# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0O4' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -1.67100 -1.67300 1.44600 1.000 C1 C -1.39300 -0.66400 0.82800 1.000 N2 N -2.37500 0.10100 0.31100 1.000 C3 C -3.77600 -0.28300 0.49500 1.000 C4 C -4.68100 0.74700 -0.18500 1.000 N5 N -6.08700 0.36200 -0.00100 1.000 C6 C -6.98900 1.44000 -0.42900 1.000 C7 C -8.43800 1.02100 -0.16600 1.000 O8 O -8.70400 -0.20900 -0.84500 1.000 C9 C -7.84300 -1.28200 -0.45200 1.000 C10 C -6.38900 -0.88600 -0.71800 1.000 C11 C 0.02100 -0.27200 0.64900 1.000 C12 C 0.34000 0.89100 -0.05700 1.000 C13 C 1.03800 -1.06200 1.18900 1.000 C14 C 2.35500 -0.69700 1.02200 1.000 C15 C 2.67400 0.46200 0.31200 1.000 C16 C 1.65700 1.25500 -0.22400 1.000 C17 C 4.09000 0.85400 0.13200 1.000 N18 N 4.46000 2.10900 0.31700 1.000 C19 C 5.71100 2.51400 0.17000 1.000 C20 C 5.05500 -0.11400 -0.23200 1.000 C21 C 4.72000 -1.45900 -0.43400 1.000 C22 C 5.69200 -2.34800 -0.78300 1.000 C23 C 6.40200 0.30000 -0.39400 1.000 C24 C 6.71100 1.65700 -0.18400 1.000 C25 C 7.37600 -0.64100 -0.75400 1.000 C26 C 7.01500 -1.94200 -0.94200 1.000 H27 H -2.15300 0.90700 -0.18200 1.000 H28 H -3.94500 -1.26400 0.05000 1.000 H29 H -4.00600 -0.32300 1.55900 1.000 H30 H -4.51200 1.72800 0.26000 1.000 H31 H -4.45100 0.78700 -1.24900 1.000 H32 H -6.76500 2.34700 0.13300 1.000 H33 H -6.85200 1.62800 -1.49400 1.000 H34 H -8.58800 0.88500 0.90500 1.000 H35 H -9.11300 1.79400 -0.53300 1.000 H36 H -7.97700 -1.48500 0.61100 1.000 H37 H -8.08900 -2.17500 -1.02600 1.000 H38 H -6.24200 -0.73500 -1.78800 1.000 H39 H -5.72600 -1.67700 -0.36700 1.000 H40 H -0.44700 1.50400 -0.47100 1.000 H41 H 0.79200 -1.95900 1.73900 1.000 H42 H 3.14200 -1.30800 1.44000 1.000 H43 H 1.90300 2.15300 -0.76900 1.000 H44 H 5.94800 3.55400 0.33600 1.000 H45 H 3.69800 -1.78800 -0.31400 1.000 H46 H 5.43200 -3.38500 -0.93900 1.000 H47 H 7.72500 2.01300 -0.29800 1.000 H48 H 8.40500 -0.33800 -0.88100 1.000 H49 H 7.76500 -2.66800 -1.21800 1.000