# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '06W' 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 -4.60600 -1.40400 -1.58700 1.000 C1 C -5.70400 -0.67700 -1.44800 1.000 N2 N -5.71100 0.46500 -0.77400 1.000 C3 C -4.61000 0.92800 -0.20700 1.000 C4 C -3.42600 0.19800 -0.32400 1.000 C5 C -3.45800 -1.01000 -1.04800 1.000 C6 C 5.53400 -0.40000 -0.87600 1.000 N7 N -6.88000 -1.12200 -2.02500 1.000 C8 C -4.63300 2.22800 0.55600 1.000 N9 N -2.31400 -1.77300 -1.19500 1.000 C10 C -2.21200 0.66400 0.27600 1.000 C11 C -1.21700 1.04700 0.76700 1.000 C12 C 0.03100 1.52600 1.38400 1.000 C13 C -0.16300 1.65100 2.89600 1.000 C14 C 1.14000 0.54600 1.09900 1.000 C15 C 1.03300 -0.76200 1.53300 1.000 C16 C 2.05100 -1.66900 1.27500 1.000 C17 C 3.17900 -1.26500 0.58000 1.000 C18 C 3.28800 0.05300 0.14200 1.000 C19 C 2.25800 0.95600 0.40100 1.000 C20 C 4.49300 0.49300 -0.60300 1.000 C21 C 4.62000 1.81100 -1.05000 1.000 C22 C 5.75800 2.17800 -1.73800 1.000 N23 N 6.71700 1.30400 -1.97500 1.000 C24 C 6.63900 0.05200 -1.56600 1.000 C25 C -4.96300 1.95200 2.02400 1.000 O26 O 1.94200 -2.95400 1.70400 1.000 C27 C 3.02700 -3.83300 1.40300 1.000 H28 H 5.47500 -1.42700 -0.54800 1.000 H29 H -6.89200 -1.95500 -2.52200 1.000 H30 H -7.69300 -0.60000 -1.93300 1.000 H31 H -3.65600 2.70700 0.48700 1.000 H32 H -5.39100 2.88600 0.13000 1.000 H33 H -1.48000 -1.47700 -0.79800 1.000 H34 H -2.34500 -2.60300 -1.69500 1.000 H35 H 0.29100 2.50000 0.96900 1.000 H36 H -0.96500 2.36000 3.10200 1.000 H37 H -0.42300 0.67800 3.31200 1.000 H38 H 0.76100 2.00600 3.35300 1.000 H39 H 0.15400 -1.07900 2.07500 1.000 H40 H 3.97300 -1.96900 0.37800 1.000 H41 H 2.33700 1.97800 0.06000 1.000 H42 H 3.83800 2.53200 -0.85900 1.000 H43 H 5.86500 3.19400 -2.08700 1.000 H44 H 7.44800 -0.63000 -1.78300 1.000 H45 H -4.98000 2.89200 2.57600 1.000 H46 H -5.94000 1.47300 2.09300 1.000 H47 H -4.20500 1.29500 2.45000 1.000 H48 H 3.94200 -3.45000 1.85600 1.000 H49 H 2.81300 -4.82500 1.80100 1.000 H50 H 3.15600 -3.89500 0.32200 1.000