# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '92X' 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 1.79100 0.25200 -0.08300 1.000 C1 C 0.79700 -1.90700 -0.44200 1.000 C2 C -0.60200 0.04400 -0.12800 1.000 C3 C 0.39400 2.32200 0.24500 1.000 C4 C -4.31300 0.28900 -0.13900 1.000 C5 C -2.83000 -1.53500 -0.43100 1.000 C6 C -4.94300 0.74600 -1.28900 1.000 C7 C -6.88400 1.30200 -0.00200 1.000 C8 C 6.58500 0.05200 -0.96800 1.000 C9 C 7.03300 -0.37500 0.42900 1.000 C10 C 5.95300 -1.26700 1.05600 1.000 C11 C 4.70000 -0.43000 1.20600 1.000 C12 C 4.33000 0.44800 0.09000 1.000 C13 C 5.22200 0.67900 -0.93000 1.000 O14 O 4.86000 1.49500 -1.93100 1.000 C15 C 3.00300 1.08200 0.06400 1.000 O16 O 4.02600 -0.48300 2.21300 1.000 O17 O 2.90400 2.29100 0.16200 1.000 C18 C 1.90900 -1.12600 -0.30500 1.000 C19 C -0.46800 -1.33800 -0.36300 1.000 C20 C 0.52900 0.84000 0.00600 1.000 C21 C -1.96100 0.61100 -0.05000 1.000 N22 N -3.01100 -0.22400 -0.20800 1.000 O23 O -2.13200 1.79800 0.15100 1.000 O24 O -3.81000 -2.24500 -0.54900 1.000 N25 N -1.61400 -2.10400 -0.49100 1.000 C26 C -1.49900 -3.54300 -0.73800 1.000 C27 C -6.22700 1.25100 -1.21700 1.000 C28 C -6.25800 0.85200 1.14600 1.000 C29 C -4.97500 0.34600 1.08100 1.000 C30 C -4.29300 -0.14500 2.33200 1.000 H31 H 0.90100 -2.96800 -0.61400 1.000 H32 H 0.43300 2.84900 -0.70800 1.000 H33 H -0.55900 2.52600 0.73400 1.000 H34 H 1.21000 2.66300 0.88300 1.000 H35 H -4.42900 0.70700 -2.23800 1.000 H36 H -7.88700 1.69800 0.05100 1.000 H37 H 7.29900 0.77200 -1.36800 1.000 H38 H 6.55800 -0.82300 -1.61800 1.000 H39 H 7.96800 -0.93000 0.35800 1.000 H40 H 7.18000 0.50900 1.05000 1.000 H41 H 5.75300 -2.11900 0.40500 1.000 H42 H 6.28400 -1.61700 2.03300 1.000 H43 H 3.97000 1.87100 -1.89000 1.000 H44 H 2.88900 -1.57500 -0.36800 1.000 H45 H -2.49400 -3.97500 -0.84400 1.000 H46 H -0.93100 -3.71100 -1.65300 1.000 H47 H -0.98500 -4.01500 0.10000 1.000 H48 H -6.71700 1.60700 -2.11100 1.000 H49 H -6.77300 0.89700 2.09400 1.000 H50 H -4.50800 -1.20500 2.47100 1.000 H51 H -3.21600 -0.00200 2.23900 1.000 H52 H -4.66200 0.41600 3.19100 1.000