# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHD' 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 1.81500 0.77500 -4.04200 1.000 C1 C 1.79100 -0.70200 -4.44000 1.000 C2 C 0.60100 -0.96200 -5.36500 1.000 O3 O 0.57900 -2.34200 -5.73500 1.000 C4 C -0.69600 -0.60800 -4.63800 1.000 C5 C -0.67300 0.86900 -4.24000 1.000 C6 C -1.97200 1.22200 -3.51400 1.000 C7 C -2.10500 0.36200 -2.25500 1.000 O8 O -2.12500 -1.01800 -2.62200 1.000 C9 C -0.91600 0.62600 -1.33000 1.000 C10 C 0.39500 0.27500 -2.04900 1.000 C11 C 0.51700 1.12800 -3.31300 1.000 C12 C 1.60900 0.49400 -1.15300 1.000 C13 C 1.47300 -0.27300 0.17200 1.000 O14 O 1.40200 -1.67700 -0.08400 1.000 C15 C 0.17600 0.13100 0.84000 1.000 C16 C -1.00300 -0.25100 -0.09600 1.000 C17 C -2.21300 -0.00900 0.81300 1.000 C18 C -1.74200 -0.58100 2.17800 1.000 C19 C -0.19400 -0.53600 2.16000 1.000 C20 C 0.13000 1.65300 0.99800 1.000 C21 C 0.54100 2.60400 -2.91200 1.000 C22 C 0.32500 0.29100 3.33700 1.000 C23 C 1.85100 0.38000 3.26400 1.000 C24 C -0.08300 -0.37700 4.65100 1.000 C25 C 0.43600 0.45000 5.82800 1.000 O26 O -0.60400 -1.23500 7.10500 1.000 C27 C 0.03300 -0.20800 7.12200 1.000 O28 O 0.38200 0.34400 8.29400 1.000 H29 H 2.66400 0.96000 -3.38300 1.000 H30 H 1.90800 1.39100 -4.93700 1.000 H31 H 1.69800 -1.31700 -3.54500 1.000 H32 H 2.71700 -0.95300 -4.95800 1.000 H33 H 0.69600 -0.34700 -6.26000 1.000 H34 H 1.41300 -2.52300 -6.18900 1.000 H35 H -0.79100 -1.22300 -3.74300 1.000 H36 H -1.54400 -0.79300 -5.29700 1.000 H37 H -0.57700 1.48400 -5.13500 1.000 H38 H -2.81900 1.03500 -4.17300 1.000 H39 H -1.95600 2.27500 -3.23300 1.000 H40 H -3.03100 0.61400 -1.73900 1.000 H41 H -2.88800 -1.14100 -3.20400 1.000 H42 H -0.90500 1.67500 -1.03500 1.000 H43 H 0.35200 -0.77500 -2.33500 1.000 H44 H 2.50300 0.15100 -1.67400 1.000 H45 H 1.70800 1.55800 -0.94000 1.000 H46 H 2.32600 -0.05700 0.81500 1.000 H47 H 2.22200 -1.92000 -0.53600 1.000 H48 H -0.94100 -1.30300 -0.37400 1.000 H49 H -3.08400 -0.55200 0.44700 1.000 H50 H -2.42700 1.05600 0.89400 1.000 H51 H -2.08500 -1.60900 2.29100 1.000 H52 H -2.12500 0.03300 2.99300 1.000 H53 H 0.21300 -1.54600 2.20000 1.000 H54 H 0.30400 2.12400 0.03000 1.000 H55 H -0.84800 1.94900 1.37500 1.000 H56 H 0.90100 1.96900 1.70000 1.000 H57 H 0.63600 3.22200 -3.80500 1.000 H58 H -0.38300 2.85500 -2.39300 1.000 H59 H 1.38900 2.78700 -2.25200 1.000 H60 H -0.09900 1.29400 3.29200 1.000 H61 H 2.27600 -0.62200 3.30900 1.000 H62 H 2.14300 0.85600 2.32800 1.000 H63 H 2.22200 0.96900 4.10200 1.000 H64 H -1.17000 -0.44000 4.70300 1.000 H65 H 0.34100 -1.38000 4.69600 1.000 H66 H 1.52300 0.51300 5.77600 1.000 H67 H 0.01100 1.45200 5.78300 1.000 H68 H 0.12400 -0.07800 9.12400 1.000