# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CUG' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.15600 -0.79300 0.23300 1.000 C1 C -0.72600 -1.78100 -0.39200 1.000 C2 C -0.53900 -3.11800 0.27800 1.000 O3 O 0.25100 -3.23300 1.18500 1.000 C4 C -2.18200 -1.33400 -0.24000 1.000 C5 C 2.13300 2.72800 3.12200 1.000 C6 C 4.55200 1.41400 0.46900 1.000 C7 C -5.49000 1.59700 0.33500 1.000 C8 C -4.25400 -0.38100 1.40900 1.000 C9 C -3.82100 1.74800 -1.72700 1.000 C10 C 1.43300 -0.67100 -0.18300 1.000 C11 C -4.34800 0.61500 0.28900 1.000 C12 C 2.32500 0.32800 0.45000 1.000 C13 C -3.52200 0.70400 -0.72900 1.000 C14 C 5.49900 -0.13700 -1.23800 1.000 C15 C 3.72600 0.46200 -0.00600 1.000 N16 N 6.22400 -0.87300 -2.16100 1.000 N17 N 1.87600 1.08900 1.40800 1.000 N18 N 4.26100 -0.35100 -0.91700 1.000 N19 N -2.39800 -0.07600 -0.97000 1.000 O20 O -6.73000 0.88600 0.31000 1.000 O21 O -4.69700 1.50000 -2.72000 1.000 O22 O 1.85100 -1.38100 -1.07600 1.000 O23 O -3.27800 2.83300 -1.65200 1.000 O24 O 2.76000 1.95300 2.09800 1.000 S25 S -2.55100 -1.01000 1.51500 1.000 S26 S 6.11600 1.23400 -0.32200 1.000 H27 H -0.17900 -0.22400 0.94300 1.000 H28 H -0.48200 -1.86800 -1.45100 1.000 H29 H -2.84900 -2.10600 -0.62300 1.000 H30 H 1.69000 2.06200 3.86300 1.000 H31 H 2.87700 3.36400 3.60400 1.000 H32 H 1.35400 3.35000 2.68100 1.000 H33 H 4.29800 2.16300 1.20500 1.000 H34 H -5.42700 2.18500 1.25000 1.000 H35 H -5.43500 2.26000 -0.52800 1.000 H36 H -4.52100 0.10300 2.34800 1.000 H37 H -4.93700 -1.20800 1.21800 1.000 H38 H 5.80600 -1.61600 -2.62400 1.000 H39 H 7.14900 -0.64500 -2.34300 1.000 H40 H -1.74700 0.21300 -1.62800 1.000 H41 H -7.50900 1.45600 0.26100 1.000 H42 H -4.86100 2.21500 -3.35000 1.000 O43 O -1.24900 -4.18000 -0.13200 1.000 H44 H -1.09400 -5.01600 0.32800 1.000