# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9CR' 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 4.04300 0.30600 -0.92500 1.000 C1 C 4.32800 1.79700 -1.11500 1.000 C2 C 4.66100 2.40800 0.25100 1.000 C3 C 3.39500 2.39400 1.11100 1.000 C4 C 2.77200 1.02900 1.09100 1.000 C5 C 3.05500 0.10600 0.18700 1.000 C6 C 2.38800 -1.14200 0.27400 1.000 C7 C 1.03200 -1.19300 0.22100 1.000 C8 C 0.37300 -2.43600 0.23000 1.000 C9 C -0.98900 -2.48600 0.17700 1.000 C10 C -1.73300 -1.29900 0.11200 1.000 C11 C -3.09600 -1.35000 0.05900 1.000 C12 C -3.84100 -0.16200 -0.00600 1.000 C13 C -5.20200 -0.21300 -0.05900 1.000 C14 C -5.94400 0.96600 -0.27700 1.000 C15 C 5.34500 -0.42000 -0.58000 1.000 C16 C 3.47000 -0.27100 -2.22200 1.000 C17 C 1.76500 0.69100 2.16100 1.000 C18 C 1.17300 -3.71100 0.30000 1.000 C19 C -3.13500 1.16900 -0.01600 1.000 O20 O -5.36800 2.00900 -0.52900 1.000 O21 O -7.29200 0.93900 -0.20600 1.000 H22 H 5.17400 1.92500 -1.79000 1.000 H23 H 3.44900 2.28700 -1.53400 1.000 H24 H 5.43900 1.81800 0.73600 1.000 H25 H 5.00600 3.43300 0.11900 1.000 H26 H 3.65300 2.65800 2.13700 1.000 H27 H 2.68400 3.12000 0.71900 1.000 H28 H 2.95900 -2.05300 0.38200 1.000 H29 H 0.45900 -0.27900 0.17100 1.000 H30 H -1.49400 -3.44100 0.18400 1.000 H31 H -1.22700 -0.34500 0.10500 1.000 H32 H -3.60200 -2.30400 0.06700 1.000 H33 H -5.71300 -1.15600 0.06600 1.000 H34 H 6.06300 -0.28200 -1.38800 1.000 H35 H 5.75500 -0.01000 0.34400 1.000 H36 H 5.14500 -1.48300 -0.44900 1.000 H37 H 4.15100 -0.05800 -3.04600 1.000 H38 H 3.35000 -1.34900 -2.11800 1.000 H39 H 2.50100 0.18400 -2.42500 1.000 H40 H 1.59500 1.56500 2.78900 1.000 H41 H 0.82700 0.39000 1.69500 1.000 H42 H 2.14600 -0.12700 2.77200 1.000 H43 H 1.32400 -3.98900 1.34300 1.000 H44 H 0.63300 -4.50700 -0.21300 1.000 H45 H 2.14000 -3.56100 -0.18000 1.000 H46 H -3.00400 1.50300 -1.04500 1.000 H47 H -3.73100 1.90100 0.53000 1.000 H48 H -2.16000 1.06800 0.46000 1.000 H49 H -7.71200 1.79400 -0.37000 1.000