# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CRG' 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 -0.55500 -2.50300 -1.61200 1.000 C1 C -1.41100 -1.56300 -0.87600 1.000 C2 C -1.80400 -2.17600 0.46900 1.000 C3 C -2.45600 -3.54100 0.23600 1.000 O4 O -0.63800 -2.33800 1.27800 1.000 C5 C -0.66000 -0.27800 -0.64200 1.000 N6 N 0.61400 -0.20600 -0.41400 1.000 N7 N -1.23300 0.96300 -0.64700 1.000 C8 C -0.26900 1.87800 -0.40400 1.000 O9 O -0.39900 3.08800 -0.33300 1.000 C10 C 0.97100 1.10400 -0.24700 1.000 C11 C -2.65000 1.25200 -0.87800 1.000 C12 C -3.38600 1.24200 0.43700 1.000 O13 O -2.78700 1.01600 1.46200 1.000 C14 C 2.23400 1.59600 0.01300 1.000 C15 C 3.36500 0.67800 0.13600 1.000 C16 C 4.67800 1.02600 0.39300 1.000 C17 C 4.51900 -1.15500 0.19400 1.000 N18 N 3.32100 -0.67600 0.02500 1.000 N19 N 5.38600 -0.13400 0.42400 1.000 O20 O -4.70600 1.48300 0.47000 1.000 H21 H 0.28500 -2.71000 -1.09200 1.000 H22 H -1.05700 -3.34800 -1.83800 1.000 H23 H -2.30900 -1.35700 -1.45800 1.000 H24 H -2.51000 -1.51800 0.97600 1.000 H25 H -2.73700 -3.97800 1.19500 1.000 H26 H -3.34600 -3.41700 -0.38100 1.000 H27 H -1.75100 -4.19900 -0.27100 1.000 H28 H -0.81200 -2.72300 2.14800 1.000 H29 H -2.75000 2.23300 -1.34300 1.000 H30 H -3.07300 0.49300 -1.53600 1.000 H31 H 2.38600 2.65900 0.12500 1.000 H32 H 5.06500 2.02300 0.54000 1.000 H33 H 4.78200 -2.20200 0.15900 1.000 H34 H 6.33900 -0.21800 0.58300 1.000 H35 H -5.13400 1.46500 1.33700 1.000