.82500 0.19900 -0.16000 1.000 N17 N 0.14200 -1.78500 -0.38500 1.000 C18 C 0.65800 -2.83800 -1.27000 1.000 C19 C 2.13500 -3.07700 -0.94100 1.000 C20 C 2.27900 -3.38500 0.55100 1.000 C21 C 1.79000 -2.18700 1.36900 1.000 C22 C 0.31400 -1.93500 1.06700 1.000 C23 C -0.13800 -0.67900 1.76600 1.000 O24 O 0.48300 0.34800 1.62400 1.000 O25 O -1.23000 -0.70000 2.54600 1.000 C26 C -1.66500 0.51000 3.22000 1.000 C27 C -0.99800 0.59700 4.59500 1.000 C28 C 0.52200 0.62700 4.42300 1.000 C29 C 1.18900 0.71300 5.79700 1.000 C30 C 2.68700 0.74300 5.62800 1.000 C31 C 3.41300 -0.43300 5.61500 1.000 N32 N 4.72200 -0.41500 5.46200 1.000 C33 C 5.38900 0.71400 5.32700 1.000 C34 C 4.73100 1.92900 5.33500 1.000 C35 C 3.35400 1.95000 5.48900 1.000 C36 C -3.18500 0.48000 3.39200 1.000 C37 C -3.85200 0.39400 2.01800 1.000 C38 C -5.37200 0.36400 2.18900 1.000 C39 C -6.02800 0.27800 0.83600 1.000 C40 C -6.29900 -0.95600 0.27600 1.000 C41 C -6.90200 -1.03400 -0.96600 1.000 C42 C -7.23400 0.12200 -1.64700 1.000 C43 C -6.96400 1.35700 -1.08700 1.000 C44 C -6.36500 1.43500 0.15700 1.000 H45 H -0.21300 2.00400 -2.85400 1.000 H46 H 1.41800 -1.90100 -3.38300 1.000 H47 H 0.62600 4.91200 -3.52400 1.000 H48 H -0.27700 3.43600 -3.94200 1.000 H49 H 0.54000 3.56400 -2.36600 1.000 H50 H 4.35100 2.11500 -6.84000 1.000 H51 H 3.30600 0.68200 -6.68000 1.000 H52 H 2.62100 2.31200 -6.46600 1.000 H53 H 3.98400 -3.12800 -4.61600 1.000 H54 H 3.08900 -2.54000 -3.19500 1.000 H55 H 2.27200 -2.66700 -4.77000 1.000 H56 H 0.09500 -3.75700 -1.11100 1.000 H57 H 0.56100 -2.52200 -2.30800 1.000 H58 H 2.50500 -3.92100 -1.52400 1.000 H59 H 2.71200 -2.18500 -1.18600 1.000 H60 H 1.68200 -4.26200 0.80000 1.000 H61 H 3.32500 -3.58000 0.78300 1.000 H62 H 1.91400 -2.39800 2.43200 1.000 H63 H 2.36900 -1.30400 1.10300 1.000 H64 H -0.28000 -2.78000 1.41400 1.000 H65 H -1.38300 1.37900 2.62500 1.000 H66 H -1.32400 1.50500 5.10000 1.000 H67 H -1.27900 -0.27200 5.19000 1.000 H68 H 0.84900 -0.28200 3.91700 1.000 H69 H 0.80400 1.49500 3.82700 1.000 H70 H 0.86300 1.62200 6.30300 1.000 H71 H 0.90800 -0.15500 6.39300 1.000 H72 H 2.90100 -1.37800 5.72300 1.000 H73 H 6.46300 0.68900 5.20700 1.000 H74 H 5.28300 2.85100 5.22400 1.000 H75 H 2.81300 2.88500 5.49900 1.000 H76 H -3.46600 -0.38800 3.98800 1.000 H77 H -3.51100 1.38900 3.89800 1.000 H78 H -3.57000 1.26200 1.42200 1.000 H79 H -3.52500 -0.51500 1.51200 1.000 H80 H -5.65300 -0.50500 2.78500 1.000 H81 H -5.69800 1.27200 2.69500 1.000 H82 H -6.04000 -1.85900 0.80800 1.000 H83 H -7.11300 -1.99800 -1.40400 1.000 H84 H -7.70400 0.06100 -2.61800 1.000 H85 H -7.22300 2.26000 -1.61900 1.000 H86 H -6.15400 2.39900 0.59500 1.000