# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'D3' 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 -1.56700 -0.32600 -6.76300 1.000 O1 O -2.28600 -1.30500 -5.91800 1.000 O2 O -2.60600 0.77500 -7.30900 1.000 O3 O -0.88800 -1.08700 -8.00800 1.000 O4 O -0.42500 0.39900 -5.89000 1.000 C5 C 0.46000 -0.62500 -5.43600 1.000 C6 C 1.57500 0.00000 -4.59500 1.000 O7 O 1.02100 0.65500 -3.43100 1.000 C8 C 2.50600 -1.09200 -4.02500 1.000 O9 O 3.68100 -1.21800 -4.82800 1.000 C10 C 2.86900 -0.58100 -2.61200 1.000 C11 C 2.11500 0.76200 -2.49500 1.000 N12 N 1.60800 0.94500 -1.13200 1.000 C13 C 2.26000 1.54100 -0.11000 1.000 N14 N 1.49900 1.52000 0.94700 1.000 C15 C 0.33400 0.91100 0.64400 1.000 C16 C 0.38700 0.54800 -0.66400 1.000 C17 C -0.80100 0.68400 1.57000 1.000 C18 C -0.56200 0.30700 2.88900 1.000 C19 C -1.62900 0.10100 3.75100 1.000 C20 C -2.93100 0.26100 3.29400 1.000 C21 C -3.16800 0.62900 1.98300 1.000 C22 C -2.11200 0.84100 1.12000 1.000 N23 N -1.39400 -0.27100 5.07800 1.000 C24 C -0.30400 0.18700 5.72400 1.000 O25 O 0.42000 1.00400 5.18900 1.000 C26 C 0.01000 -0.30000 7.08300 1.000 C27 C 1.13800 0.17300 7.75500 1.000 C28 C 1.42500 -0.28700 9.02400 1.000 C29 C 0.59800 -1.21600 9.63000 1.000 C30 C -0.52000 -1.69000 8.96900 1.000 C31 C -0.82300 -1.23300 7.70300 1.000 H32 H -3.27200 0.30000 -7.82500 1.000 H33 H -0.43100 -0.41400 -8.53200 1.000 H34 H 0.89600 -1.13500 -6.29500 1.000 H35 H -0.09200 -1.34100 -4.82900 1.000 H36 H 2.14700 0.71000 -5.19300 1.000 H37 H 1.98300 -2.04600 -3.96300 1.000 H38 H 4.23600 -1.89000 -4.40900 1.000 H39 H 2.52200 -1.28100 -1.85200 1.000 H40 H 3.94400 -0.42400 -2.52700 1.000 H41 H 2.77000 1.58900 -2.76900 1.000 H42 H 3.25200 1.96600 -0.16100 1.000 H43 H -0.38300 0.04000 -1.22300 1.000 H44 H 0.45000 0.18300 3.24100 1.000 H45 H -3.76100 0.09700 3.96600 1.000 H46 H -4.18200 0.75300 1.63300 1.000 H47 H -2.30000 1.13000 0.09700 1.000 H48 H -2.01500 -0.86000 5.53400 1.000 H49 H 1.78400 0.89700 7.28300 1.000 H50 H 2.29800 0.07800 9.54400 1.000 H51 H 0.82800 -1.57300 10.62300 1.000 H52 H -1.16200 -2.41500 9.44800 1.000 H53 H -1.69700 -1.60400 7.18900 1.000