# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HYQ' 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 -2.97400 -1.04300 0.81200 1.000 C1 C -1.50900 -0.90400 1.16400 1.000 O2 O -1.06200 -0.80800 2.28700 1.000 N3 N -0.78400 -0.90400 0.03900 1.000 C4 C 0.61100 -0.79000 0.03600 1.000 C5 C 1.40000 -1.91800 0.09700 1.000 C6 C 2.78800 -1.81600 0.09600 1.000 C7 C 3.40400 -0.60300 0.03500 1.000 N8 N 4.88200 -0.52100 0.03500 1.000 O9 O 5.44200 0.37900 0.63400 1.000 O10 O 5.53800 -1.35200 -0.56700 1.000 C11 C 2.63500 0.57200 -0.02300 1.000 C12 C 3.24300 1.83700 -0.09400 1.000 C13 C 2.46700 2.95400 -0.15500 1.000 C14 C 1.07700 2.86300 -0.15400 1.000 C15 C 0.45400 1.65400 -0.09200 1.000 C16 C 1.22100 0.48000 -0.02800 1.000 C17 C -1.50400 -1.01600 -1.08500 1.000 O18 O -1.05300 -1.01900 -2.21000 1.000 C19 C -2.97000 -1.12100 -0.72700 1.000 C20 C -3.72100 0.11400 -1.27900 1.000 C21 C -5.16500 0.09700 -0.77200 1.000 C22 C -5.16900 0.15000 0.75600 1.000 C23 C -3.72900 0.20600 1.27000 1.000 C24 C -3.03700 1.45300 0.71600 1.000 C25 C -3.03100 1.39600 -0.81300 1.000 H26 H -3.40200 -1.94400 1.25200 1.000 H27 H 0.93600 -2.89200 0.14600 1.000 H28 H 3.38700 -2.71400 0.14400 1.000 H29 H 4.31900 1.92300 -0.09500 1.000 H30 H 2.93700 3.92500 -0.20500 1.000 H31 H 0.48500 3.76500 -0.20400 1.000 H32 H -0.62500 1.59900 -0.09300 1.000 H33 H -3.41300 -2.04700 -1.09400 1.000 H34 H -3.71900 0.07600 -2.36900 1.000 H35 H -5.65600 -0.81800 -1.10500 1.000 H36 H -5.69900 0.96100 -1.16800 1.000 H37 H -5.66100 -0.73900 1.15000 1.000 H38 H -5.70700 1.03900 1.08700 1.000 H39 H -3.73300 0.24900 2.35900 1.000 H40 H -3.57400 2.34300 1.04500 1.000 H41 H -2.01100 1.49200 1.08200 1.000 H42 H -2.00200 1.40600 -1.17200 1.000 H43 H -3.56300 2.26100 -1.21000 1.000