# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '969' 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 -4.78600 3.25000 -1.17300 1.000 C1 C -3.93700 1.97800 -1.22100 1.000 C2 C -3.62800 1.51800 0.20500 1.000 C3 C -4.93700 1.23000 0.94300 1.000 O4 O -2.91000 2.54400 0.89200 1.000 C5 C -2.79200 0.26500 0.15800 1.000 O6 O -1.47200 0.39800 0.04100 1.000 C7 C -0.66400 -0.67500 -0.00700 1.000 C8 C 0.72300 -0.51700 -0.13000 1.000 C9 C 1.31800 0.83200 -0.20600 1.000 O10 O 0.61500 1.80200 -0.41600 1.000 C11 C 2.77300 0.99100 -0.02500 1.000 C12 C 3.33000 2.25200 0.19800 1.000 O13 O 2.53500 3.34900 0.25100 1.000 C14 C 4.70800 2.37700 0.36600 1.000 C15 C 5.52100 1.26400 0.31300 1.000 C16 C 4.98200 0.00600 0.09200 1.000 C17 C 3.61000 -0.14100 -0.07700 1.000 C18 C 3.01900 -1.47600 -0.31000 1.000 O19 O 3.72600 -2.41900 -0.60500 1.000 C20 C 1.55300 -1.65000 -0.17900 1.000 C21 C 1.00100 -2.92800 -0.10500 1.000 C22 C -0.36500 -3.08800 0.01700 1.000 C23 C -0.95600 -4.47200 0.09700 1.000 C24 C -1.19800 -1.97300 0.06700 1.000 C25 C -2.66400 -2.11800 0.19800 1.000 O26 O -3.19400 -3.21400 0.26700 1.000 C27 C -3.42300 -0.91900 0.24300 1.000 H28 H -5.71900 3.04500 -0.64700 1.000 H29 H -4.23800 4.03300 -0.65000 1.000 H30 H -5.00700 3.57800 -2.18900 1.000 H31 H -4.48500 1.19500 -1.74500 1.000 H32 H -3.00500 2.18300 -1.74700 1.000 H33 H -4.71600 0.90200 1.95900 1.000 H34 H -5.54200 2.13600 0.97700 1.000 H35 H -5.48500 0.44700 0.41900 1.000 H36 H -2.06700 2.77900 0.47900 1.000 H37 H 2.20800 3.55500 1.13800 1.000 H38 H 5.14100 3.35100 0.53900 1.000 H39 H 6.58700 1.37400 0.44400 1.000 H40 H 5.62700 -0.85900 0.05200 1.000 H41 H 1.64400 -3.79500 -0.14400 1.000 H42 H -1.11900 -4.73800 1.14100 1.000 H43 H -1.90700 -4.49200 -0.43600 1.000 H44 H -0.27000 -5.18700 -0.35700 1.000 H45 H -4.49800 -0.95700 0.34200 1.000