# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H5U' 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 1.24500 1.18400 0.04700 1.000 C1 C 2.04700 1.91800 0.86800 1.000 C2 C 3.47000 1.63400 0.44500 1.000 N3 N 3.37900 0.68600 -0.67100 1.000 C4 C 2.07700 0.43100 -0.89400 1.000 O5 O 1.65200 -0.31800 -1.75400 1.000 O6 O 1.65000 2.73600 1.85800 1.000 C7 C 4.50700 0.11700 -1.41300 1.000 C8 C 4.84600 -1.23900 -0.84900 1.000 C9 C 4.15100 2.92500 -0.01400 1.000 C10 C -0.42100 -1.19700 1.23400 1.000 C11 C -1.27700 -2.16000 1.71900 1.000 C12 C -2.64800 -1.98200 1.66900 1.000 C13 C -3.16700 -0.81700 1.12300 1.000 C14 C -0.92800 -0.01300 0.67900 1.000 C15 C -2.32000 0.13900 0.64100 1.000 S16 S -2.53300 1.72600 -0.11600 1.000 N17 N -0.93000 2.13900 -0.35500 1.000 C18 C -0.22900 1.14800 0.10200 1.000 O19 O -3.11800 1.51700 -1.39400 1.000 O20 O -3.05900 2.60500 0.86900 1.000 C21 C 4.02300 3.98600 1.08100 1.000 C22 C 5.63100 2.65100 -0.28800 1.000 C23 C 3.48000 3.42800 -1.29300 1.000 C24 C 4.23900 -2.37100 -1.36000 1.000 C25 C 4.55000 -3.61500 -0.84400 1.000 C26 C 5.46900 -3.72700 0.18500 1.000 C27 C 6.07700 -2.59300 0.69600 1.000 C28 C 5.76900 -1.35000 0.17500 1.000 F29 F 5.77300 -4.94300 0.69100 1.000 C30 C -4.65900 -0.60800 1.06100 1.000 N31 N -5.13900 -0.91500 -0.28900 1.000 S32 S -6.75700 -1.13600 -0.56200 1.000 C33 C -7.50000 0.48200 -0.21300 1.000 O34 O -6.84100 -1.43400 -1.94900 1.000 O35 O -7.15100 -2.08700 0.41700 1.000 H36 H 4.02500 1.18900 1.27100 1.000 H37 H 0.70400 2.75700 2.05800 1.000 H38 H 4.23800 0.01600 -2.46400 1.000 H39 H 5.37100 0.77500 -1.32100 1.000 H40 H 0.64700 -1.35300 1.28600 1.000 H41 H -0.87300 -3.06700 2.14300 1.000 H42 H -3.31000 -2.74500 2.05200 1.000 H43 H 4.50100 3.62800 1.99200 1.000 H44 H 4.50800 4.90600 0.75400 1.000 H45 H 2.96900 4.18100 1.27600 1.000 H46 H 5.74900 2.27500 -1.30400 1.000 H47 H 6.19900 3.57500 -0.17400 1.000 H48 H 6.00000 1.90800 0.41900 1.000 H49 H 2.42600 3.62400 -1.09800 1.000 H50 H 3.96500 4.34800 -1.62000 1.000 H51 H 3.57100 2.67200 -2.07300 1.000 H52 H 3.52100 -2.28300 -2.16200 1.000 H53 H 4.07500 -4.49900 -1.24300 1.000 H54 H 6.79400 -2.67900 1.49800 1.000 H55 H 6.24600 -0.46600 0.57100 1.000 H56 H -5.14800 -1.26600 1.77800 1.000 H57 H -4.89100 0.42900 1.30200 1.000 H58 H -4.50800 -0.98900 -1.02300 1.000 H59 H -7.07300 1.23000 -0.88200 1.000 H60 H -8.57700 0.42800 -0.36900 1.000 H61 H -7.29600 0.76000 0.82100 1.000