# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J54' 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 -5.76500 -0.74600 0.31700 1.000 C1 C -4.97600 -0.08000 -0.31100 1.000 C2 C -3.57100 -0.58000 -0.52600 1.000 O3 O -3.45000 -1.90200 0.00100 1.000 C4 C -2.58500 0.34600 0.18900 1.000 N5 N -1.21400 -0.06900 -0.11800 1.000 C6 C -0.17200 0.60600 0.40600 1.000 O7 O -0.36900 1.56000 1.13400 1.000 N8 N 1.08900 0.22400 0.12300 1.000 C9 C 2.22200 0.95700 0.69300 1.000 C10 C 3.51100 0.33300 0.22600 1.000 C11 C 4.11000 0.77400 -0.94000 1.000 C12 C 5.29300 0.20100 -1.36900 1.000 C13 C 5.87700 -0.81300 -0.63200 1.000 C14 C 5.27900 -1.25300 0.53400 1.000 C15 C 4.09900 -0.67700 0.96500 1.000 O16 O -5.35300 1.10300 -0.82000 1.000 H17 H -3.34900 -0.59200 -1.59300 1.000 H18 H -6.26600 1.38000 -0.65900 1.000 H19 H -3.63300 -1.96700 0.94800 1.000 H20 H -2.73800 1.37100 -0.14900 1.000 H21 H -2.74900 0.29000 1.26500 1.000 H22 H -1.05600 -0.83000 -0.69800 1.000 H23 H 1.24700 -0.53700 -0.45700 1.000 H24 H 2.18300 1.99700 0.36700 1.000 H25 H 2.17200 0.91600 1.78100 1.000 H26 H 3.65400 1.56500 -1.51600 1.000 H27 H 3.63300 -1.01800 1.87800 1.000 H28 H 5.76000 0.54400 -2.28000 1.000 H29 H 6.80100 -1.26100 -0.96800 1.000 H30 H 5.73500 -2.04400 1.10900 1.000