# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9UA' 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 -3.86100 4.64400 0.42600 1.000 C1 C -4.55600 -2.28700 0.90800 1.000 C2 C -4.47700 -0.77500 1.15300 1.000 C3 C -3.43200 -0.18800 0.23700 1.000 C4 C -2.46600 -0.90800 -0.38700 1.000 C5 C -1.68600 -0.02600 -1.14000 1.000 C6 C -4.10700 2.22100 0.33200 1.000 C7 C -3.24000 3.33900 0.96100 1.000 C8 C -1.32800 -4.18300 1.75400 1.000 C9 C -4.74700 2.94800 -0.87800 1.000 C10 C -0.76800 -0.82200 -3.31600 1.000 C11 C 0.12900 -2.04700 -3.53400 1.000 C12 C -2.76200 -3.71800 1.76900 1.000 C13 C 1.58900 -1.62600 -3.36900 1.000 C14 C 1.78100 -0.88600 -2.07100 1.000 C15 C 0.71600 -0.29000 -1.41200 1.000 C16 C 0.92500 0.39400 -0.21800 1.000 C17 C 2.19200 0.48100 0.31800 1.000 C18 C 3.26400 -0.11800 -0.34000 1.000 C19 C 3.05300 -0.80000 -1.53400 1.000 C20 C 4.63100 -0.02900 0.23400 1.000 C21 C 5.01800 -0.42700 1.52900 1.000 C22 C 5.74200 0.44700 -0.39900 1.000 C23 C 8.15700 0.75700 0.19500 1.000 C24 C 2.41600 1.22300 1.61000 1.000 C25 C -2.31300 -2.40400 -0.25500 1.000 F26 F 3.61300 1.94300 1.53300 1.000 F27 F 1.35400 2.10700 1.83100 1.000 N28 N -2.17200 1.18400 -0.97600 1.000 N29 N -3.27400 1.10100 -0.11200 1.000 N30 N -0.58200 -0.37100 -1.93000 1.000 N31 N 6.29700 -0.19300 1.66000 1.000 N32 N 6.77400 0.35500 0.46400 1.000 N33 N -3.19400 -2.83800 0.84400 1.000 O34 O -4.99500 4.28000 -0.37800 1.000 O35 O -3.52600 -4.13500 2.61300 1.000 H36 H -4.18300 5.26900 1.25900 1.000 H37 H -3.13200 5.18000 -0.18200 1.000 H38 H -5.10300 -2.76000 1.72300 1.000 H39 H -5.07000 -2.47800 -0.03400 1.000 H40 H -5.44400 -0.32000 0.94200 1.000 H41 H -4.20000 -0.58700 2.19000 1.000 H42 H -4.87200 1.88200 1.03100 1.000 H43 H -2.20400 3.24700 0.63400 1.000 H44 H -3.30200 3.30400 2.04800 1.000 H45 H -0.77600 -3.63400 0.99100 1.000 H46 H -0.87700 -4.00300 2.73000 1.000 H47 H -1.29500 -5.25000 1.53000 1.000 H48 H -4.05400 2.97700 -1.71900 1.000 H49 H -5.68000 2.46400 -1.16700 1.000 H50 H -0.48100 -0.02700 -4.00400 1.000 H51 H -1.81000 -1.09300 -3.48000 1.000 H52 H -0.11500 -2.81400 -2.79900 1.000 H53 H -0.02600 -2.44000 -4.53900 1.000 H54 H 2.22200 -2.51400 -3.37300 1.000 H55 H 1.87300 -0.97800 -4.19800 1.000 H56 H 0.09200 0.85800 0.29000 1.000 H57 H 3.88500 -1.26400 -2.04300 1.000 H58 H 4.37000 -0.85000 2.28200 1.000 H59 H 5.78600 0.82700 -1.40900 1.000 H60 H 8.29300 1.80100 0.47600 1.000 H61 H 8.83700 0.13300 0.77500 1.000 H62 H 8.37100 0.63600 -0.86700 1.000 H63 H 2.47300 0.51000 2.43300 1.000 H64 H -2.61200 -2.89100 -1.18400 1.000 H65 H -1.27800 -2.65300 -0.02300 1.000