# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90D' 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 3.60200 4.51000 -0.73600 1.000 C1 C 3.27000 3.10500 -1.24400 1.000 C2 C 1.77600 2.90900 -1.23700 1.000 C3 C 1.03100 3.23800 -2.35400 1.000 C4 C -0.34100 3.06100 -2.35500 1.000 C5 C -0.97400 2.55300 -1.23800 1.000 C6 C -0.22800 2.21900 -0.10900 1.000 C7 C 1.15400 2.39500 -0.11600 1.000 C8 C -0.90300 1.67300 1.09400 1.000 C9 C -1.12600 2.49000 2.20300 1.000 F10 F -0.72700 3.78000 2.18500 1.000 C11 C -1.75500 1.97400 3.32100 1.000 C12 C -2.16400 0.65300 3.33900 1.000 C13 C -1.94400 -0.16000 2.24200 1.000 C14 C -1.32200 0.34500 1.11800 1.000 C15 C -1.09000 -0.54200 -0.07800 1.000 O16 O -0.96400 0.26400 -1.25100 1.000 C17 C -2.27200 -1.49900 -0.24100 1.000 C18 C -3.55600 -0.69200 -0.44500 1.000 C19 C -4.73900 -1.64900 -0.60800 1.000 N20 N -5.96900 -0.87700 -0.80300 1.000 C21 C -7.14500 -1.51300 -0.97000 1.000 O22 O -7.18600 -2.72800 -0.95800 1.000 O23 O -8.27500 -0.80300 -1.15000 1.000 C24 C -9.50500 -1.55500 -1.32200 1.000 C25 C 0.19400 -1.34900 0.12600 1.000 C26 C 0.03600 -2.26200 1.34400 1.000 C27 C 1.30700 -3.09300 1.53000 1.000 C28 C 2.49300 -2.15600 1.77900 1.000 N29 N 2.56400 -1.18100 0.68200 1.000 C30 C 1.36800 -0.39200 0.35900 1.000 C31 C 3.70600 -1.01300 -0.01400 1.000 O32 O 3.75200 -0.20500 -0.91800 1.000 C33 C 4.92500 -1.83000 0.32900 1.000 C34 C 6.07400 -1.44800 -0.60600 1.000 C35 C 7.31200 -2.27700 -0.25800 1.000 N36 N 8.41500 -1.91000 -1.15500 1.000 C37 C 9.62300 -2.68800 -0.85000 1.000 H38 H 3.22500 4.62800 0.28000 1.000 H39 H 4.68300 4.65200 -0.74100 1.000 H40 H 3.13600 5.25100 -1.38500 1.000 H41 H 3.64700 2.98700 -2.26000 1.000 H42 H 3.73700 2.36400 -0.59500 1.000 H43 H 1.52300 3.63600 -3.23000 1.000 H44 H -0.91700 3.32000 -3.23000 1.000 H45 H -2.04500 2.41500 -1.24000 1.000 H46 H 1.73700 2.13400 0.75400 1.000 H47 H -1.92900 2.60400 4.18100 1.000 H48 H -2.65500 0.25400 4.21400 1.000 H49 H -2.26500 -1.19100 2.26300 1.000 H50 H -0.81300 -0.24100 -2.06200 1.000 H51 H -2.10500 -2.14000 -1.10600 1.000 H52 H -2.36800 -2.11400 0.65400 1.000 H53 H -3.72400 -0.05100 0.42000 1.000 H54 H -3.46100 -0.07700 -1.34000 1.000 H55 H -4.57100 -2.29000 -1.47300 1.000 H56 H -4.83500 -2.26400 0.28700 1.000 H57 H -5.93600 0.09300 -0.81300 1.000 H58 H -9.41900 -2.19600 -2.20000 1.000 H59 H -9.68200 -2.17000 -0.44000 1.000 H60 H -10.33700 -0.86400 -1.45700 1.000 H61 H 0.38900 -1.95400 -0.76000 1.000 H62 H -0.13400 -1.65500 2.23300 1.000 H63 H -0.81400 -2.92700 1.19000 1.000 H64 H 1.18500 -3.76000 2.38300 1.000 H65 H 1.49200 -3.68200 0.63100 1.000 H66 H 2.35200 -1.63200 2.72500 1.000 H67 H 3.41600 -2.73500 1.81400 1.000 H68 H 1.54800 0.19300 -0.54300 1.000 H69 H 1.13500 0.27600 1.18900 1.000 H70 H 5.21500 -1.63300 1.36100 1.000 H71 H 4.69700 -2.88900 0.21000 1.000 H72 H 5.78400 -1.64400 -1.63800 1.000 H73 H 6.30200 -0.38800 -0.48800 1.000 H74 H 7.60200 -2.08100 0.77400 1.000 H75 H 7.08400 -3.33600 -0.37600 1.000 H76 H 8.60300 -0.92000 -1.11200 1.000 H77 H 10.42500 -2.39700 -1.52900 1.000 H78 H 9.93000 -2.49500 0.17800 1.000 H79 H 9.41200 -3.75000 -0.97200 1.000