# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHU' 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 3.76100 0.57100 0.89900 1.000 C1 C 2.52000 1.17400 0.76200 1.000 C2 C 2.25700 1.96500 -0.37100 1.000 C3 C 0.94300 2.59800 -0.50600 1.000 C4 C 0.02800 2.39300 0.47700 1.000 C5 C -1.33700 3.02400 0.38200 1.000 C6 C 4.95700 -3.17300 -0.53200 1.000 C7 C -2.94500 1.09900 0.56200 1.000 C8 C -2.57100 2.05700 -1.58800 1.000 C9 C 4.72700 0.75600 -0.07600 1.000 C10 C 4.46200 1.54400 -1.19500 1.000 C11 C 3.24300 2.13600 -1.35000 1.000 C12 C 0.36000 1.58900 1.58700 1.000 O13 O 1.56600 1.01200 1.70400 1.000 O14 O -0.47000 1.41300 2.46200 1.000 C15 C 0.61500 3.45400 -1.70200 1.000 C16 C -2.30400 2.04000 -0.22500 1.000 O17 O 5.94200 0.16400 0.05800 1.000 C18 C 6.00900 -1.18400 -0.05800 1.000 N19 N 7.15800 -1.79500 0.18300 1.000 C20 C 7.25700 -3.11100 0.08400 1.000 C21 C 6.14300 -3.84700 -0.28800 1.000 N22 N 4.92500 -1.85600 -0.41000 1.000 C23 C -3.83200 0.20700 -0.03700 1.000 N24 N -4.06000 0.25700 -1.34000 1.000 C25 C -3.46100 1.14300 -2.11400 1.000 N26 N -4.48500 -0.74400 0.74100 1.000 S27 S -5.54000 -1.80800 0.03600 1.000 N28 N -4.66100 -2.76300 -0.99200 1.000 C29 C -3.64100 -3.66900 -0.45700 1.000 O30 O -6.00600 -2.65800 1.07500 1.000 O31 O -6.40700 -1.03200 -0.78000 1.000 F32 F -2.71100 1.04400 1.89100 1.000 H33 H 3.97500 -0.03800 1.76500 1.000 H34 H -1.68000 3.30100 1.38000 1.000 H35 H -1.28300 3.91400 -0.24400 1.000 H36 H 4.07000 -3.71600 -0.82400 1.000 H37 H -2.08700 2.77900 -2.23000 1.000 H38 H 5.22300 1.67700 -1.95000 1.000 H39 H 3.04300 2.74600 -2.21900 1.000 H40 H 1.47600 3.49200 -2.36900 1.000 H41 H -0.23600 3.02700 -2.23200 1.000 H42 H 0.36700 4.46200 -1.37000 1.000 H43 H 8.19700 -3.60400 0.28200 1.000 H44 H 6.19800 -4.92100 -0.38400 1.000 H45 H -3.67200 1.15300 -3.17300 1.000 H46 H -4.32100 -0.78400 1.69600 1.000 H47 H -4.82000 -2.72300 -1.94700 1.000 H48 H -3.17100 -4.21100 -1.27700 1.000 H49 H -2.88600 -3.09200 0.07700 1.000 H50 H -4.10800 -4.37800 0.22700 1.000