#------------------------------------------------------------------------------ #$Date: 2021-01-04 00:22:59 +0200 (Mon, 04 Jan 2021) $ #$Revision: 260398 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/3/50/01/3500117.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_3500117 _cell_angle_alpha 90.000 _cell_angle_beta 92.949 _cell_angle_gamma 90.000 _cell_length_a 4.6733 _cell_length_b 5.8249 _cell_length_c 27.4920 _exptl_crystal_F_000 384.00 _reflns_d_resolution_high 0.8025 _cod_data_source_file thioact.fcf _cod_data_source_block thioact _shelx_title ' thioacet P 21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 138.82 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 4800.85 5423.70 75.93 o 2 0 0 856.18 942.05 2.00 o 3 0 0 747.58 863.18 2.93 o 4 0 0 139.55 178.28 1.93 o 1 1 0 7303.56 6866.58 72.49 o 2 1 0 6.09 8.48 0.74 o 3 1 0 105.21 128.95 8.61 o 4 1 0 85.80 110.16 5.90 o 0 2 0 677.32 698.71 18.95 o 1 2 0 1041.88 1009.25 13.13 o 2 2 0 612.59 606.85 27.96 o 3 2 0 54.83 63.77 5.14 o 4 2 0 0.55 2.39 0.64 o 5 2 0 0.18 0.67 0.17 o 1 3 0 48.07 51.45 0.98 o 2 3 0 162.52 162.82 12.38 o 3 3 0 21.54 28.01 3.17 o 4 3 0 1.93 2.11 0.19 o 5 3 0 34.78 32.78 0.42 o 0 4 0 887.22 839.31 14.88 o 1 4 0 1942.45 1823.50 39.04 o 2 4 0 1210.69 1217.49 107.62 o 3 4 0 786.31 799.13 33.97 o 4 4 0 216.31 194.60 0.78 o 1 5 0 236.25 235.71 5.19 o 2 5 0 36.62 36.32 2.09 o 3 5 0 8.00 8.54 0.26 o 4 5 0 0.56 0.98 0.36 o 0 6 0 152.85 149.95 3.58 o 1 6 0 51.11 51.87 0.76 o 2 6 0 1.02 2.35 0.18 o 3 6 0 6.43 7.14 0.19 o 1 7 0 0.11 0.64 0.13 o -4 1 1 12.74 14.42 0.45 o -3 1 1 534.72 640.96 24.27 o -2 1 1 63.07 63.57 1.11 o -1 1 1 217.22 262.76 3.58 o 0 1 1 6.92 10.68 0.33 o 1 1 1 3448.83 3376.89 14.10 o 2 1 1 1688.71 1765.96 56.98 o 3 1 1 237.51 282.77 18.20 o 4 1 1 34.35 49.08 3.87 o -5 2 1 72.47 65.98 0.61 o -4 2 1 310.99 370.89 16.77 o -3 2 1 78.90 86.26 4.94 o -2 2 1 181.93 212.92 10.55 o -1 2 1 1041.20 924.59 12.23 o 0 2 1 10.74 10.01 0.18 o 1 2 1 2566.61 2408.45 26.15 o 2 2 1 1629.00 1587.02 68.06 o 3 2 1 463.22 511.68 54.84 o 4 2 1 466.52 522.04 24.20 o 5 2 1 213.48 197.41 1.01 o -5 3 1 5.17 5.28 0.23 o -4 3 1 34.57 33.88 0.64 o -3 3 1 74.40 82.25 7.64 o -2 3 1 7.66 7.94 0.21 o -1 3 1 2.23 2.65 0.40 o 0 3 1 3.47 3.66 0.14 o 1 3 1 33.70 34.67 0.58 o 2 3 1 704.91 685.12 43.07 o 3 3 1 3.33 5.94 1.18 o 4 3 1 154.87 148.79 0.84 o 5 3 1 53.91 53.28 0.52 o -4 4 1 0.53 0.95 0.14 o -3 4 1 259.30 281.61 14.35 o -2 4 1 20.31 24.91 3.27 o -1 4 1 57.26 55.68 1.16 o 0 4 1 16.95 19.77 0.95 o 1 4 1 756.91 723.99 16.74 o 2 4 1 1.84 3.71 0.86 o 3 4 1 18.77 19.27 1.93 o 4 4 1 53.52 52.49 0.43 o -4 5 1 9.68 10.41 0.19 o -3 5 1 14.42 13.44 0.66 o -2 5 1 140.10 144.58 8.94 o -1 5 1 29.94 29.05 0.90 o 0 5 1 133.10 137.75 2.15 o 1 5 1 67.20 66.57 1.89 o 2 5 1 127.97 125.79 7.38 o 3 5 1 44.68 44.03 0.59 o 4 5 1 6.48 7.51 0.18 o -3 6 1 69.50 73.20 1.80 o -2 6 1 329.98 321.74 8.16 o -1 6 1 14.30 14.10 0.27 o 0 6 1 8.88 9.21 0.23 o 1 6 1 8.49 8.94 0.19 o 2 6 1 315.62 308.63 9.55 o 3 6 1 204.82 211.45 3.13 o -1 7 1 44.76 46.54 0.28 o 0 7 1 0.03 0.00 0.09 o 1 7 1 97.52 102.37 0.84 o -5 0 2 1073.03 1032.43 2.66 o -4 0 2 346.77 