# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'PLS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -0.52900 0.42600 -1.72700 1.000 C1 C -1.69700 -0.05700 -2.47400 1.000 C2 C -2.81600 0.98200 -2.40100 1.000 O3 O -3.95300 0.51100 -3.12800 1.000 C4 C -1.31400 -0.28200 -3.91400 1.000 O5 O -1.87400 -1.13500 -4.56200 1.000 O6 O -0.35100 0.46300 -4.47700 1.000 N7 N 3.58500 0.44000 0.99200 1.000 C8 C 3.70600 0.21100 -0.30000 1.000 C9 C 5.04800 0.38000 -0.96500 1.000 C10 C 2.61000 -0.17700 -1.05600 1.000 O11 O 2.74000 -0.41200 -2.38800 1.000 C12 C 1.37800 -0.33400 -0.42800 1.000 C13 C 0.16300 -0.76200 -1.21000 1.000 C14 C 1.29600 -0.08300 0.93100 1.000 C15 C 2.43200 0.30600 1.61500 1.000 C16 C -0.01600 -0.23300 1.65500 1.000 O17 O 0.16300 0.08000 3.03700 1.000 P18 P -1.27100 -0.09900 3.74600 1.000 O19 O -1.73100 -1.49600 3.58100 1.000 O20 O -1.14100 0.24000 5.31400 1.000 O21 O -2.33500 0.89900 3.06600 1.000 H22 H -0.88400 0.92600 -0.92600 1.000 H23 H -2.04300 -0.99500 -2.04000 1.000 H24 H -3.09300 1.14500 -1.35900 1.000 H25 H -2.47000 1.92000 -2.83500 1.000 H26 H -4.63300 1.19500 -3.05600 1.000 H27 H -0.10500 0.31900 -5.40100 1.000 H28 H 5.59200 -0.56300 -0.93000 1.000 H29 H 4.90400 0.67800 -2.00300 1.000 H30 H 5.61900 1.14700 -0.44200 1.000 H31 H 2.56400 0.42500 -2.83800 1.000 H32 H 0.47000 -1.39400 -2.04300 1.000 H33 H -0.50900 -1.32000 -0.55900 1.000 H34 H 2.37300 0.50300 2.67600 1.000 H35 H -0.75100 0.44400 1.22100 1.000 H36 H -0.36900 -1.26000 1.55900 1.000 H37 H -2.02000 0.12000 5.70000 1.000 H38 H -1.99800 1.79600 3.19600 1.000