# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0D3' 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 0.97700 0.44000 0.55000 1.000 O1 O 1.07200 -0.43800 1.38200 1.000 C2 C 2.21900 1.05600 -0.04000 1.000 C3 C 3.45600 0.40000 0.57600 1.000 C4 C 3.53100 -1.04000 0.14000 1.000 C5 C 4.07500 -1.36300 -1.09000 1.000 C6 C 4.14400 -2.68400 -1.49000 1.000 C7 C 3.66900 -3.68300 -0.66100 1.000 C8 C 3.12600 -3.36100 0.56800 1.000 C9 C 3.06100 -2.04000 0.97100 1.000 C10 C 2.23500 2.55600 0.25800 1.000 S11 S 3.63900 3.32700 -0.59300 1.000 N12 N -0.24000 0.85900 0.15000 1.000 C13 C -1.44700 0.25600 0.72000 1.000 C14 C -2.59000 0.40600 -0.25100 1.000 O15 O -2.41300 0.96100 -1.31500 1.000 C16 C -1.79800 0.96000 2.03300 1.000 N17 N -3.80800 -0.07800 0.06200 1.000 C18 C -4.91900 0.06700 -0.88200 1.000 C19 C -6.16100 -0.55400 -0.29600 1.000 O20 O -6.12200 -1.06700 0.80200 1.000 N21 N -7.31400 -0.53900 -0.99200 1.000 H22 H 2.22400 0.90000 -1.11900 1.000 H23 H 4.35000 0.92800 0.24400 1.000 H24 H 3.38900 0.44700 1.66300 1.000 H25 H 4.44600 -0.58200 -1.73700 1.000 H26 H 4.56900 -2.93600 -2.45100 1.000 H27 H 3.72200 -4.71500 -0.97400 1.000 H28 H 2.75400 -4.14100 1.21600 1.000 H29 H 2.64000 -1.78800 1.93300 1.000 H30 H 1.30600 3.00700 -0.09200 1.000 H31 H 2.33100 2.71200 1.33300 1.000 H32 H 3.52900 4.62200 -0.24700 1.000 H33 H -0.31600 1.56100 -0.51500 1.000 H34 H -1.26900 -0.80200 0.91100 1.000 H35 H -2.69600 0.51100 2.45700 1.000 H36 H -0.97200 0.85100 2.73500 1.000 H37 H -1.97600 2.01800 1.84100 1.000 H38 H -3.94900 -0.52300 0.91200 1.000 H39 H -5.09700 1.12500 -1.07300 1.000 H40 H -4.66900 -0.43400 -1.81700 1.000 H41 H -7.34600 -0.12800 -1.87100 1.000 H42 H -8.11400 -0.93800 -0.61500 1.000