# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DUT' 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 -0.31700 0.51400 5.16600 1.000 C1 C -0.97200 -0.64800 4.99500 1.000 N2 N -2.07800 -0.93000 5.70800 1.000 C3 C -2.55400 -0.04200 6.60400 1.000 C4 C -1.87700 1.18700 6.79000 1.000 C5 C -0.76700 1.44200 6.06500 1.000 O6 O -0.55400 -1.45900 4.19100 1.000 O7 O -3.55800 -0.29400 7.24600 1.000 C8 C 0.88600 0.79100 4.37900 1.000 C9 C 1.96900 -0.27400 4.65900 1.000 C10 C 2.64500 -0.49200 3.28700 1.000 C11 C 1.89100 0.46400 2.33700 1.000 O12 O 0.60600 0.66900 2.96700 1.000 O13 O 4.03000 -0.14700 3.35000 1.000 C14 C 1.71300 -0.17300 0.95800 1.000 O15 O 0.95100 0.70100 0.12300 1.000 P16 P 0.80200 -0.02800 -1.30300 1.000 O17 O 2.14500 -0.26500 -1.87800 1.000 O18 O 0.04600 -1.43600 -1.10900 1.000 O19 O -0.04900 0.90600 -2.29800 1.000 P20 P -0.15800 0.11800 -3.69800 1.000 O21 O -0.83900 -1.17700 -3.48300 1.000 O22 O 1.31800 -0.14100 -4.28300 1.000 O23 O -1.00300 1.00100 -4.74600 1.000 P24 P -1.07100 0.15700 -6.11600 1.000 O25 O -1.73800 -1.13900 -5.86400 1.000 O26 O -1.90700 0.98500 -7.21500 1.000 O27 O 0.42000 -0.10300 -6.66100 1.000 H28 H -2.53600 -1.77500 5.57500 1.000 H29 H -2.24300 1.91000 7.50300 1.000 H30 H -0.23700 2.37400 6.19400 1.000 H31 H 1.26600 1.78700 4.60600 1.000 H32 H 1.51300 -1.19900 5.01100 1.000 H33 H 2.69200 0.09700 5.38600 1.000 H34 H 2.52500 -1.52600 2.96200 1.000 H35 H 2.42700 1.41000 2.25000 1.000 H36 H 4.44200 -0.75600 3.97800 1.000 H37 H 2.69000 -0.34500 0.50700 1.000 H38 H 1.18900 -1.12300 1.06200 1.000 H39 H -0.82200 -1.23700 -0.73300 1.000 H40 H 1.72600 0.72600 -4.40900 1.000 H41 H -1.92400 0.44600 -8.01800 1.000 H42 H 0.81800 0.76400 -6.81200 1.000