# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94R' 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 -4.74200 1.31400 -0.64400 1.000 O1 O -7.98700 -0.02000 0.70100 1.000 C2 C -6.08400 1.33800 0.09000 1.000 C3 C -6.69500 -0.06400 0.09100 1.000 C4 C -5.79000 -1.01500 0.88100 1.000 C5 C -4.39400 -0.95200 0.28600 1.000 C6 C -3.76900 0.40000 0.10500 1.000 C7 C -3.52300 1.00000 1.49100 1.000 C8 C -2.43400 0.35400 -0.62000 1.000 C9 C -1.65600 1.63800 -0.34900 1.000 C10 C -0.26300 1.60700 -0.99800 1.000 C11 C 0.45800 0.39100 -0.44900 1.000 C12 C 0.45400 0.43000 1.08000 1.000 C13 C 1.87800 0.15700 -0.95700 1.000 C14 C 2.89400 0.76600 0.01000 1.000 C15 C 4.31000 0.39700 -0.43800 1.000 C16 C 5.31900 0.90000 0.59600 1.000 C17 C 6.71400 0.53700 0.15500 1.000 C18 C 7.43600 1.40300 -0.51100 1.000 C19 C 7.27600 -0.82300 0.47900 1.000 C20 C 7.30800 -1.01300 1.99700 1.000 C21 C 6.39600 -1.90300 -0.15100 1.000 C22 C 2.74200 2.28900 0.01800 1.000 C23 C 2.04500 -1.38200 -1.01200 1.000 C24 C 0.67100 -1.98700 -0.61200 1.000 C25 C -0.31500 -0.86000 -0.94600 1.000 C26 C -1.64000 -0.89300 -0.20600 1.000 C27 C -2.43600 -2.13100 -0.63600 1.000 C28 C -3.80900 -2.06900 -0.03400 1.000 H29 H -4.88700 0.93800 -1.65700 1.000 H30 H -4.33200 2.32400 -0.68700 1.000 H31 H -8.43500 -0.87700 0.73600 1.000 H32 H -5.93000 1.66800 1.11700 1.000 H33 H -6.76100 2.02700 -0.41500 1.000 H34 H -6.79000 -0.42100 -0.93400 1.000 H35 H -5.75800 -0.70700 1.92600 1.000 H36 H -6.17500 -2.03200 0.80900 1.000 H37 H -4.46700 1.06700 2.03100 1.000 H38 H -2.83200 0.36500 2.04500 1.000 H39 H -3.09500 1.99700 1.38400 1.000 H40 H -2.62800 0.28800 -1.69100 1.000 H41 H -2.21500 2.48400 -0.74900 1.000 H42 H -1.54300 1.76500 0.72800 1.000 H43 H -0.35900 1.52600 -2.08000 1.000 H44 H 0.28700 2.51300 -0.73900 1.000 H45 H -0.57400 0.45300 1.44000 1.000 H46 H 0.95500 -0.45700 1.46800 1.000 H47 H 0.97900 1.32300 1.42200 1.000 H48 H 1.99800 0.58500 -1.95200 1.000 H49 H 2.71800 0.37900 1.01400 1.000 H50 H 4.39100 -0.68600 -0.52800 1.000 H51 H 4.51700 0.85900 -1.40300 1.000 H52 H 5.23800 1.98300 0.68700 1.000 H53 H 5.11200 0.43800 1.56100 1.000 H54 H 8.43600 1.14200 -0.82800 1.000 H55 H 7.03300 2.37700 -0.74400 1.000 H56 H 8.28800 -0.90200 0.08200 1.000 H57 H 6.29600 -0.93400 2.39500 1.000 H58 H 7.71500 -1.99600 2.23200 1.000 H59 H 7.93500 -0.24300 2.44700 1.000 H60 H 6.37300 -1.76800 -1.23200 1.000 H61 H 6.80300 -2.88700 0.08400 1.000 H62 H 5.38400 -1.82500 0.24600 1.000 H63 H 1.75500 2.55300 0.39600 1.000 H64 H 3.50600 2.72700 0.65900 1.000 H65 H 2.85600 2.67000 -0.99700 1.000 H66 H 2.31100 -1.69400 -2.02200 1.000 H67 H 2.81300 -1.70100 -0.30700 1.000 H68 H 0.45500 -2.87800 -1.20200 1.000 H69 H 0.64500 -2.21600 0.45300 1.000 H70 H -0.47400 -0.80600 -2.02300 1.000 H71 H -1.47100 -0.89200 0.87100 1.000 H72 H -2.51500 -2.15400 -1.72300 1.000 H73 H -1.92600 -3.03000 -0.28900 1.000 H74 H -4.33700 -2.99500 0.14200 1.000