# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9W1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -5.89300 0.23900 -1.14300 1.000 N1 N -7.63400 1.05100 -0.42400 1.000 C2 C 4.60000 0.75600 0.15700 1.000 C3 C 0.87500 -0.60600 -0.86800 1.000 C4 C 2.92600 -1.51600 -0.03300 1.000 C5 C 4.27200 0.71900 -1.19100 1.000 C6 C 2.26900 -0.58400 -0.83600 1.000 C7 C -5.57100 0.56300 0.09100 1.000 C8 C -6.82800 1.14800 0.60900 1.000 C9 C -1.84800 -1.23700 -1.54500 1.000 C10 C -1.89500 -0.41200 0.71100 1.000 C11 C 7.52500 1.59300 2.19700 1.000 C12 C 6.49500 1.42800 -1.75300 1.000 C13 C 5.22400 1.05700 -2.14500 1.000 C14 C 6.82000 1.47600 -0.41000 1.000 C15 C 5.87500 1.13400 0.54700 1.000 C16 C 0.20200 -1.54100 -0.10900 1.000 C17 C 2.18000 -2.42500 0.68700 1.000 C18 C -4.27500 0.38500 0.78700 1.000 C19 C -3.24600 -0.65300 -1.25000 1.000 C20 C -1.30500 -1.57100 -0.13100 1.000 C21 C 2.87800 -3.44800 1.54400 1.000 N22 N 0.86000 -2.40900 0.63400 1.000 N23 N -3.23400 -0.17600 0.14100 1.000 N24 N -7.08900 1.67000 1.86800 1.000 N25 N 2.98600 0.34300 -1.58800 1.000 O26 O -4.15200 0.74400 1.94100 1.000 O27 O -7.04600 0.54100 -1.34700 1.000 O28 O 6.19700 1.18200 1.86700 1.000 H29 H 3.86300 0.49400 0.90100 1.000 H30 H 0.33000 0.10200 -1.47400 1.000 H31 H 4.00500 -1.53400 0.01500 1.000 H32 H -1.92700 -2.14000 -2.15100 1.000 H33 H -1.21500 -0.49900 -2.03700 1.000 H34 H -1.97500 -0.70500 1.75700 1.000 H35 H -1.27700 0.48100 0.61300 1.000 H36 H 7.64900 1.58700 3.28000 1.000 H37 H 8.24100 0.90500 1.74600 1.000 H38 H 7.70000 2.59900 1.81600 1.000 H39 H 7.23400 1.69000 -2.49600 1.000 H40 H 4.97000 1.03000 -3.19400 1.000 H41 H 7.81500 1.76600 -0.10600 1.000 H42 H -3.45000 0.17700 -1.92500 1.000 H43 H -4.00400 -1.42700 -1.37000 1.000 H44 H -1.67900 -2.53500 0.21400 1.000 H45 H 3.02200 -3.04500 2.54700 1.000 H46 H 2.27000 -4.35100 1.60000 1.000 H47 H 3.84700 -3.68900 1.10700 1.000 H48 H -6.39300 1.67900 2.54300 1.000 H49 H -7.96800 2.02500 2.07300 1.000 H50 H 2.59300 0.72800 -2.38700 1.000