# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9UD' 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 3.40400 -0.15900 0.39400 1.000 C1 C 3.26700 0.41100 1.65700 1.000 C2 C 2.01300 0.58000 2.21200 1.000 N3 N 6.43100 -0.19100 -1.61400 1.000 C4 C 0.88800 0.18200 1.50300 1.000 C5 C 1.02200 -0.38900 0.24100 1.000 N6 N -0.39400 0.34900 2.04100 1.000 C7 C 2.27200 -0.56000 -0.31300 1.000 C8 C 2.41500 -1.18000 -1.67900 1.000 C9 C -0.53000 0.66400 3.46900 1.000 C10 C 0.49800 1.75100 3.80900 1.000 N11 N -2.24800 -0.87200 1.07600 1.000 C12 C 1.90200 1.19100 3.58500 1.000 C13 C -1.52800 0.21800 1.23000 1.000 C14 C -4.32600 -1.52300 -0.25900 1.000 N15 N -3.29100 -0.58600 0.18400 1.000 N16 N 6.83700 -0.93700 -0.50100 1.000 C17 C 8.16100 -1.52900 -0.29900 1.000 O18 O -5.46800 -4.13200 -0.18600 1.000 C19 C 5.79700 -1.01500 0.35500 1.000 C20 C -5.11400 -2.03000 0.95200 1.000 C21 C -6.14000 -3.06600 0.48700 1.000 C22 C -4.75300 -3.72500 -1.35500 1.000 C23 C -3.67100 -2.71500 -0.96400 1.000 C24 C 4.75300 -0.33500 -0.20000 1.000 C25 C -3.17500 0.70000 -0.19400 1.000 C26 C -2.09500 1.22200 0.44000 1.000 C27 C -1.63700 2.65200 0.28400 1.000 C28 C -3.83000 2.96700 -0.93600 1.000 C29 C -4.05700 1.46500 -1.14800 1.000 C30 C -1.76300 3.97900 -1.77800 1.000 C31 C -0.30800 4.33500 -1.60700 1.000 C32 C 5.18800 0.17100 -1.44100 1.000 F33 F 3.50600 -2.05600 -1.68200 1.000 F34 F 1.24900 -1.88500 -1.99500 1.000 N35 N -2.38600 3.22900 -0.84700 1.000 O36 O -2.37200 4.36800 -2.75100 1.000 H37 H 4.14500 0.72100 2.20500 1.000 H38 H 0.14400 -0.69900 -0.30500 1.000 H39 H 2.57700 -0.39500 -2.41900 1.000 H40 H -1.53600 1.03100 3.67200 1.000 H41 H -0.33600 -0.22800 4.06400 1.000 H42 H 0.34200 2.61600 3.16400 1.000 H43 H 0.38300 2.04800 4.85200 1.000 H44 H 2.10900 0.42900 4.33600 1.000 H45 H 2.63000 1.99700 3.68000 1.000 H46 H -5.00300 -1.01900 -0.94900 1.000 H47 H 8.80500 -0.81400 0.21300 1.000 H48 H 8.06800 -2.43100 0.30500 1.000 H49 H 8.59600 -1.78300 -1.26600 1.000 H50 H 5.79200 -1.52400 1.30800 1.000 H51 H -4.42900 -2.49000 1.66500 1.000 H52 H -5.62900 -1.19500 1.42800 1.000 H53 H -6.84900 -2.59500 -0.19400 1.000 H54 H -6.67400 -3.46200 1.35100 1.000 H55 H -4.28800 -4.59500 -1.81800 1.000 H56 H -5.44400 -3.26300 -2.06100 1.000 H57 H -3.15400 -2.37000 -1.85900 1.000 H58 H -2.95700 -3.18900 -0.29000 1.000 H59 H -1.85100 3.21200 1.19400 1.000 H60 H -0.56800 2.67800 0.07300 1.000 H61 H -4.25100 3.52100 -1.77500 1.000 H62 H -4.31600 3.28100 -0.01200 1.000 H63 H -3.80300 1.19900 -2.17400 1.000 H64 H -5.10200 1.22200 -0.95400 1.000 H65 H 0.07700 3.86600 -0.70200 1.000 H66 H 0.25600 3.98000 -2.47000 1.000 H67 H -0.20600 5.41700 -1.52800 1.000 H68 H 4.59600 0.75700 -2.12900 1.000