# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HXD' 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 6.96100 -0.54600 -0.22700 1.000 C1 C 5.75600 0.35500 0.05100 1.000 C2 C 8.25200 0.24200 0.00500 1.000 C3 C 4.46600 -0.43400 -0.18100 1.000 C4 C 3.26100 0.46700 0.09700 1.000 C5 C 1.97000 -0.32200 -0.13400 1.000 C6 C 0.76500 0.57900 0.14400 1.000 C7 C -0.52500 -0.20900 -0.08800 1.000 C8 C -1.73000 0.69100 0.19000 1.000 C9 C -3.02100 -0.09700 -0.04200 1.000 O10 O -3.11100 -1.15500 0.91500 1.000 C11 C -4.22300 0.83600 0.11500 1.000 C12 C -5.48600 0.09000 -0.23300 1.000 O13 O -6.67300 0.71300 -0.16700 1.000 O14 O -5.43000 -1.06800 -0.57200 1.000 H15 H 6.92700 -0.89100 -1.26100 1.000 H16 H 6.93500 -1.40500 0.44300 1.000 H17 H 5.79100 0.69900 1.08500 1.000 H18 H 5.78300 1.21400 -0.61900 1.000 H19 H 8.27800 1.10100 -0.66600 1.000 H20 H 8.28700 0.58700 1.03800 1.000 H21 H 9.11000 -0.40000 -0.19400 1.000 H22 H 4.43100 -0.77800 -1.21500 1.000 H23 H 4.44000 -1.29300 0.48900 1.000 H24 H 3.29600 0.81100 1.13100 1.000 H25 H 3.28700 1.32600 -0.57300 1.000 H26 H 1.93600 -0.66600 -1.16800 1.000 H27 H 1.94400 -1.18100 0.53600 1.000 H28 H 0.80000 0.92300 1.17700 1.000 H29 H 0.79200 1.43800 -0.52600 1.000 H30 H -0.56000 -0.55400 -1.12200 1.000 H31 H -0.55100 -1.06900 0.58200 1.000 H32 H -1.69500 1.03600 1.22400 1.000 H33 H -1.70400 1.55100 -0.48000 1.000 H34 H -3.01500 -0.51600 -1.04800 1.000 H35 H -3.11300 -0.74200 1.78900 1.000 H36 H -4.28000 1.18500 1.14600 1.000 H37 H -4.11000 1.69000 -0.55300 1.000 H38 H -7.48300 0.23500 -0.39000 1.000