# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C2E' 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 0.81800 2.31000 0.54900 1.000 O1 O 1.04200 2.70700 -0.99400 1.000 O2 O 0.59400 3.53600 1.34700 1.000 O3 O -0.46500 1.34700 0.67400 1.000 C4 C -1.80500 1.79400 0.46500 1.000 C5 C -2.78500 0.79900 1.09000 1.000 O6 O -4.11000 1.33200 1.03500 1.000 C7 C -2.77800 -0.51600 0.29500 1.000 O8 O -2.12700 -1.54800 1.04000 1.000 C9 C -4.26400 -0.86200 0.08500 1.000 O10 O -4.57600 -2.10900 0.70900 1.000 C11 C -5.03900 0.28100 0.76000 1.000 N12 N -6.08900 0.76800 -0.13900 1.000 C13 C -5.99000 1.82400 -0.99800 1.000 N14 N -7.11000 1.97500 -1.64100 1.000 C15 C -7.99200 1.02900 -1.23600 1.000 C16 C -9.32700 0.71500 -1.58000 1.000 O17 O -9.92700 1.36900 -2.41600 1.000 N18 N -9.92200 -0.32800 -0.95900 1.000 C19 C -9.24100 -1.05200 -0.02600 1.000 N20 N -9.87000 -2.10600 0.58800 1.000 N21 N -8.00000 -0.77100 0.30200 1.000 C22 C -7.34500 0.24400 -0.27500 1.000 P23 P -0.79700 -2.30000 0.53100 1.000 O24 O -0.91800 -2.59300 -1.04800 1.000 O25 O -0.64500 -3.58000 1.25900 1.000 O26 O 0.48800 -1.37100 0.80700 1.000 C27 C 1.83000 -1.80700 0.58800 1.000 C28 C 2.80900 -0.79600 1.18900 1.000 O29 O 4.13800 -1.31900 1.13300 1.000 C30 C 2.78500 0.50500 0.37300 1.000 O31 O 2.12200 1.54200 1.10100 1.000 C32 C 4.26700 0.86900 0.16100 1.000 O33 O 4.56800 2.11400 0.79500 1.000 C34 C 5.05700 -0.27100 0.82200 1.000 N35 N 6.08100 -0.76600 -0.10200 1.000 C36 C 5.95500 -1.82600 -0.95300 1.000 N37 N 7.05700 -1.98400 -1.62500 1.000 C38 C 7.95300 -1.03900 -1.24900 1.000 C39 C 9.28000 -0.73100 -1.63000 1.000 O40 O 9.85500 -1.39100 -2.47900 1.000 N41 N 9.89400 0.31300 -1.03100 1.000 C42 C 9.24100 1.04400 -0.08400 1.000 N43 N 9.89000 2.09900 0.50700 1.000 N44 N 8.00900 0.76800 0.27900 1.000 C45 C 7.33500 -0.24600 -0.27500 1.000 H46 H 0.29500 3.17400 -1.39300 1.000 H47 H -1.93700 2.77200 0.92900 1.000 H48 H -2.00000 1.87100 -0.60400 1.000 H49 H -2.50700 0.60700 2.12500 1.000 H50 H -2.28400 -0.37900 -0.66900 1.000 H51 H -4.49700 -0.90200 -0.97900 1.000 H52 H -5.50000 -2.37800 0.60900 1.000 H53 H -5.48400 -0.07200 1.69000 1.000 H54 H -5.11300 2.44200 -1.12400 1.000 H55 H -10.83700 -0.56300 -1.17900 1.000 H56 H -10.78600 -2.32600 0.35600 1.000 H57 H -9.39900 -2.63100 1.25400 1.000 H58 H -0.15100 -3.04600 -1.42400 1.000 H59 H 1.97700 -2.77800 1.06000 1.000 H60 H 2.01300 -1.89500 -0.48300 1.000 H61 H 2.53900 -0.58700 2.22300 1.000 H62 H 2.29800 0.34500 -0.59100 1.000 H63 H 4.49600 0.92100 -0.90300 1.000 H64 H 5.48800 2.39400 0.69500 1.000 H65 H 5.53000 0.08900 1.73600 1.000 H66 H 5.07300 -2.44100 -1.05200 1.000 H67 H 10.80400 0.54300 -1.27600 1.000 H68 H 10.80000 2.31500 0.25000 1.000 H69 H 9.43900 2.62800 1.18300 1.000