# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '03O' 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 3.65800 -1.30400 1.19700 1.000 C1 C 3.96800 -2.08300 0.18300 1.000 N2 N 4.59400 -3.28000 0.42500 1.000 N3 N 3.68100 -1.73200 -1.10000 1.000 C4 C 3.06700 -0.55700 -1.36100 1.000 O5 O 2.80700 -0.23000 -2.51000 1.000 C6 C 2.73600 0.27600 -0.28800 1.000 N7 N 2.09500 1.51600 -0.50600 1.000 C8 C 1.45400 2.18500 0.63800 1.000 C9 C 2.41000 2.09700 1.83700 1.000 N10 N 2.72000 0.68100 2.07800 1.000 C11 C 3.04600 -0.13000 1.00200 1.000 C12 C 0.13600 1.48500 0.97400 1.000 N13 N -0.71100 1.43800 -0.22000 1.000 C14 C 2.07000 2.12200 -1.83900 1.000 C15 C -4.46500 -0.33600 -0.03700 1.000 C16 C -4.00900 0.21600 -1.23800 1.000 C17 C -2.77000 0.80100 -1.29500 1.000 C18 C -1.96600 0.84500 -0.15900 1.000 C19 C -2.41800 0.29600 1.03800 1.000 C20 C -3.65500 -0.29000 1.10200 1.000 C21 C -5.79900 -0.96000 0.02900 1.000 O22 O -6.50300 -0.99400 -0.96000 1.000 H23 H 4.80300 -3.54200 1.33600 1.000 H24 H 4.82800 -3.86300 -0.31300 1.000 H25 H 3.91900 -2.32600 -1.82900 1.000 H26 H 1.26500 3.23100 0.39400 1.000 H27 H 3.32800 2.64200 1.61600 1.000 H28 H 1.93200 2.52400 2.71900 1.000 H29 H 2.69800 0.31900 2.97800 1.000 H30 H 0.34100 0.47000 1.31500 1.000 H31 H -0.37700 2.03600 1.76200 1.000 H32 H -0.39500 1.82100 -1.05400 1.000 H33 H 1.48700 1.49300 -2.51300 1.000 H34 H 1.61500 3.11100 -1.78000 1.000 H35 H 3.08800 2.21300 -2.21700 1.000 H36 H -4.63200 0.18200 -2.12000 1.000 H37 H -2.41700 1.22800 -2.22200 1.000 H38 H -1.79200 0.33100 1.91800 1.000 H39 H -4.00500 -0.71600 2.03100 1.000 O40 O -6.23700 -1.49200 1.18700 1.000 H41 H -7.11800 -1.89000 1.18200 1.000