# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9U8' 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 -6.23500 -0.97900 -1.04400 1.000 C1 C 6.95400 -3.42300 -1.40300 1.000 C2 C -5.98600 -1.34700 0.42000 1.000 C3 C -4.71300 -2.19200 0.52100 1.000 O4 O -8.14700 0.07500 -0.15800 1.000 N5 N 1.84900 0.96400 0.50900 1.000 C6 C -9.47400 1.43200 -3.81800 1.000 C7 C -9.15900 1.02600 -2.37700 1.000 O8 O -7.92600 0.25900 -2.34900 1.000 C9 C -7.50600 -0.17600 -1.15100 1.000 C10 C -5.06200 -0.14800 -1.56900 1.000 C11 C -3.77700 -0.97900 -1.49100 1.000 N12 N -3.60800 -1.45900 -0.11300 1.000 C13 C -2.46100 -1.23100 0.55800 1.000 O14 O -2.36700 -1.54900 1.72700 1.000 N15 N -1.41800 -0.65100 -0.06900 1.000 C16 C -0.13500 -0.50900 0.62300 1.000 C17 C 0.67500 -1.79700 0.46500 1.000 C18 C -0.03400 -2.92600 1.16700 1.000 C19 C 0.23500 -3.18800 2.49800 1.000 C20 C -0.41700 -4.21900 3.14600 1.000 C21 C -1.34300 -4.99200 2.46000 1.000 O22 O -1.98600 -6.00600 3.09500 1.000 C23 C -1.61100 -4.72700 1.12500 1.000 C24 C -0.95600 -3.69500 0.48100 1.000 C25 C 0.63200 0.64400 0.02800 1.000 O26 O 0.15400 1.28300 -0.88500 1.000 C27 C 2.59500 2.08400 -0.07000 1.000 C28 C 2.15100 3.38900 0.59400 1.000 C29 C 0.68400 3.66100 0.25500 1.000 C30 C 0.24700 4.94600 0.90900 1.000 C31 C 0.38500 6.14600 0.23500 1.000 C32 C -0.01600 7.32500 0.83500 1.000 C33 C -0.55400 7.30500 2.10800 1.000 C34 C -0.69200 6.10500 2.78100 1.000 C35 C -0.29700 4.92500 2.17900 1.000 C36 C 4.09200 1.87600 0.16500 1.000 C37 C 4.56200 0.63800 -0.60200 1.000 S38 S 6.33700 0.39100 -0.32300 1.000 O39 O 7.08800 1.42600 -0.94300 1.000 O40 O 6.58300 0.01500 1.02500 1.000 C41 C 6.73200 -1.05100 -1.25500 1.000 N42 N 7.11200 -0.93000 -2.51200 1.000 C43 C 7.41800 -1.98100 -3.24800 1.000 C44 C 7.34900 -3.25700 -2.72100 1.000 C45 C 6.64000 -2.29500 -0.66100 1.000 H46 H -6.32900 -1.88900 -1.63700 1.000 H47 H 6.88700 -4.40900 -0.96600 1.000 H48 H -5.86700 -0.43800 1.00900 1.000 H49 H -6.83300 -1.91900 0.80000 1.000 H50 H -4.47600 -2.37400 1.56900 1.000 H51 H -4.86200 -3.14200 0.00800 1.000 H52 H 2.23200 0.45200 1.23900 1.000 H53 H -8.65900 2.04000 -4.21100 1.000 H54 H -9.58900 0.53800 -4.43100 1.000 H55 H -10.40000 2.00800 -3.83900 1.000 H56 H -9.04400 1.92000 -1.76400 1.000 H57 H -9.97400 0.41800 -1.98400 1.000 H58 H -5.25100 0.13400 -2.60500 1.000 H59 H -4.95200 0.75000 -0.96200 1.000 H60 H -3.85100 -1.83000 -2.16800 1.000 H61 H -2.92400 -0.36000 -1.77000 1.000 H62 H -1.51800 -0.32700 -0.97800 1.000 H63 H -0.31200 -0.31900 1.68200 1.000 H64 H 0.77700 -2.03400 -0.59400 1.000 H65 H 1.66400 -1.66000 0.90300 1.000 H66 H 0.95600 -2.58500 3.03200 1.000 H67 H -0.20700 -4.42300 4.18500 1.000 H68 H -2.81500 -5.74300 3.51800 1.000 H69 H -2.33100 -5.32700 0.58900 1.000 H70 H -1.16700 -3.48600 -0.55700 1.000 H71 H 2.39900 2.13600 -1.14100 1.000 H72 H 2.26400 3.30400 1.67500 1.000 H73 H 2.76700 4.21100 0.22800 1.000 H74 H 0.57100 3.74600 -0.82600 1.000 H75 H 0.06800 2.83900 0.62100 1.000 H76 H 0.80500 6.16100 -0.76000 1.000 H77 H 0.09200 8.26200 0.30900 1.000 H78 H -0.86300 8.22700 2.57900 1.000 H79 H -1.11200 6.09000 3.77600 1.000 H80 H -0.40400 3.98800 2.70500 1.000 H81 H 4.64000 2.75000 -0.18600 1.000 H82 H 4.27700 1.73500 1.23000 1.000 H83 H 4.01400 -0.23600 -0.25000 1.000 H84 H 4.37700 0.77900 -1.66700 1.000 H85 H 7.72500 -1.84300 -4.27400 1.000 H86 H 7.60200 -4.11400 -3.32900 1.000 H87 H 6.32700 -2.38700 0.36900 1.000