# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C85' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 5.19600 -2.10700 0.64000 1.000 S1 S 5.36200 -0.81000 0.08300 1.000 O2 O 6.24600 0.16200 0.62500 1.000 N3 N 5.82100 -1.03300 -1.49200 1.000 C4 C 3.76300 -0.07000 0.06000 1.000 C5 C 2.63400 -0.87000 0.05800 1.000 C6 C 1.37900 -0.29800 0.04000 1.000 C7 C 1.25000 1.09300 0.02400 1.000 C8 C 2.39400 1.89500 0.02600 1.000 C9 C 3.64200 1.30900 0.05000 1.000 C10 C -0.09000 1.71300 0.00400 1.000 O11 O -1.26000 1.04900 0.00000 1.000 C12 C -0.34500 3.05500 -0.00800 1.000 C13 C -1.73400 3.20900 -0.02500 1.000 C14 C -2.27700 1.93700 -0.02000 1.000 C15 C -3.65400 1.62200 -0.02900 1.000 C16 C -4.05500 0.31800 -0.01800 1.000 S17 S -3.03300 -1.13200 0.00900 1.000 C18 C -4.39200 -2.26900 0.00900 1.000 N19 N -4.31800 -3.57200 0.02600 1.000 N20 N -5.53500 -1.51400 -0.01100 1.000 C21 C -5.42400 -0.19600 -0.01900 1.000 O22 O -6.39500 0.53800 -0.03100 1.000 H23 H 5.23000 -0.76400 -2.21300 1.000 H24 H 6.68200 -1.43300 -1.69400 1.000 H25 H 4.52800 1.92700 0.05600 1.000 H26 H 2.73600 -1.94500 0.07000 1.000 H27 H 2.30100 2.97000 0.01300 1.000 H28 H 0.49900 -0.92400 0.03800 1.000 H29 H 0.38800 3.84700 -0.00400 1.000 H30 H -2.27900 4.14200 -0.03700 1.000 H31 H -4.38900 2.41300 -0.04500 1.000 H32 H -6.40700 -1.93700 -0.01500 1.000 H33 H -5.12900 -4.10300 0.02400 1.000