# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C0R' 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 3.05700 1.59300 0.44800 1.000 C1 C 4.53600 1.69500 0.07900 1.000 C2 C 5.19100 0.38300 0.46300 1.000 C3 C 4.52400 -0.84000 0.00400 1.000 C4 C 3.23100 -0.81300 -0.32000 1.000 C5 C 2.59700 -2.10400 -0.80500 1.000 C6 C 1.29000 -2.32900 -0.04200 1.000 C7 C 0.39300 -1.09900 -0.20600 1.000 C8 C 1.06600 0.10300 0.47400 1.000 C9 C 2.38500 0.40600 -0.24600 1.000 C10 C 0.17800 1.34400 0.43800 1.000 C11 C -1.21000 1.06900 1.03700 1.000 C12 C -1.82100 -0.07200 0.24300 1.000 C13 C -0.94100 -1.32400 0.50400 1.000 C14 C -1.80700 -2.46500 -0.01900 1.000 C15 C -3.27000 -1.99700 0.18600 1.000 C16 C -3.20500 -0.53800 0.70900 1.000 C17 C -1.84400 0.26800 -1.24800 1.000 C18 C 2.05700 0.82000 -1.68200 1.000 C19 C -4.32000 0.28800 0.12100 1.000 C20 C -5.62800 0.42200 0.85900 1.000 O21 O 6.21300 0.34600 1.11600 1.000 O22 O 0.02400 1.76500 -0.91900 1.000 O23 O -4.16600 0.84300 -0.94000 1.000 O24 O -6.51700 1.24800 0.10500 1.000 H25 H 2.96800 1.46800 1.52700 1.000 H26 H 2.55300 2.51400 0.15600 1.000 H27 H 4.99900 2.51500 0.62700 1.000 H28 H 4.64000 1.86000 -0.99400 1.000 H29 H 5.07900 -1.76300 -0.07100 1.000 H30 H 3.27600 -2.93600 -0.62000 1.000 H31 H 2.38900 -2.03000 -1.87200 1.000 H32 H 1.50800 -2.48300 1.01500 1.000 H33 H 0.78200 -3.20600 -0.44100 1.000 H34 H 0.23800 -0.88900 -1.26400 1.000 H35 H 1.27900 -0.15000 1.51200 1.000 H36 H 0.65900 2.14100 1.00500 1.000 H37 H -1.83400 1.95800 0.95100 1.000 H38 H -1.11200 0.78200 2.08400 1.000 H39 H -0.77200 -1.45000 1.57400 1.000 H40 H -1.61000 -2.63500 -1.07700 1.000 H41 H -1.61900 -3.37500 0.55200 1.000 H42 H -3.80100 -2.00200 -0.76600 1.000 H43 H -3.77500 -2.64700 0.90000 1.000 H44 H -3.24400 -0.51700 1.79800 1.000 H45 H -0.83000 0.22800 -1.64600 1.000 H46 H -2.46900 -0.45300 -1.77500 1.000 H47 H -2.25000 1.27000 -1.38700 1.000 H48 H 2.94800 0.72100 -2.30200 1.000 H49 H 1.26800 0.17800 -2.07400 1.000 H50 H 1.72000 1.85700 -1.69300 1.000 H51 H -6.07300 -0.56400 0.99200 1.000 H52 H -5.45000 0.87500 1.83400 1.000 H53 H -0.51200 2.57000 -0.90300 1.000 H54 H -7.33900 1.30800 0.61100 1.000