# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C31' 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 -0.34500 0.41400 -4.75700 1.000 O1 O 0.56500 -0.08000 -5.98900 1.000 O2 O 0.07300 1.77400 -4.35000 1.000 O3 O -1.89000 0.44200 -5.21000 1.000 O4 O -0.16700 -0.59600 -3.51700 1.000 C5 C -0.99600 -0.10500 -2.46200 1.000 C6 C -0.87300 -1.02500 -1.24600 1.000 O7 O 0.48200 -1.02700 -0.76600 1.000 C8 C -1.76300 -0.50400 -0.10100 1.000 O9 O -2.74300 -1.48100 0.25700 1.000 C10 C -0.77800 -0.27000 1.06900 1.000 O11 O -1.34600 -0.70000 2.30700 1.000 C12 C 0.42100 -1.16600 0.66900 1.000 N13 N 1.65900 -0.68500 1.28700 1.000 C14 C 2.05700 0.58400 1.08600 1.000 O15 O 1.37800 1.32300 0.39400 1.000 N16 N 3.17500 1.04900 1.64100 1.000 C17 C 3.93300 0.26600 2.39800 1.000 N18 N 5.08800 0.75700 2.96100 1.000 C19 C 3.54600 -1.07000 2.62300 1.000 C20 C 2.40400 -1.52700 2.05800 1.000 C21 C -1.94800 0.44800 2.90600 1.000 C22 C -2.57900 0.05500 4.24400 1.000 C23 C -3.22400 1.28500 4.88500 1.000 N24 N -3.82900 0.90700 6.16900 1.000 H25 H 0.42900 0.55000 -6.70900 1.000 H26 H -2.12200 -0.46000 -5.46700 1.000 H27 H -2.03300 -0.08100 -2.79500 1.000 H28 H -0.67900 0.90100 -2.18900 1.000 H29 H -1.17100 -2.03800 -1.51600 1.000 H30 H -2.24500 0.43000 -0.38800 1.000 H31 H -3.32600 -1.58500 -0.50600 1.000 H32 H -0.48000 0.77700 1.12200 1.000 H33 H 0.23300 -2.20400 0.94700 1.000 H34 H 5.35100 1.67700 2.80400 1.000 H35 H 5.63900 0.18200 3.51500 1.000 H36 H 4.15100 -1.72000 3.23800 1.000 H37 H 2.08600 -2.54700 2.21600 1.000 H38 H -2.71900 0.84200 2.24300 1.000 H39 H -1.18800 1.21200 3.07400 1.000 H40 H -1.80900 -0.33800 4.90700 1.000 H41 H -3.33900 -0.70700 4.07600 1.000 H42 H -3.99400 1.67900 4.22200 1.000 H43 H -2.46400 2.04800 5.05200 1.000 H44 H -4.24000 1.74500 6.55400 1.000 H45 H -4.59200 0.28100 5.95700 1.000