# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -4.60900 -0.19100 -0.00000 1.000 C1 C -3.83800 -1.27300 -0.00100 1.000 N2 N -2.51400 -1.19500 -0.00100 1.000 C3 C -1.90200 -0.01700 -0.00100 1.000 C4 C -2.68800 1.16000 -0.00100 1.000 C5 C -4.08600 1.02100 -0.00000 1.000 N6 N -0.52600 0.05800 -0.00100 1.000 C7 C 1.73900 -0.81300 -0.00000 1.000 C8 C 2.41000 -0.65000 1.19700 1.000 C9 C 3.75500 -0.32900 1.19700 1.000 C10 C 4.42800 -0.17200 0.00000 1.000 C11 C 3.75700 -0.33600 -1.19700 1.000 C12 C 2.41200 -0.65600 -1.19700 1.000 S13 S 6.14200 0.23800 0.00100 1.000 O14 O 6.40600 0.85700 -1.25100 1.000 O15 O 6.40400 0.86400 1.24800 1.000 N16 N 6.98700 -1.18700 0.00600 1.000 C17 C -2.06300 2.48100 -0.00000 1.000 O18 O -2.75400 3.47900 -0.00000 1.000 Cl19 Cl -5.11000 2.42300 0.00000 1.000 S20 S -4.59800 -2.86200 -0.00100 1.000 C21 C -6.34200 -2.37600 0.00000 1.000 C22 C 0.27400 -1.16900 -0.00000 1.000 H23 H -0.08800 0.92300 -0.00100 1.000 H24 H 1.88400 -0.77300 2.13200 1.000 H25 H 4.27900 -0.20100 2.13300 1.000 H26 H 4.28300 -0.21300 -2.13200 1.000 H27 H 1.88800 -0.78400 -2.13300 1.000 H28 H 7.86000 -1.23400 -0.41300 1.000 H29 H 6.60800 -1.97400 0.42800 1.000 H30 H -0.98700 2.57000 -0.00000 1.000 H31 H -6.96800 -3.26900 0.00000 1.000 H32 H -6.55400 -1.78400 0.89100 1.000 H33 H -6.55500 -1.78400 -0.89000 1.000 H34 H 0.04300 -1.75400 0.89000 1.000 H35 H 0.04300 -1.75400 -0.89000 1.000