# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C72' 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 0.47400 0.33700 0.08900 1.000 C1 C 1.61100 -0.35500 0.02800 1.000 S2 S 1.30300 -2.08000 -0.01400 1.000 C3 C -0.43500 -1.84000 0.05400 1.000 C4 C -0.72700 -0.47500 0.10600 1.000 C5 C -1.51000 -2.76500 0.06500 1.000 C6 C -2.81400 -2.28300 0.12600 1.000 N7 N -3.05500 -0.98700 0.17400 1.000 C8 C -2.09000 -0.08600 0.17000 1.000 N9 N -2.41300 1.25600 0.22800 1.000 C10 C 2.95800 0.25400 -0.00100 1.000 C11 C -1.25000 -4.21200 0.01100 1.000 C12 C -3.81700 1.67000 0.29500 1.000 C13 C -4.39400 1.74700 -1.12000 1.000 N14 N -5.79600 2.18200 -1.05500 1.000 C15 C -5.90900 3.52300 -0.46700 1.000 C16 C -5.37700 3.49800 0.96800 1.000 C17 C -3.91400 3.04700 0.95700 1.000 C18 C 3.10100 1.64200 0.04100 1.000 C19 C 4.36000 2.20400 0.01400 1.000 C20 C 5.48200 1.39500 -0.05600 1.000 C21 C 5.34600 0.01800 -0.09900 1.000 C22 C 4.09300 -0.55700 -0.06600 1.000 Cl23 Cl 7.06300 2.11000 -0.09200 1.000 N24 N -2.27900 -5.08200 0.02200 1.000 O25 O -0.10600 -4.62300 -0.04300 1.000 H26 H 0.44800 1.41600 0.12600 1.000 H27 H -3.63900 -2.97900 0.13400 1.000 H28 H -1.71000 1.92500 0.22500 1.000 H29 H -4.38300 0.94500 0.88000 1.000 H30 H -3.81900 2.46300 -1.70800 1.000 H31 H -4.34000 0.76500 -1.58900 1.000 H32 H -6.22700 2.15000 -1.96700 1.000 H33 H -5.32700 4.22900 -1.05800 1.000 H34 H -6.95500 3.82900 -0.46100 1.000 H35 H -5.44700 4.49700 1.39900 1.000 H36 H -5.96800 2.80200 1.56300 1.000 H37 H -3.54300 2.98700 1.98000 1.000 H38 H -3.31600 3.76400 0.39400 1.000 H39 H 2.22700 2.27400 0.09500 1.000 H40 H 4.47200 3.27800 0.04600 1.000 H41 H 6.22500 -0.60900 -0.15300 1.000 H42 H 3.98900 -1.63100 -0.09400 1.000 H43 H -3.19100 -4.75500 0.06400 1.000 H44 H -2.10800 -6.03700 -0.01400 1.000