# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P 4.44300 1.13400 0.03100 1.000 N1 N -2.06300 -0.46100 0.28900 1.000 C2 C -2.01500 -0.18300 -1.02700 1.000 O3 O -1.01600 -0.46100 -1.66200 1.000 N4 N -3.05700 0.39800 -1.65000 1.000 C5 C -4.17200 0.71300 -0.95900 1.000 O6 O -5.11500 1.23800 -1.52200 1.000 C7 C -4.23600 0.42600 0.42600 1.000 C8 C -3.17600 -0.15700 1.02500 1.000 C9 C -5.47000 0.76800 1.22000 1.000 C10 C -0.91500 -1.09900 0.93800 1.000 C11 C -0.71200 -2.51600 0.36800 1.000 C12 C 0.72800 -2.49300 -0.20100 1.000 O13 O 1.41200 -3.71300 0.09300 1.000 C14 C 1.36100 -1.30500 0.56600 1.000 O15 O 0.28100 -0.35200 0.66200 1.000 C16 C 2.53100 -0.71600 -0.22500 1.000 O17 O 3.16900 0.29900 0.55400 1.000 C18 C -5.39400 2.22500 1.67900 1.000 O19 O 5.51700 0.19700 -0.36700 1.000 O20 O 4.97600 2.09200 1.21000 1.000 O21 O 4.01400 2.03000 -1.23600 1.000 H22 H -3.00600 0.59200 -2.59900 1.000 H23 H -3.20600 -0.38400 2.08100 1.000 H24 H -6.35300 0.62800 0.59700 1.000 H25 H -5.53300 0.11500 2.09100 1.000 H26 H -1.08100 -1.15300 2.01400 1.000 H27 H -0.79800 -3.26200 1.15800 1.000 H28 H -1.43300 -2.71500 -0.42500 1.000 H29 H 0.71900 -2.30400 -1.27500 1.000 H30 H 0.99900 -4.49800 -0.29200 1.000 H31 H 1.68600 -1.61800 1.55800 1.000 H32 H 3.24900 -1.50400 -0.45300 1.000 H33 H 2.16000 -0.28200 -1.15300 1.000 H34 H -6.28600 2.47200 2.25300 1.000 H35 H -4.51000 2.36400 2.30200 1.000 H36 H -5.33000 2.87700 0.80800 1.000 H37 H 5.74400 2.62600 0.96500 1.000 H38 H 3.31200 2.66800 -1.04700 1.000