# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0B3' 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 3.96600 -1.79900 0.81100 1.000 C1 C 3.11700 -0.96000 0.59400 1.000 N2 N 3.46200 0.24900 0.10600 1.000 C3 C 4.86800 0.55200 -0.17400 1.000 C4 C 2.49300 1.20200 -0.12800 1.000 N5 N 2.85900 2.52300 -0.23300 1.000 N6 N 1.24300 0.87800 -0.25300 1.000 C7 C 1.66300 -1.26100 0.85900 1.000 C8 C 0.80200 -0.51300 -0.15600 1.000 C9 C 0.93900 -1.17700 -1.52700 1.000 C10 C -0.66200 -0.55800 0.28800 1.000 C11 C -1.52600 0.19200 -0.72900 1.000 C12 C -2.96700 0.14700 -0.29200 1.000 C13 C -3.78300 -0.89100 -0.70300 1.000 C14 C -5.10500 -0.93100 -0.30300 1.000 C15 C -5.61200 0.06600 0.50900 1.000 C16 C -4.79700 1.10300 0.92100 1.000 C17 C -3.47300 1.14200 0.52400 1.000 H18 H 5.10100 0.27400 -1.20200 1.000 H19 H 5.04400 1.61800 -0.03700 1.000 H20 H 5.50400 -0.01200 0.50800 1.000 H21 H 3.79000 2.77600 -0.14100 1.000 H22 H 2.18500 3.20100 -0.39700 1.000 H23 H 1.48900 -2.33300 0.76600 1.000 H24 H 1.40100 -0.93500 1.86600 1.000 H25 H 0.60800 -2.21400 -1.46300 1.000 H26 H 0.32400 -0.64400 -2.25200 1.000 H27 H 1.98200 -1.14800 -1.84200 1.000 H28 H -0.99100 -1.59500 0.34900 1.000 H29 H -0.76000 -0.08700 1.26600 1.000 H30 H -1.19700 1.22900 -0.79000 1.000 H31 H -1.42800 -0.27900 -1.70700 1.000 H32 H -3.38600 -1.66900 -1.33800 1.000 H33 H -5.74200 -1.74200 -0.62500 1.000 H34 H -6.64600 0.03400 0.82100 1.000 H35 H -5.19300 1.88200 1.55600 1.000 H36 H -2.83500 1.95000 0.84900 1.000