# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '6OO' 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 -2.46500 1.06800 -0.54000 1.000 C1 C -4.48300 2.09800 -0.08700 1.000 C2 C -4.66100 1.25400 1.02800 1.000 C3 C -3.71100 0.33100 1.31000 1.000 O4 O -1.46900 0.98000 -1.23900 1.000 P5 P 3.89800 1.09800 0.00200 1.000 S6 S 5.46300 -0.29700 -0.30500 1.000 O7 O 3.57200 1.76400 -1.28000 1.000 O8 O 2.59500 0.33000 0.55400 1.000 C9 C 1.87700 -0.63700 -0.21400 1.000 C10 C 0.70000 -1.16800 0.60500 1.000 O11 O -0.26100 -0.12000 0.81700 1.000 C12 C -0.01100 -2.29600 -0.16800 1.000 O13 O 0.02300 -3.51400 0.57900 1.000 C14 C -1.46700 -1.79400 -0.31800 1.000 O15 O -2.39800 -2.85800 -0.10900 1.000 C16 C -1.56600 -0.73800 0.81800 1.000 C17 C -2.76700 -3.55000 -1.30400 1.000 N18 N -2.60600 0.24800 0.51800 1.000 N19 N -3.39300 1.97800 -0.83400 1.000 N20 N -5.43200 3.04500 -0.39700 1.000 O21 O 4.36600 2.20200 1.07600 1.000 H22 H -5.54300 1.34000 1.64600 1.000 H23 H -3.82400 -0.32700 2.15900 1.000 H24 H 5.65100 -0.81700 0.92100 1.000 H25 H 1.50400 -0.17200 -1.12700 1.000 H26 H 2.54200 -1.46200 -0.47300 1.000 H27 H 1.05600 -1.54400 1.56500 1.000 H28 H 0.44900 -2.43700 -1.14600 1.000 H29 H 0.91600 -3.84300 0.75400 1.000 H30 H -1.62000 -1.33100 -1.29300 1.000 H31 H -1.76000 -1.22200 1.77600 1.000 H32 H -3.22900 -2.85100 -2.00100 1.000 H33 H -1.87800 -3.98500 -1.76100 1.000 H34 H -3.47500 -4.34200 -1.06000 1.000 H35 H -6.22600 3.13300 0.15300 1.000 H36 H -5.30700 3.62400 -1.16500 1.000 H37 H 5.14700 2.70500 0.80800 1.000