# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CND' 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 0.91800 0.96700 -2.24900 1.000 O1 O 1.53800 0.29400 -3.41200 1.000 O2 O 0.21600 2.33300 -2.73100 1.000 O3 O 2.05100 1.30200 -1.15600 1.000 C4 C 3.22600 2.05600 -1.45900 1.000 C5 C 4.08600 2.19000 -0.20000 1.000 O6 O 4.59100 0.90000 0.18500 1.000 C7 C 5.30200 3.09100 -0.49000 1.000 O8 O 5.29100 4.23600 0.36500 1.000 C9 C 6.52300 2.19200 -0.17600 1.000 O10 O 7.53700 2.93000 0.51000 1.000 C11 C 5.90400 1.11300 0.74800 1.000 N12 N 6.69200 -0.12000 0.70200 1.000 C13 C 6.50300 -1.16600 -0.15300 1.000 N14 N 7.38200 -2.09600 0.08300 1.000 C15 C 8.18800 -1.70800 1.10000 1.000 C16 C 9.28200 -2.28400 1.76900 1.000 N17 N 9.75300 -3.53400 1.41000 1.000 N18 N 9.85300 -1.59900 2.75500 1.000 C19 C 9.40900 -0.40500 3.10400 1.000 N20 N 8.38900 0.17200 2.50700 1.000 C21 C 7.75800 -0.43400 1.50600 1.000 O22 O -0.18800 -0.00300 -1.59500 1.000 P23 P -1.29700 -1.00200 -2.19900 1.000 O24 O -1.95100 -0.35600 -3.44100 1.000 O25 O -0.62600 -2.33300 -2.60400 1.000 O26 O -2.42500 -1.28700 -1.08600 1.000 C27 C -3.60200 -2.05400 -1.35000 1.000 C28 C -4.45600 -2.13000 -0.08300 1.000 O29 O -4.97100 -0.82600 0.26200 1.000 C30 C -5.73500 -2.96800 -0.33500 1.000 O31 O -5.48200 -4.35900 -0.12900 1.000 C32 C -6.70200 -2.41700 0.74100 1.000 O33 O -6.71200 -3.26900 1.88800 1.000 C34 C -6.12000 -1.03600 1.10000 1.000 C35 C -7.14700 0.03600 0.84000 1.000 C36 C -7.87800 0.57100 1.88600 1.000 C37 C -8.82100 1.56500 1.59500 1.000 C38 C -9.63000 2.17200 2.67400 1.000 O39 O -9.48000 1.80800 3.82400 1.000 N40 N -10.53400 3.12800 2.38200 1.000 C41 C -8.98300 1.97400 0.27100 1.000 N42 N -8.26200 1.43400 -0.68900 1.000 C43 C -7.36300 0.50000 -0.44500 1.000 H44 H -0.21200 2.82800 -2.01900 1.000 H45 H 3.79600 1.54500 -2.23500 1.000 H46 H 2.94100 3.04700 -1.81100 1.000 H47 H 3.49300 2.61300 0.61000 1.000 H48 H 5.31000 3.39700 -1.53600 1.000 H49 H 6.03500 4.83800 0.22600 1.000 H50 H 6.92000 1.74400 -1.08700 1.000 H51 H 7.89200 3.67400 0.00400 1.000 H52 H 5.82700 1.48300 1.77100 1.000 H53 H 5.73800 -1.21500 -0.91300 1.000 H54 H 9.32800 -4.02400 0.68900 1.000 H55 H 10.50900 -3.92100 1.87900 1.000 H56 H 9.90300 0.11700 3.91100 1.000 H57 H -4.17500 -1.57900 -2.14600 1.000 H58 H -3.31900 -3.06100 -1.65700 1.000 H59 H -3.87900 -2.54500 0.74400 1.000 H60 H -6.12500 -2.79000 -1.33700 1.000 H61 H -6.25200 -4.92500 -0.27500 1.000 H62 H -7.70800 -2.31500 0.33300 1.000 H63 H -7.01500 -4.16900 1.70600 1.000 H64 H -5.82200 -1.02000 2.14800 1.000 H65 H -7.72700 0.23100 2.89900 1.000 H66 H -10.65400 3.41800 1.46400 1.000 H67 H -11.06500 3.52600 3.08900 1.000 H68 H -9.70700 2.73900 0.03200 1.000 H69 H -8.39300 1.73500 -1.60200 1.000 H70 H -6.79000 0.08800 -1.26200 1.000