# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91O' 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 3.91000 1.12400 -0.00600 1.000 C1 C 2.52600 1.12800 -0.02200 1.000 C2 C -4.49300 -1.28400 0.02500 1.000 C3 C -5.87000 -1.27000 0.00700 1.000 C4 C -8.55000 1.22900 -0.03600 1.000 C5 C -0.24200 1.11900 -0.04200 1.000 C6 C -2.30600 -0.09200 0.05200 1.000 C7 C -1.59000 1.12600 0.06000 1.000 C8 C -3.78400 -0.08100 0.03300 1.000 C9 C 3.82500 3.49700 -0.01900 1.000 C10 C -4.47500 1.13300 0.02100 1.000 C11 C 4.60100 -0.09800 0.00200 1.000 C12 C 6.07200 -0.11500 0.01900 1.000 C13 C 3.88500 -1.30100 -0.00600 1.000 C14 C 2.51900 -1.28500 -0.02200 1.000 C15 C 1.82900 -0.07300 -0.02400 1.000 C16 C -5.85200 1.14000 0.00200 1.000 C17 C -6.55400 -0.06000 -0.00500 1.000 N18 N 0.43700 -0.06800 -0.03900 1.000 O19 O 6.73200 -1.29000 0.02600 1.000 O20 O 6.69100 0.93100 0.02600 1.000 O21 O -1.70500 -1.15200 0.06200 1.000 O22 O -7.91100 -0.04900 -0.02400 1.000 O23 O 4.59600 2.29400 -0.00400 1.000 Cl24 Cl 1.63800 -2.78100 -0.03200 1.000 H25 H 1.98800 2.06500 -0.03100 1.000 H26 H -3.96300 -2.22500 0.03900 1.000 H27 H -6.41900 -2.20000 0.00100 1.000 H28 H -9.63200 1.09400 -0.05100 1.000 H29 H -8.26600 1.78500 0.85800 1.000 H30 H -8.24000 1.78200 -0.92200 1.000 H31 H 0.29800 2.05000 -0.12400 1.000 H32 H -2.12000 2.06300 0.14600 1.000 H33 H 3.20600 3.52200 -0.91600 1.000 H34 H 3.18700 3.53100 0.86400 1.000 H35 H 4.49400 4.35800 -0.01500 1.000 H36 H -3.92900 2.06600 0.02700 1.000 H37 H 4.41300 -2.24300 -0.00500 1.000 H38 H -6.38600 2.07800 -0.00700 1.000 H39 H 7.69900 -1.25000 0.03700 1.000 H40 H -0.05100 -0.90600 -0.04800 1.000