# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9U4' 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 -4.77900 -2.77400 0.76300 1.000 C1 C -4.27000 2.55400 -0.47100 1.000 C2 C -4.29000 1.07500 -0.87600 1.000 C3 C -3.28000 0.32800 -0.04100 1.000 C4 C -2.26600 0.91500 0.64400 1.000 C5 C -1.54000 -0.09000 1.29000 1.000 C6 C -4.10900 -2.01000 -0.38300 1.000 N7 N -1.08700 4.28400 -1.15500 1.000 C8 C -2.39300 3.95200 -1.19800 1.000 C9 C -0.58400 5.38600 -1.97900 1.000 C10 C -5.66300 -3.88000 0.18000 1.000 C11 C -4.25300 -4.09300 -1.74900 1.000 C12 C -3.31300 -2.99600 -1.24300 1.000 C13 C -0.55900 0.41200 3.52500 1.000 C14 C 0.41800 1.54700 3.85800 1.000 C15 C 1.84600 1.05200 3.63200 1.000 C16 C 1.98200 0.44100 2.26200 1.000 C17 C 0.87600 -0.01000 1.55700 1.000 C18 C 1.03300 -0.57500 0.29500 1.000 C19 C 2.28800 -0.68700 -0.26400 1.000 C20 C 3.40100 -0.23200 0.44000 1.000 C21 C 3.24200 0.33100 1.70300 1.000 C22 C 4.75600 -0.34900 -0.15600 1.000 C23 C 5.16800 0.17800 -1.39600 1.000 C24 C 5.83000 -0.97900 0.40000 1.000 C25 C 8.21400 -1.38900 -0.25700 1.000 C26 C 2.45500 -1.29900 -1.63000 1.000 C27 C -2.01900 2.40400 0.67000 1.000 F28 F 2.81300 -0.30400 -2.54600 1.000 F29 F 3.45800 -2.27400 -1.58500 1.000 N30 N -2.10400 -1.24300 1.00400 1.000 N31 N -3.20300 -0.99800 0.16800 1.000 N32 N -0.41200 0.09800 2.09700 1.000 N33 N 6.42500 -0.13100 -1.57100 1.000 N34 N 6.86400 -0.85700 -0.45800 1.000 N35 N -2.87500 3.00800 -0.36600 1.000 O36 O -4.86700 -4.74400 -0.63400 1.000 O37 O -3.13500 4.50500 -1.98600 1.000 H38 H -4.01500 -3.21700 1.40200 1.000 H39 H -5.39200 -2.08900 1.34900 1.000 H40 H -4.79000 3.14500 -1.22500 1.000 H41 H -4.76600 2.67400 0.49300 1.000 H42 H -5.28300 0.66100 -0.70300 1.000 H43 H -4.03200 0.98100 -1.93100 1.000 H44 H -4.87100 -1.52500 -0.99300 1.000 H45 H -0.48000 3.79200 -0.58000 1.000 H46 H -1.09800 6.30700 -1.70600 1.000 H47 H 0.48700 5.50500 -1.81200 1.000 H48 H -0.76600 5.16600 -3.03100 1.000 H49 H -6.10900 -4.45500 0.99100 1.000 H50 H -6.45100 -3.43400 -0.42600 1.000 H51 H -5.02300 -3.65000 -2.38000 1.000 H52 H -3.68400 -4.82200 -2.32600 1.000 H53 H -2.87700 -2.47000 -2.09200 1.000 H54 H -2.51900 -3.44300 -0.64500 1.000 H55 H -0.32100 -0.46700 4.12300 1.000 H56 H -1.58100 0.73200 3.72800 1.000 H57 H 0.22000 2.40100 3.21000 1.000 H58 H 0.29400 1.84200 4.90000 1.000 H59 H 2.53600 1.89100 3.72100 1.000 H60 H 2.09100 0.30400 4.38600 1.000 H61 H 0.16800 -0.92700 -0.24900 1.000 H62 H 4.10500 0.68300 2.24800 1.000 H63 H 4.55000 0.73800 -2.08300 1.000 H64 H 5.84900 -1.48500 1.35400 1.000 H65 H 8.27200 -2.39800 -0.66700 1.000 H66 H 8.93600 -0.74900 -0.76400 1.000 H67 H 8.43900 -1.41700 0.80900 1.000 H68 H 1.51700 -1.75800 -1.94100 1.000 H69 H -2.28000 2.80700 1.64900 1.000 H70 H -0.97100 2.61000 0.45300 1.000