# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DS5' 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 -4.09600 1.49700 -0.41400 1.000 O1 O 7.23200 -0.56600 0.71900 1.000 C2 C -3.82200 2.70600 -1.03700 1.000 O3 O -5.20600 0.79100 -0.75700 1.000 C4 C -2.69300 3.42100 -0.68700 1.000 C5 C -1.83700 2.93400 0.28300 1.000 C6 C -2.10800 1.72900 0.90500 1.000 C7 C -3.23300 1.00700 0.55500 1.000 C8 C -0.60700 3.71600 0.66300 1.000 C9 C 0.60500 2.82600 0.56600 1.000 C10 C 0.50100 1.58500 -0.03700 1.000 C11 C 1.60700 0.76400 -0.12900 1.000 C12 C 1.49200 -0.58700 -0.78600 1.000 C13 C 2.83200 1.18900 0.38700 1.000 C14 C 3.98300 0.34300 0.29400 1.000 C15 C 4.92700 -0.35100 0.21800 1.000 C16 C 6.11000 -1.22100 0.12300 1.000 C17 C 6.41200 -1.51200 -1.34900 1.000 C18 C 5.83800 -2.53600 0.85700 1.000 C19 C 2.93000 2.44200 0.99300 1.000 C20 C -0.44400 4.90400 -0.28700 1.000 C21 C -6.71200 -1.09100 -0.59100 1.000 C22 C -7.01300 -2.35000 0.22500 1.000 C23 C -8.36300 -2.92700 -0.20700 1.000 C24 C -8.66000 -4.16700 0.59700 1.000 C25 C -0.75000 4.22700 2.09900 1.000 C26 C -0.13600 4.39200 -1.69500 1.000 C27 C -0.77200 3.03900 3.06300 1.000 C28 C 1.81800 3.25500 1.07400 1.000 C29 C -4.75400 3.23800 -2.09500 1.000 C30 C -5.42500 -0.44500 -0.07500 1.000 F31 F 7.53700 -2.33900 -1.43900 1.000 F32 F 5.31400 -2.15300 -1.93200 1.000 F33 F 6.66100 -0.31100 -2.02000 1.000 F34 F 4.74000 -3.17700 0.27400 1.000 F35 F 6.96300 -3.36200 0.76600 1.000 F36 F 5.56200 -2.26900 2.20300 1.000 O37 O -6.55000 -1.44300 -1.96600 1.000 O38 O -7.87200 -4.55000 1.43000 1.000 O39 O -9.79900 -4.84600 0.38800 1.000 H40 H 7.46300 0.27600 0.30300 1.000 H41 H -2.47900 4.36200 -1.17100 1.000 H42 H -1.43600 1.34800 1.66000 1.000 H43 H -3.44400 0.06600 1.04100 1.000 H44 H -0.44800 1.25800 -0.43600 1.000 H45 H 1.70000 -0.49200 -1.85200 1.000 H46 H 2.20900 -1.27300 -0.33500 1.000 H47 H 0.48200 -0.97400 -0.64600 1.000 H48 H 3.87500 2.77600 1.39400 1.000 H49 H -1.36700 5.48400 -0.30500 1.000 H50 H 0.37500 5.53600 0.05800 1.000 H51 H -7.53800 -0.38700 -0.49000 1.000 H52 H -6.23100 -3.08900 0.05500 1.000 H53 H -7.04900 -2.09600 1.28500 1.000 H54 H -9.14500 -2.18700 -0.03600 1.000 H55 H -8.32700 -3.18000 -1.26600 1.000 H56 H 0.09300 4.87500 2.33900 1.000 H57 H -1.67900 4.78900 2.19300 1.000 H58 H -0.98100 3.81200 -2.06400 1.000 H59 H 0.04100 5.23900 -2.35900 1.000 H60 H 0.75300 3.76200 -1.66600 1.000 H61 H -0.68900 3.40100 4.08700 1.000 H62 H -1.70900 2.49300 2.94500 1.000 H63 H 0.06500 2.37600 2.84200 1.000 H64 H 1.89300 4.22500 1.54300 1.000 H65 H -5.51700 3.86100 -1.62700 1.000 H66 H -4.18800 3.83300 -2.81200 1.000 H67 H -5.23100 2.40500 -2.61100 1.000 H68 H -4.58400 -1.11400 -0.25600 1.000 H69 H -5.51600 -0.25800 0.99500 1.000 H70 H -5.83100 -2.06800 -2.13100 1.000 H71 H -9.94500 -5.63500 0.92700 1.000