# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C49' 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 5.65600 -0.77600 -3.40900 1.000 O1 O 6.05000 -0.01900 -4.64300 1.000 O2 O 5.60500 -2.38400 -3.57100 1.000 O3 O 6.62900 -0.56200 -2.13500 1.000 O4 O 4.19600 -0.40400 -2.81600 1.000 C5 C 3.74800 -1.07500 -1.65200 1.000 C6 C 2.36600 -0.55800 -1.29500 1.000 O7 O 1.45000 -0.84000 -2.36600 1.000 C8 C 1.77500 -1.21900 -0.06000 1.000 O9 O 2.22300 -0.59600 1.12500 1.000 C10 C 0.29700 -1.01500 -0.29500 1.000 C11 C 0.19000 -1.22700 -1.79400 1.000 N12 N -0.86300 -0.46000 -2.39400 1.000 C13 C -0.51600 0.84500 -2.82300 1.000 O14 O 0.57700 1.38000 -2.61800 1.000 N15 N -1.49100 1.50700 -3.56400 1.000 C16 C -2.79000 1.11100 -3.74000 1.000 N17 N -3.57400 1.75900 -4.53600 1.000 C18 C -3.25400 -0.05500 -2.91400 1.000 C19 C -2.13700 -1.04000 -2.57200 1.000 C20 C -3.83300 0.50900 -1.60900 1.000 F21 F -4.28300 -0.67900 -3.56600 1.000 S22 S -2.51900 -2.67400 -2.36600 1.000 H23 H 6.36600 -2.84400 -3.98500 1.000 H24 H 7.59900 -0.63800 -2.26100 1.000 H25 H 3.70700 -2.14700 -1.84800 1.000 H26 H 4.44300 -0.87800 -0.83400 1.000 H27 H 2.41900 0.53000 -1.17300 1.000 H28 H 2.01300 -2.28800 -0.02100 1.000 H29 H 1.96900 -1.18000 1.85700 1.000 H30 H -0.32900 -1.70500 0.27900 1.000 H31 H -0.00100 0.00100 -0.00300 1.000 H32 H 0.02000 -2.28000 -2.03900 1.000 H33 H -1.20900 2.37200 -4.01700 1.000 H34 H -4.91100 0.33100 -1.55900 1.000 H35 H -3.36400 0.03400 -0.74300 1.000 H36 H -3.65900 1.58800 -1.54700 1.000 H37 H -4.51200 1.34800 -4.49400 1.000