# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0B4' 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 -4.21900 -1.42700 -0.85000 1.000 C1 C -3.25100 -0.73400 -0.62200 1.000 N2 N -3.40600 0.54400 -0.22100 1.000 C3 C -4.75100 1.09800 -0.04700 1.000 C4 C -2.30000 1.33000 0.02600 1.000 N5 N -2.43600 2.69800 0.03800 1.000 N6 N -1.13400 0.80700 0.24700 1.000 C7 C -1.85800 -1.29400 -0.77900 1.000 C8 C -0.93700 -0.64200 0.25000 1.000 C9 C -1.26100 -1.18800 1.64200 1.000 C10 C 0.51900 -0.96300 -0.09600 1.000 C11 C 1.24500 -1.98200 0.78400 1.000 C12 C 1.59700 -0.49700 0.88400 1.000 C13 C 2.91700 -0.05300 0.30800 1.000 C14 C 3.36800 1.23500 0.52500 1.000 C15 C 4.57800 1.64200 -0.00500 1.000 C16 C 5.33800 0.76000 -0.75100 1.000 C17 C 4.88600 -0.52800 -0.96800 1.000 C18 C 3.67900 -0.93700 -0.43400 1.000 H19 H -5.08400 0.92800 0.97600 1.000 H20 H -4.73200 2.16900 -0.25000 1.000 H21 H -5.43700 0.61000 -0.73900 1.000 H22 H -3.30300 3.10100 -0.12500 1.000 H23 H -1.66500 3.26100 0.21100 1.000 H24 H -1.87900 -2.37200 -0.61900 1.000 H25 H -1.49000 -1.08000 -1.78200 1.000 H26 H -1.11200 -2.26700 1.65300 1.000 H27 H -0.60400 -0.72300 2.37700 1.000 H28 H -2.29900 -0.96100 1.88800 1.000 H29 H 0.76400 -0.95000 -1.15800 1.000 H30 H 0.68700 -2.42400 1.60900 1.000 H31 H 1.96900 -2.63900 0.30100 1.000 H32 H 1.26900 0.03900 1.77500 1.000 H33 H 2.77500 1.92400 1.10800 1.000 H34 H 4.93100 2.64900 0.16400 1.000 H35 H 6.28300 1.07800 -1.16500 1.000 H36 H 5.47900 -1.21700 -1.55200 1.000 H37 H 3.32600 -1.94400 -0.60300 1.000