# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JA1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -0.65000 -2.41400 -0.28100 1.000 N1 N 5.80900 1.82800 0.10900 1.000 O2 O -0.45300 -3.62100 -0.87400 1.000 C3 C 0.41200 -1.52600 -0.13600 1.000 O4 O 1.64900 -1.86400 -0.58800 1.000 C5 C 2.65700 -0.96900 -0.41900 1.000 O6 O 6.48500 1.79900 1.12100 1.000 C7 C 3.42900 -1.00100 0.73400 1.000 O8 O 6.03600 2.66000 -0.75200 1.000 C9 C 4.45400 -0.09000 0.90300 1.000 C10 C 4.71000 0.85300 -0.07500 1.000 C11 C 3.94200 0.88800 -1.22400 1.000 C12 C 2.92000 -0.02500 -1.40100 1.000 C13 C 0.20600 -0.29600 0.46900 1.000 C14 C -1.05200 0.04600 0.92700 1.000 C15 C -2.10700 -0.83600 0.78400 1.000 C16 C -3.47700 -0.45700 1.28500 1.000 C17 C -4.25000 0.25100 0.17100 1.000 C18 C -5.64100 0.63600 0.68000 1.000 C19 C -6.41400 1.34300 -0.43400 1.000 C20 C -7.80500 1.72800 0.07500 1.000 C21 C -8.57800 2.43600 -1.03900 1.000 C22 C -1.91000 -2.06200 0.17600 1.000 H23 H -0.20600 -4.32600 -0.25900 1.000 H24 H 3.22900 -1.73700 1.49800 1.000 H25 H 5.05500 -0.11400 1.80000 1.000 H26 H 4.14400 1.62600 -1.98600 1.000 H27 H 2.32400 -0.00100 -2.30100 1.000 H28 H 1.02900 0.39400 0.58200 1.000 H29 H -1.21100 1.00500 1.39800 1.000 H30 H -4.01500 -1.35600 1.58600 1.000 H31 H -3.37800 0.21200 2.14100 1.000 H32 H -3.71200 1.15000 -0.13000 1.000 H33 H -4.34800 -0.41700 -0.68400 1.000 H34 H -6.17900 -0.26300 0.98100 1.000 H35 H -5.54300 1.30400 1.53500 1.000 H36 H -5.87600 2.24200 -0.73500 1.000 H37 H -6.51300 0.67500 -1.28900 1.000 H38 H -8.34300 0.82900 0.37600 1.000 H39 H -7.70700 2.39600 0.93000 1.000 H40 H -8.04000 3.33500 -1.34100 1.000 H41 H -8.67700 1.76700 -1.89500 1.000 H42 H -9.56900 2.71000 -0.67700 1.000 H43 H -2.73600 -2.74900 0.06600 1.000