# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CF6' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 10.29500 -5.03000 -4.24800 1.000 C1 C 10.37700 -3.63200 -3.22100 1.000 C2 C 11.20700 -3.63900 -2.11200 1.000 C3 C 11.27700 -2.53100 -1.29300 1.000 C4 C 9.61800 -2.51300 -3.51700 1.000 C5 C 9.68100 -1.39900 -2.70500 1.000 C6 C 10.51000 -1.40300 -1.58400 1.000 C7 C 10.58000 -0.21000 -0.70700 1.000 C8 C 10.68600 -0.45100 0.74500 1.000 C9 C 9.99500 -1.52800 1.43200 1.000 C10 C 9.06700 -2.48800 0.73100 1.000 N11 N 10.54900 0.94700 -1.28600 1.000 C12 C 10.51100 2.20200 -0.53200 1.000 C13 C 11.76700 2.32100 0.29100 1.000 N14 N 12.67000 3.25700 0.23800 1.000 N15 N 13.60500 3.00700 1.08900 1.000 C16 C 13.34000 1.89700 1.73100 1.000 C17 C 14.18300 1.25500 2.80200 1.000 N18 N 12.16200 1.43800 1.24500 1.000 C19 C 11.45000 0.30100 1.61300 1.000 S20 S 11.36400 -0.32200 3.19900 1.000 C21 C 10.25300 -1.59200 2.72700 1.000 C22 C 9.67000 -2.61500 3.66800 1.000 C23 C 9.29200 2.20700 0.39200 1.000 C24 C 8.03300 2.20300 -0.43700 1.000 O25 O 8.10400 2.19600 -1.64800 1.000 N26 N 6.82800 2.20600 0.16700 1.000 C27 C 5.60500 2.20200 -0.63900 1.000 C28 C 4.38500 2.20700 0.28500 1.000 C29 C 3.10800 2.20300 -0.55700 1.000 C30 C 1.88800 2.20800 0.36800 1.000 C31 C 0.61000 2.20400 -0.47400 1.000 C32 C -0.60900 2.20800 0.45000 1.000 C33 C -1.88700 2.20400 -0.39200 1.000 C34 C -3.10600 2.20900 0.53200 1.000 C35 C -4.38400 2.20500 -0.30900 1.000 C36 C -5.60300 2.21000 0.61500 1.000 N37 N -6.82600 2.20600 -0.19100 1.000 C38 C -8.03100 2.21000 0.41300 1.000 O39 O -8.10300 2.21600 1.62300 1.000 C40 C -9.29000 2.20500 -0.41600 1.000 C41 C -10.50900 2.21000 0.50800 1.000 C42 C -11.76500 2.32200 -0.31600 1.000 N43 N -12.67000 3.25700 -0.27100 1.000 N44 N -13.60500 2.99800 -1.11900 1.000 C45 C -13.33900 1.88300 -1.75000 1.000 C46 C -14.18100 1.23000 -2.81700 1.000 N47 N -12.16100 1.42900 -1.26100 1.000 C48 C -11.44100 0.28600 -1.62000 1.000 C49 C -10.67900 -0.45500 -0.74200 1.000 C50 C -9.98900 -1.54300 -1.41400 1.000 C51 C -9.04800 -2.48200 -0.70500 1.000 C52 C -10.26300 -1.63500 -2.70500 1.000 C53 C -9.68800 -2.67500 -3.63100 1.000 S54 S -11.38500 -0.37900 -3.19000 1.000 C55 C -10.57900 -0.20000 0.70800 1.000 N56 N -10.54700 0.96300 1.27500 1.000 C57 C -10.50800 -1.38300 1.59700 1.000 C58 C -9.78300 -1.32300 2.78700 1.000 C59 C -9.72000 -2.42700 3.61100 1.000 C60 C -10.37700 -3.59500 3.25800 1.000 Cl61 Cl -10.29400 -4.98100 4.30000 1.000 C62 C -11.09800 -3.66000 2.07800 1.000 C63 C -11.17200 -2.56000 1.25000 1.000 H64 H 11.80000 -4.51300 -1.88800 1.000 H65 H 11.92400 -2.53700 -0.42900 1.000 H66 H 8.97600 -2.51100 -4.38600 1.000 H67 H 9.08800 -0.52700 -2.93700 1.000 H68 H 8.07200 -2.04800 0.66600 1.000 H69 H 9.44200 -2.68800 -0.27300 1.000 H70 H 9.01700 -3.42000 1.29300 1.000 H71 H 10.44700 3.04100 -1.22400 1.000 H72 H 13.88200 1.63500 3.77800 1.000 H73 H 14.04300 0.17400 2.77500 1.000 H74 H 15.23300 1.49000 2.62800 1.000 H75 H 10.32400 -3.48700 3.70600 1.000 H76 H 9.58200 -2.18300 4.66500 1.000 H77 H 8.68400 -2.91500 3.31400 1.000 H78 H 9.31200 1.32000 1.02600 1.000 H79 H 9.31200 3.10000 1.01600 1.000 H80 H 6.77100 2.21100 1.13500 1.000 H81 H 5.58400 3.08900 -1.27300 1.000 H82 H 5.58400 1.30900 -1.26300 1.000 H83 H 4.40600 1.32000 0.91900 1.000 H84 H 4.40600 3.10000 0.91000 1.000 H85 H 3.08700 3.08900 -1.19000 1.000 H86 H 3.08700 1.30900 -1.18100 1.000 H87 H 1.90900 1.32100 1.00100 1.000 H88 H 1.90900 3.10100 0.99200 1.000 H89 H 0.59000 3.09000 -1.10800 1.000 H90 H 0.59000 1.31000 -1.09900 1.000 H91 H -0.58800 1.32200 1.08400 1.000 H92 H -0.58800 3.10200 1.07400 1.000 H93 H -1.90700 3.09100 -1.02500 1.000 H94 H -1.90800 1.31100 -1.01600 1.000 H95 H -3.08500 1.32300 1.16600 1.000 H96 H -3.08500 3.10200 1.15700 1.000 H97 H -4.40400 3.09200 -0.94300 1.000 H98 H -4.40500 1.31200 -0.93400 1.000 H99 H -5.58200 1.32300 1.24800 1.000 H100 H -5.58200 3.10300 1.23900 1.000 H101 H -6.76900 2.20100 -1.16000 1.000 H102 H -9.31100 3.09200 -1.05000 1.000 H103 H -9.31100 1.31200 -1.04100 1.000 H104 H -10.44500 3.05700 1.19200 1.000 H105 H -13.88000 1.60200 -3.79600 1.000 H106 H -14.04100 0.15000 -2.78000 1.000 H107 H -15.23100 1.46700 -2.64600 1.000 H108 H -9.58800 -3.37900 -0.40400 1.000 H109 H -8.23400 -2.75600 -1.37700 1.000 H110 H -8.64000 -1.98900 0.17700 1.000 H111 H -10.33800 -3.55000 -3.64300 1.000 H112 H -9.61400 -2.26400 -4.63800 1.000 H113 H -8.69700 -2.96400 -3.28200 1.000 H114 H -9.27000 -0.41300 3.06200 1.000 H115 H -9.15800 -2.38200 4.53200 1.000 H116 H -11.60800 -4.57300 1.80800 1.000 H117 H -11.73800 -2.61100 0.33200 1.000