# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5U' 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 2.62700 0.47200 -0.52800 1.000 C1 C 3.91900 -1.33600 -1.35000 1.000 C2 C 0.01300 -0.71700 0.77100 1.000 C3 C 0.04200 -1.25500 3.10400 1.000 C4 C -0.22200 -2.04500 0.46700 1.000 C5 C 2.70600 3.06500 0.47500 1.000 O6 O -2.54800 0.74900 -1.95400 1.000 C7 C -2.31700 0.76000 -0.75900 1.000 O8 O -3.25300 0.33500 0.11400 1.000 C9 C -4.49400 -0.11600 -0.43400 1.000 C10 C -1.06600 1.22000 -0.28600 1.000 C11 C -0.96600 2.46900 0.20200 1.000 N12 N 0.23000 2.94800 0.66100 1.000 C13 C 1.40100 2.33000 0.31300 1.000 C14 C 1.40000 1.07600 -0.17000 1.000 O15 O 3.66900 1.08600 -0.39600 1.000 O16 O 2.64400 -0.78900 -1.01000 1.000 C17 C 0.12200 0.30100 -0.33500 1.000 C18 C 0.14200 -0.32200 2.08900 1.000 C19 C -0.18700 -2.58400 2.80000 1.000 C20 C -0.32200 -2.97800 1.48200 1.000 N21 N -0.36600 -2.46700 -0.94400 1.000 O22 O -0.99100 -1.77400 -1.72600 1.000 O23 O 0.14100 -3.50800 -1.32300 1.000 C24 C -2.18700 3.35100 0.24500 1.000 H25 H 3.79000 -2.35200 -1.72400 1.000 H26 H 4.38400 -0.72200 -2.12100 1.000 H27 H 4.55500 -1.35300 -0.46500 1.000 H28 H 0.14300 -0.94600 4.13400 1.000 H29 H 2.51600 4.06000 0.87600 1.000 H30 H 3.35100 2.51400 1.15900 1.000 H31 H 3.19600 3.15200 -0.49500 1.000 H32 H -5.15500 -0.43000 0.37400 1.000 H33 H -4.96100 0.69500 -0.99200 1.000 H34 H -4.31100 -0.95800 -1.10100 1.000 H35 H 0.24900 3.72900 1.23600 1.000 H36 H 0.13500 -0.21300 -1.29600 1.000 H37 H 0.32100 0.71700 2.32700 1.000 H38 H -0.26500 -3.31400 3.59200 1.000 H39 H -0.50100 -4.01700 1.24400 1.000 H40 H -2.75500 3.14300 1.15200 1.000 H41 H -1.88000 4.39700 0.24000 1.000 H42 H -2.81000 3.15200 -0.62700 1.000