# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '97O' 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 -2.53700 -1.60700 0.13500 1.000 O1 O -3.32400 -2.71600 0.18000 1.000 C2 C -3.59600 -3.37000 -1.06100 1.000 C3 C -1.17000 -1.72000 0.36200 1.000 O4 O -0.61900 -2.93600 0.61800 1.000 C5 C 0.79200 -2.97500 0.84100 1.000 C6 C -0.37100 -0.58700 0.32500 1.000 C7 C -0.94000 0.64800 0.05500 1.000 C8 C -0.13900 1.89200 0.03200 1.000 C9 C 1.21100 2.11400 -0.05800 1.000 C10 C 2.26800 1.08700 -0.16100 1.000 C11 C 2.15500 0.05800 -1.09800 1.000 C12 C 3.14400 -0.89800 -1.19200 1.000 C13 C 4.25100 -0.83800 -0.35600 1.000 O14 O 5.22300 -1.78200 -0.45200 1.000 C15 C 6.33500 -1.66100 0.43800 1.000 C16 C 4.36700 0.18400 0.57700 1.000 C17 C 3.38600 1.14700 0.67300 1.000 N18 N 1.38900 3.47000 -0.03300 1.000 N19 N 0.12700 4.07600 0.07300 1.000 C20 C -0.78100 3.15600 0.11300 1.000 C21 C -2.28100 3.26100 0.22300 1.000 C22 C -2.93100 2.09700 -0.52000 1.000 C23 C -2.31300 0.76800 -0.18900 1.000 C24 C -3.10500 -0.36900 -0.14300 1.000 O25 O -4.44300 -0.27200 -0.36500 1.000 C26 C -5.28400 -0.14600 0.78400 1.000 H27 H -4.02300 -2.65300 -1.76300 1.000 H28 H -2.66900 -3.77100 -1.47100 1.000 H29 H -4.30200 -4.18300 -0.89600 1.000 H30 H 1.31000 -2.59900 -0.04200 1.000 H31 H 1.04200 -2.35400 1.70100 1.000 H32 H 1.10100 -4.00300 1.03300 1.000 H33 H 0.69100 -0.66700 0.50600 1.000 H34 H 1.29400 0.01100 -1.74800 1.000 H35 H 3.05700 -1.69400 -1.91700 1.000 H36 H 6.83400 -0.70800 0.26800 1.000 H37 H 5.98200 -1.70800 1.46900 1.000 H38 H 7.03600 -2.47600 0.25700 1.000 H39 H 5.23000 0.22600 1.22600 1.000 H40 H 3.47900 1.94300 1.39600 1.000 H41 H 2.24100 3.93300 -0.08100 1.000 H42 H -2.57100 3.22800 1.27300 1.000 H43 H -2.61200 4.20200 -0.21500 1.000 H44 H -3.99000 2.06500 -0.26400 1.000 H45 H -2.83800 2.27000 -1.59200 1.000 H46 H -6.32800 -0.16700 0.47300 1.000 H47 H -5.09100 -0.97300 1.46700 1.000 H48 H -5.07300 0.79800 1.28700 1.000