# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JLJ' 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 -2.78000 -0.16700 -0.03900 1.000 N1 N -3.77600 -1.02500 -0.19800 1.000 C2 C -5.00700 -0.71200 0.18900 1.000 C3 C -5.23800 0.53500 0.76700 1.000 C4 C -4.17200 1.40200 0.91500 1.000 N5 N -2.97000 1.02500 0.50700 1.000 O6 O -6.02400 -1.59300 0.02500 1.000 C7 C -5.70300 -2.84900 -0.57600 1.000 N8 N -1.50600 -0.52700 -0.44900 1.000 C9 C 1.59700 2.25200 -0.27600 1.000 C10 C 1.85800 0.89200 -0.04700 1.000 C11 C 0.82400 -0.02600 -0.10600 1.000 C12 C -0.46700 0.40000 -0.39000 1.000 C13 C -0.72700 1.74900 -0.61800 1.000 C14 C 0.29200 2.67100 -0.55700 1.000 O15 O 3.12100 0.47900 0.23000 1.000 N16 N 3.50600 3.96700 -0.17000 1.000 C17 C 2.66100 3.20800 -0.21700 1.000 C18 C 3.31100 -0.92000 0.45200 1.000 C19 C 4.76500 -1.18900 0.74300 1.000 C20 C 5.37000 -2.20200 0.17600 1.000 C21 C 4.58400 -3.17500 -0.66600 1.000 C22 C 6.85300 -2.39600 0.36300 1.000 H23 H -6.22900 0.81800 1.09200 1.000 H24 H -4.31700 2.37600 1.35900 1.000 H25 H -5.29600 -2.68200 -1.57300 1.000 H26 H -4.96400 -3.36600 0.03600 1.000 H27 H -6.60500 -3.45800 -0.64800 1.000 H28 H -1.33800 -1.42500 -0.77600 1.000 H29 H 1.02200 -1.07300 0.06900 1.000 H30 H -1.73400 2.07400 -0.83500 1.000 H31 H 0.08600 3.71600 -0.73400 1.000 H32 H 2.70500 -1.23900 1.30000 1.000 H33 H 3.01100 -1.47300 -0.43800 1.000 H34 H 5.30800 -0.54600 1.42000 1.000 H35 H 4.59700 -2.84900 -1.70600 1.000 H36 H 5.03200 -4.16600 -0.59000 1.000 H37 H 3.55500 -3.21300 -0.31000 1.000 H38 H 7.24600 -1.60100 0.99700 1.000 H39 H 7.03600 -3.36100 0.83600 1.000 H40 H 7.34900 -2.36600 -0.60700 1.000