# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0PK' 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 3.07200 -0.18600 0.41300 1.000 O1 O 2.86400 -0.22900 1.60900 1.000 O2 O 4.19900 -0.72100 -0.09400 1.000 C3 C 5.12000 -1.33200 0.84800 1.000 C4 C 6.31400 -1.87100 0.10400 1.000 C5 C 7.42100 -1.06900 -0.10300 1.000 C6 C 8.51600 -1.56400 -0.78500 1.000 C7 C 8.50600 -2.86200 -1.26000 1.000 C8 C 7.40000 -3.66500 -1.05300 1.000 C9 C 6.30600 -3.17100 -0.36700 1.000 N10 N 2.17200 0.39100 -0.40700 1.000 C11 C 0.94200 0.96700 0.14300 1.000 P12 P -0.46300 -0.13500 -0.22300 1.000 O13 O -0.17100 -1.49300 0.28900 1.000 O14 O -0.69300 -0.20000 -1.81500 1.000 C15 C 0.69400 2.33800 -0.48900 1.000 C16 C 1.79100 3.28700 -0.07900 1.000 C17 C 2.96600 3.33900 -0.80400 1.000 C18 C 1.61800 4.10900 1.01800 1.000 C19 C 3.97200 4.20900 -0.42800 1.000 C20 C 2.62400 4.97900 1.39400 1.000 C21 C 3.80200 5.02800 0.67200 1.000 N22 N -1.85000 0.45900 0.52100 1.000 C23 C -2.97900 -0.46400 0.34300 1.000 C24 C -4.25200 0.32600 0.17400 1.000 O25 O -4.30900 1.47400 0.56100 1.000 C26 C -3.09900 -1.36800 1.57100 1.000 C27 C -4.21500 -2.38900 1.34600 1.000 C28 C -3.81800 -3.33800 0.21400 1.000 C29 C -4.43900 -3.19200 2.63000 1.000 N30 N -5.32600 -0.24300 -0.40700 1.000 C31 C -6.52300 0.55700 -0.67800 1.000 C32 C -7.72900 -0.34500 -0.73400 1.000 O33 O -7.60200 -1.53400 -0.56400 1.000 C34 C -6.36200 1.27700 -2.01900 1.000 O35 O -8.94400 0.17400 -0.97100 1.000 H36 H 5.44900 -0.58500 1.57000 1.000 H37 H 4.61900 -2.14600 1.37000 1.000 H38 H 7.42900 -0.05400 0.26900 1.000 H39 H 9.38000 -0.93600 -0.94700 1.000 H40 H 9.36100 -3.24800 -1.79400 1.000 H41 H 7.39100 -4.67900 -1.42500 1.000 H42 H 5.44300 -3.79900 -0.20200 1.000 H43 H 2.33800 0.42500 -1.36200 1.000 H44 H 1.04500 1.07800 1.22300 1.000 H45 H -0.89000 0.65700 -2.21900 1.000 H46 H 0.68400 2.24100 -1.57500 1.000 H47 H -0.26700 2.72500 -0.15100 1.000 H48 H 3.09900 2.69900 -1.66400 1.000 H49 H 0.69800 4.07200 1.58200 1.000 H50 H 4.89100 4.24900 -0.99500 1.000 H51 H 2.49000 5.62200 2.25200 1.000 H52 H 4.58800 5.70700 0.96600 1.000 H53 H -2.07800 1.38000 0.17900 1.000 H54 H -2.81200 -1.07600 -0.54400 1.000 H55 H -2.15600 -1.89000 1.73200 1.000 H56 H -3.33300 -0.76100 2.44700 1.000 H57 H -5.13500 -1.87000 1.07800 1.000 H58 H -4.64000 -4.02400 0.00900 1.000 H59 H -3.59400 -2.76000 -0.68300 1.000 H60 H -2.93600 -3.90700 0.51000 1.000 H61 H -4.72200 -2.51600 3.43600 1.000 H62 H -5.23400 -3.92000 2.47000 1.000 H63 H -3.51900 -3.71200 2.89800 1.000 H64 H -5.30700 -1.18300 -0.64600 1.000 H65 H -6.65500 1.29300 0.11500 1.000 H66 H -5.49000 1.92900 -1.97900 1.000 H67 H -6.23000 0.54200 -2.81200 1.000 H68 H -7.25200 1.87300 -2.22000 1.000 H69 H -9.68700 -0.44400 -0.99700 1.000