# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0PJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 3.42200 0.75600 -0.92100 1.000 O1 O 2.90600 0.03900 -1.75600 1.000 O2 O 4.62800 0.43900 -0.41400 1.000 C3 C 5.25400 -0.77300 -0.91200 1.000 C4 C 6.58800 -0.96400 -0.23600 1.000 C5 C 6.66900 -1.68100 0.94200 1.000 C6 C 7.89200 -1.85600 1.56200 1.000 C7 C 9.03400 -1.31400 1.00300 1.000 C8 C 8.95300 -0.59700 -0.17600 1.000 C9 C 7.73100 -0.42600 -0.79800 1.000 N10 N 2.78900 1.87100 -0.50600 1.000 C11 C 1.47900 2.21900 -1.06100 1.000 P12 P 0.16600 1.59000 0.03600 1.000 O13 O 0.31100 2.19800 1.37800 1.000 O14 O 0.29000 -0.01100 0.15700 1.000 N15 N -1.33900 1.99000 -0.60200 1.000 C16 C -2.42200 1.39700 0.19400 1.000 C17 C -2.85300 0.09600 -0.43500 1.000 O18 O -2.31000 -0.29800 -1.44500 1.000 C19 C -3.61000 2.36000 0.23600 1.000 C20 C -3.20100 3.64200 0.96500 1.000 C21 C -4.33900 4.66100 0.88300 1.000 C22 C -2.90700 3.32300 2.43200 1.000 N23 N -3.84000 -0.62900 0.12700 1.000 C24 C -4.25900 -1.89300 -0.48400 1.000 C25 C -5.27200 -1.61800 -1.56500 1.000 O26 O -5.61000 -0.48200 -1.80100 1.000 C27 C -4.88400 -2.79300 0.58400 1.000 C28 C -3.82800 -3.15300 1.63000 1.000 C29 C -4.48400 -3.93300 2.77100 1.000 C30 C -2.74200 -4.01500 0.98300 1.000 O31 O -5.79900 -2.63400 -2.26500 1.000 H32 H 4.61300 -1.62800 -0.69700 1.000 H33 H 5.40100 -0.69100 -1.98900 1.000 H34 H 5.77700 -2.10500 1.37900 1.000 H35 H 7.95600 -2.41600 2.48400 1.000 H36 H 9.99000 -1.44900 1.48800 1.000 H37 H 9.84500 -0.17200 -0.61300 1.000 H38 H 7.66800 0.13100 -1.72100 1.000 H39 H 3.20100 2.44300 0.16000 1.000 H40 H 1.39500 3.30300 -1.14300 1.000 H41 H 1.37200 1.77100 -2.04900 1.000 H42 H 0.20400 -0.47700 -0.68600 1.000 H43 H -1.40700 1.71200 -1.56900 1.000 H44 H -2.06900 1.21100 1.20800 1.000 H45 H -3.91700 2.60300 -0.78100 1.000 H46 H -4.44000 1.89100 0.76500 1.000 H47 H -2.30800 4.05700 0.49700 1.000 H48 H -5.23200 4.24600 1.35100 1.000 H49 H -4.04800 5.57400 1.40200 1.000 H50 H -4.54900 4.88800 -0.16200 1.000 H51 H -2.09500 2.59700 2.49000 1.000 H52 H -2.61500 4.23600 2.95100 1.000 H53 H -3.79900 2.90800 2.90000 1.000 H54 H -4.27400 -0.31400 0.93500 1.000 H55 H -3.39200 -2.39200 -0.91700 1.000 H56 H -5.70800 -2.26600 1.06600 1.000 H57 H -5.25900 -3.70400 0.11800 1.000 H58 H -3.38000 -2.24000 2.02400 1.000 H59 H -5.31500 -3.35400 3.17600 1.000 H60 H -4.85500 -4.88500 2.39400 1.000 H61 H -3.75100 -4.11400 3.55700 1.000 H62 H -2.27400 -3.45900 0.17000 1.000 H63 H -1.98900 -4.27100 1.72800 1.000 H64 H -3.18900 -4.92700 0.58900 1.000 H65 H -6.44500 -2.40800 -2.94900 1.000