# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2DA' 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 0.64400 -0.20500 -4.72100 1.000 O1 O 1.68900 0.77400 -4.35000 1.000 O2 O 1.32700 -1.47000 -5.44600 1.000 O3 O -0.40700 0.48500 -5.72500 1.000 O4 O -0.12400 -0.69700 -3.39500 1.000 C5 C -0.70600 0.46300 -2.80000 1.000 C6 C -1.45600 0.06300 -1.52700 1.000 O7 O -0.53700 -0.42500 -0.52300 1.000 C8 C -2.09900 1.30400 -0.85900 1.000 C9 C -2.22100 0.85200 0.61600 1.000 C10 C -1.19800 -0.29200 0.74600 1.000 N11 N -0.21800 0.03000 1.78500 1.000 C12 C 0.95600 0.69800 1.60700 1.000 N13 N 1.58000 0.81100 2.74300 1.000 C14 C 0.84500 0.23000 3.72100 1.000 C15 C 1.01300 0.04100 5.10400 1.000 N16 N 2.13800 0.51900 5.75200 1.000 N17 N 0.06300 -0.60200 5.77500 1.000 C18 C -1.01300 -1.06100 5.16400 1.000 N19 N -1.21000 -0.91300 3.87100 1.000 C20 C -0.31400 -0.28300 3.11800 1.000 H21 H 1.77600 -1.13200 -6.23300 1.000 H22 H -1.06900 -0.18500 -5.94200 1.000 H23 H -1.40200 0.92100 -3.50200 1.000 H24 H 0.07900 1.17600 -2.54900 1.000 H25 H -2.21300 -0.68800 -1.75000 1.000 H26 H -3.08000 1.51100 -1.28500 1.000 H27 H -1.44700 2.17400 -0.94600 1.000 H28 H -3.22800 0.48900 0.82100 1.000 H29 H -1.96500 1.67100 1.28800 1.000 H30 H -1.71100 -1.22100 0.99600 1.000 H31 H 1.31600 1.07800 0.66200 1.000 H32 H 2.24000 0.38600 6.70800 1.000 H33 H 2.82600 0.98400 5.25100 1.000 H34 H -1.76000 -1.57900 5.74700 1.000