# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9CC' 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 -3.27200 -1.20300 0.00200 1.000 C1 C -0.79400 -1.12100 -0.28900 1.000 C2 C -3.36200 1.57700 0.09400 1.000 C3 C -4.53000 0.82900 0.21600 1.000 C4 C 0.33200 0.91800 0.13500 1.000 C5 C -0.89200 1.76600 -0.21100 1.000 C6 C -4.48500 -0.55700 0.16900 1.000 C7 C -2.14900 0.94700 -0.07400 1.000 C8 C -2.09600 -0.44900 -0.11900 1.000 C9 C 1.60400 1.67600 -0.25200 1.000 C10 C 2.83000 0.88400 0.20800 1.000 C11 C 3.99400 -1.18500 -0.13500 1.000 C12 C 5.30700 -0.45300 -0.42400 1.000 C13 C 5.32200 0.87400 0.34000 1.000 O14 O 0.27200 -0.33800 -0.60000 1.000 C15 C 4.09600 1.69800 -0.06700 1.000 C16 C 3.90700 -1.50700 1.35800 1.000 O17 O 2.89400 -0.35100 -0.50800 1.000 O18 O -0.67900 -2.32400 -0.15700 1.000 O19 O -5.72000 1.46000 0.38300 1.000 O20 O -3.22000 -2.55800 -0.04100 1.000 H21 H -3.40800 2.65500 0.13000 1.000 H22 H 0.34200 0.71400 1.20600 1.000 H23 H -0.94300 2.62000 0.46400 1.000 H24 H -0.80600 2.12200 -1.23700 1.000 H25 H -5.39500 -1.13000 0.26300 1.000 H26 H 1.63700 1.80100 -1.33400 1.000 H27 H 1.60400 2.65500 0.22700 1.000 H28 H 2.75200 0.68200 1.27600 1.000 H29 H 3.95900 -2.11100 -0.71000 1.000 H30 H 6.14600 -1.06900 -0.10000 1.000 H31 H 5.38900 -0.26000 -1.49400 1.000 H32 H 5.29100 0.67900 1.41100 1.000 H33 H 6.23000 1.42500 0.09600 1.000 H34 H 4.15300 1.93600 -1.13000 1.000 H35 H 4.06900 2.62100 0.51200 1.000 H36 H 3.94100 -0.58100 1.93200 1.000 H37 H 2.97100 -2.02700 1.56300 1.000 H38 H 4.74600 -2.14100 1.64200 1.000 H39 H -6.17300 1.66900 -0.44500 1.000 H40 H -3.31500 -2.92800 -0.92900 1.000