# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DS4' 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 -4.03500 -1.19600 -0.13000 1.000 C1 C -2.82900 -0.50100 -0.05800 1.000 C2 C -1.63500 -1.18900 -0.13200 1.000 C3 C -1.63300 -2.56400 -0.27700 1.000 C4 C -2.82700 -3.25800 -0.34900 1.000 C5 C -4.02800 -2.58200 -0.27000 1.000 C6 C -0.32600 -3.30900 -0.35700 1.000 C7 C 0.81000 -2.36500 -0.05900 1.000 C8 C -0.32400 -4.44800 0.66500 1.000 C9 C -0.15300 -3.88700 -1.76300 1.000 C10 C -0.29900 -2.76700 -2.79600 1.000 C11 C -0.63700 -3.88600 2.05400 1.000 C12 C 0.79100 -1.60800 1.09900 1.000 C13 C 1.82700 -0.74100 1.37800 1.000 C14 C 2.89700 -0.62800 0.48800 1.000 C15 C 2.91000 -1.39500 -0.67800 1.000 C16 C 1.87000 -2.26200 -0.94200 1.000 C17 C -2.82900 0.99800 0.09900 1.000 C18 C 1.80400 0.08300 2.63900 1.000 C19 C 4.01000 0.29900 0.78000 1.000 C20 C 5.02400 0.40400 -0.06600 1.000 C21 C 6.16000 1.34900 0.23100 1.000 O22 O 5.91400 2.01300 1.47200 1.000 C23 C 7.46800 0.56200 0.32500 1.000 F24 F 7.70900 -0.08800 -0.89100 1.000 C25 C 6.26700 2.38600 -0.88900 1.000 F26 F 5.07100 3.10600 -0.97500 1.000 F27 F 7.32100 3.26400 -0.61300 1.000 F28 F 6.50800 1.73600 -2.10400 1.000 F29 F 8.52200 1.44000 0.60100 1.000 F30 F 7.37000 -0.38600 1.34900 1.000 C31 C -6.31800 -0.69200 -0.99800 1.000 C32 C -5.32300 -0.46200 -0.05000 1.000 C33 C -5.54000 0.45900 0.97200 1.000 C34 C -6.74200 1.13900 1.04100 1.000 C35 C -7.72700 0.90500 0.09600 1.000 C36 C -7.51400 -0.00800 -0.92000 1.000 C37 C -9.03600 1.64800 0.17600 1.000 C38 C -8.89700 2.98400 -0.50900 1.000 O39 O -7.84400 3.29900 -1.01000 1.000 O40 O -9.94400 3.82200 -0.56200 1.000 F41 F -6.95500 2.03300 2.03200 1.000 H42 H -0.69900 -0.65100 -0.07700 1.000 H43 H -2.82000 -4.33200 -0.46200 1.000 H44 H -4.95900 -3.12500 -0.32200 1.000 H45 H -1.08100 -5.18300 0.39200 1.000 H46 H 0.65700 -4.92300 0.67800 1.000 H47 H 0.83600 -4.33700 -1.85200 1.000 H48 H -0.91500 -4.64600 -1.94000 1.000 H49 H -0.23500 -3.18800 -3.79900 1.000 H50 H -1.26500 -2.27900 -2.66800 1.000 H51 H 0.49800 -2.03700 -2.65600 1.000 H52 H -1.51800 -3.24700 1.99800 1.000 H53 H -0.82700 -4.70800 2.74400 1.000 H54 H 0.21300 -3.30300 2.41000 1.000 H55 H -0.03800 -1.69600 1.78600 1.000 H56 H 3.73500 -1.31200 -1.37000 1.000 H57 H 1.88000 -2.85600 -1.84400 1.000 H58 H -2.82800 1.25200 1.15900 1.000 H59 H -1.93900 1.41300 -0.37500 1.000 H60 H -3.71900 1.41300 -0.37300 1.000 H61 H 2.29200 -0.46800 3.44200 1.000 H62 H 2.33200 1.02200 2.47000 1.000 H63 H 0.77100 0.29300 2.91700 1.000 H64 H 3.99700 0.89100 1.68300 1.000 H65 H 5.03800 -0.18800 -0.96900 1.000 H66 H 5.83400 1.41600 2.22900 1.000 H67 H -6.15200 -1.40200 -1.79500 1.000 H68 H -4.77200 0.64100 1.70900 1.000 H69 H -8.28400 -0.18400 -1.65700 1.000 H70 H -9.81500 1.06600 -0.31700 1.000 H71 H -9.30400 1.80200 1.22100 1.000 H72 H -9.80700 4.66800 -1.01200 1.000