# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COC' 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 3.63300 0.33500 -0.06100 1.000 O1 O 2.32400 -0.27300 -0.21100 1.000 C2 C 1.74900 -0.33800 -1.42200 1.000 O3 O 2.32000 0.11100 -2.38700 1.000 C4 C 0.39000 -0.97000 -1.57800 1.000 C5 C -0.03900 -0.91000 -3.05200 1.000 N6 N 0.01400 0.51900 -3.46700 1.000 C7 C -0.29400 0.55400 -4.90200 1.000 C8 C -1.56900 -1.26200 -3.11500 1.000 C9 C -2.28900 0.08900 -2.93500 1.000 C10 C -1.15300 1.12500 -2.77400 1.000 C11 C -0.80300 1.21000 -1.28000 1.000 C12 C -0.63100 -0.20700 -0.73000 1.000 O13 O -0.16300 -0.13800 0.64300 1.000 C14 C -1.05100 -0.09000 1.65500 1.000 O15 O -2.24200 -0.10400 1.41900 1.000 C16 C -0.57500 -0.02000 3.05200 1.000 C17 C -1.49200 0.03000 4.10300 1.000 C18 C -1.04100 0.09500 5.40500 1.000 C19 C 0.31600 0.11100 5.67000 1.000 C20 C 1.23000 0.06100 4.63300 1.000 C21 C 0.79300 -0.00900 3.32600 1.000 H22 H 4.35800 -0.20500 -0.66800 1.000 H23 H 3.59000 1.37500 -0.38700 1.000 H24 H 3.93500 0.29600 0.98500 1.000 H25 H 0.43200 -2.01000 -1.25200 1.000 H26 H 0.55900 -1.55800 -3.69300 1.000 H27 H -0.26700 1.58500 -5.25500 1.000 H28 H 0.44300 -0.03400 -5.44700 1.000 H29 H -1.28700 0.13900 -5.07100 1.000 H30 H -1.84000 -1.94600 -2.31100 1.000 H31 H -1.81500 -1.69700 -4.08300 1.000 H32 H -2.91500 0.07000 -2.04300 1.000 H33 H -2.89000 0.31900 -3.81500 1.000 H34 H -1.42000 2.09700 -3.18900 1.000 H35 H -1.60800 1.71500 -0.74400 1.000 H36 H 0.12500 1.76600 -1.15400 1.000 H37 H -1.58800 -0.72700 -0.76100 1.000 H38 H -2.55200 0.01800 3.89800 1.000 H39 H -1.75000 0.13400 6.21900 1.000 H40 H 0.66400 0.16200 6.69100 1.000 H41 H 2.28900 0.07500 4.84700 1.000 H42 H 1.50800 -0.04700 2.51800 1.000