# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDJ' 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 -5.09800 -0.21500 0.00500 1.000 C1 C -4.56600 -1.49700 0.00200 1.000 C2 C -3.19700 -1.69300 -0.00100 1.000 C3 C -2.34000 -0.58000 -0.00100 1.000 C4 C -2.89000 0.72200 0.00100 1.000 C5 C -4.27500 0.89000 0.00400 1.000 N6 N -2.67200 -2.98500 -0.00200 1.000 C7 C -1.97600 1.87000 0.00100 1.000 N8 N -0.64600 1.64500 -0.00200 1.000 O9 O -2.41100 3.00800 0.00200 1.000 C10 C 1.33200 0.18500 -0.00600 1.000 C11 C 2.17700 1.29700 -0.00600 1.000 C12 C 3.54500 1.12000 -0.00200 1.000 C13 C 4.08100 -0.15800 0.00100 1.000 C14 C 3.24800 -1.26400 0.00100 1.000 C15 C 1.87800 -1.10000 -0.00200 1.000 Cl16 Cl 5.80300 -0.37300 0.00500 1.000 C17 C -0.13400 0.36800 -0.00400 1.000 C18 C -0.93200 -0.72800 -0.00300 1.000 H19 H -6.17000 -0.08200 0.00200 1.000 H20 H -5.22800 -2.35100 0.00300 1.000 H21 H -4.70100 1.88200 0.00600 1.000 H22 H -3.26700 -3.75100 -0.00100 1.000 H23 H -1.71100 -3.11800 -0.00400 1.000 H24 H -0.49300 -1.71500 -0.00500 1.000 H25 H -0.03700 2.40000 -0.00200 1.000 H26 H 1.76100 2.29300 -0.00900 1.000 H27 H 1.23000 -1.96300 -0.00200 1.000 H28 H 4.20000 1.97800 -0.00300 1.000 H29 H 3.67100 -2.25700 0.00200 1.000