# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JRD' 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 1.91900 2.89700 -0.46500 1.000 C1 C 0.98800 2.12200 -0.41900 1.000 C2 C -0.33700 2.56700 0.14600 1.000 C3 C -0.23600 4.02700 0.59200 1.000 N4 N 1.13500 0.86300 -0.87800 1.000 C5 C 2.42100 0.43200 -1.43300 1.000 C6 C 3.27800 -0.13800 -0.33100 1.000 O7 O 4.14100 0.53400 0.44300 1.000 N8 N 4.68400 -0.19500 1.24000 1.000 C9 C 4.27500 -1.42500 1.12000 1.000 C10 C 4.72300 -2.60900 1.93800 1.000 C11 C 3.32200 -1.42900 0.07500 1.000 C12 C 0.06900 -0.02600 -0.82500 1.000 S13 S 0.10600 -1.69600 -1.38200 1.000 C14 C -1.57800 -1.89400 -0.90500 1.000 C15 C -2.00800 -0.72900 -0.38700 1.000 N16 N -1.10800 0.24400 -0.35200 1.000 C17 C -3.39100 -0.54800 0.11700 1.000 C18 C -3.78800 0.67900 0.64600 1.000 C19 C -5.07600 0.84200 1.11200 1.000 C20 C -5.97300 -0.21000 1.05700 1.000 C21 C -5.58500 -1.43000 0.53400 1.000 C22 C -4.30000 -1.60300 0.05900 1.000 H23 H -1.10800 2.47300 -0.61900 1.000 H24 H -0.59500 1.94300 1.00100 1.000 H25 H 0.53500 4.12100 1.35700 1.000 H26 H 0.02300 4.65100 -0.26300 1.000 H27 H 2.25100 -0.33100 -2.19300 1.000 H28 H 2.92800 1.28600 -1.88200 1.000 H29 H 4.08100 -2.71100 2.81200 1.000 H30 H 4.65900 -3.51400 1.33200 1.000 H31 H 5.75400 -2.46000 2.25900 1.000 H32 H 2.76400 -2.26800 -0.31200 1.000 H33 H -2.16500 -2.79400 -1.01100 1.000 H34 H -3.08900 1.50100 0.68900 1.000 H35 H -5.38500 1.79300 1.52200 1.000 H36 H -6.98000 -0.07800 1.42500 1.000 H37 H -6.28900 -2.24800 0.49400 1.000 H38 H -3.99800 -2.55600 -0.34900 1.000 H39 H -1.19400 4.34900 1.00000 1.000