473.28 3.02 o -3 0 2 750.59 868.38 2.81 o -2 0 2 5890.61 5639.99 15.67 o -1 0 2 1934.13 2277.90 8.02 o 2 0 2 87.95 89.78 0.67 o 3 0 2 107.63 131.00 1.28 o 4 0 2 175.80 248.09 2.36 o -5 1 2 18.18 17.11 0.37 o -4 1 2 0.06 0.36 0.70 o -3 1 2 191.82 223.19 6.77 o -2 1 2 86.81 87.16 2.61 o -1 1 2 295.94 325.77 4.93 o 0 1 2 4035.68 4561.41 32.97 o 1 1 2 499.03 501.59 2.92 o 2 1 2 6.86 4.44 0.51 o 3 1 2 52.15 79.94 6.91 o 4 1 2 56.59 70.28 4.01 o -5 2 2 0.01 0.65 0.19 o -4 2 2 76.61 87.28 3.63 o -3 2 2 1.46 5.20 0.57 o -2 2 2 115.54 122.39 1.88 o -1 2 2 518.58 515.45 7.58 o 0 2 2 2071.96 2071.27 21.82 o 1 2 2 173.71 173.55 2.51 o 2 2 2 335.94 341.88 11.97 o 3 2 2 242.48 279.37 18.45 o 4 2 2 0.57 2.06 0.45 o 5 2 2 11.69 11.25 0.28 o -5 3 2 20.25 19.51 0.35 o -4 3 2 51.23 49.75 1.00 o -3 3 2 341.40 372.83 35.12 o -2 3 2 375.67 356.61 21.52 o -1 3 2 102.56 98.00 1.32 o 0 3 2 1761.83 1624.79 19.39 o 1 3 2 730.82 730.10 13.55 o 2 3 2 288.63 271.93 18.33 o 3 3 2 166.44 179.80 16.15 o 4 3 2 146.42 141.85 1.32 o 5 3 2 25.57 26.33 0.40 o -4 4 2 94.24 89.59 0.62 o -3 4 2 389.74 393.77 19.63 o -2 4 2 618.89 610.72 55.22 o -1 4 2 1335.83 1245.86 24.94 o 0 4 2 701.49 673.58 9.15 o 1 4 2 154.78 151.38 4.18 o 2 4 2 77.77 80.29 8.11 o 3 4 2 50.35 50.86 1.71 o 4 4 2 66.35 63.20 0.47 o -4 5 2 0.32 0.36 0.20 o -3 5 2 41.40 40.37 0.58 o -2 5 2 28.55 33.32 2.01 o -1 5 2 203.85 205.15 3.81 o 0 5 2 237.83 238.62 3.37 o 1 5 2 33.14 33.89 0.69 o 2 5 2 30.93 31.65 2.23 o 3 5 2 200.49 187.51 4.40 o 4 5 2 11.88 11.21 0.31 o -3 6 2 28.47 29.65 0.86 o -2 6 2 77.13 75.75 1.12 o -1 6 2 22.92 22.21 0.56 o 0 6 2 9.40 10.65 0.20 o 1 6 2 51.71 52.45 0.36 o 2 6 2 102.03 97.09 2.83 o 3 6 2 23.55 24.66 0.29 o -1 7 2 3.08 4.03 0.12 o 0 7 2 10.04 10.76 0.31 o 1 7 2 21.06 23.65 0.22 o -5 1 3 86.94 78.24 0.74 o -4 1 3 23.46 29.56 1.71 o -3 1 3 0.56 0.92 0.15 o -2 1 3 94.68 95.50 1.84 o -1 1 3 3641.08 3724.76 47.69 o 0 1 3 920.21 1181.70 9.75 o 1 1 3 19270.75 14880.85 410.59 o 2 1 3 235.40 234.74 6.08 o 3 1 3 33.99 36.99 4.05 o 4 1 3 266.16 330.89 26.92 o -5 2 3 224.43 203.47 1.06 o -4 2 3 787.16 848.58 29.80 o -3 2 3 1096.31 1183.26 77.15 o -2 2 3 601.55 579.38 23.01 o -1 2 3 930.21 882.05 12.38 o 0 2 3 1891.90 1855.50 16.36 o 1 2 3 3389.46 3076.89 18.68 o 2 2 3 4739.31 4355.70 118.32 o 3 2 3 169.15 198.20 4.88 o 4 2 3 43.17 50.58 3.43 o 5 2 3 10.10 8.35 0.26 o -5 3 3 5.36 5.83 0.18 o -4 3 3 26.23 26.58 0.41 o -3 3 3 20.40 24.33 2.02 o -2 3 3 33.52 34.72 3.26 o -1 3 3 551.21 513.92 5.84 o 0 3 3 3882.88 3516.56 36.53 o 1 3 3 71.34 77.39 2.71 o 2 3 3 377.07 380.28 27.50 o 3 3 3 130.19 147.28 12.11 o 4 3 3 77.62 75.43 0.85 o 5 3 3 99.68 92.71 0.64 o -4 4 3 53.02 49.07 0.76 o -3 4 3 4.12 4.09 0.22 o -2 4 3 15.98 15.25 1.19 o -1 4 3 144.64 138.61 2.19 o 0 4 3 23.02 23.94 0.34 o 1 4 3 227.97 248.02 20.33 o 2 4 3 480.24 506.87 53.23 o 3 4 3 21.00 20.20 0.38 o 4 4 3 45.05 39.76 0.74 o -4 5 3 39.47 40.85 0.35 o -3 5 3 95.96 90.13 2.40 o -2 5 3 440.71 428.20 20.29 o -1 5 3 333.03 328.97 5.84 o 0 5 3 92.71 93.08 0.95 o 1 5 3 394.76 391.82 10.76 o 2 5 3 613.25 609.54 37.63 o 3 5 3 77.16 73.75 1.09 o 4 5 3 75.43 76.18 1.29 o -3 6 3 110.28 114.15 1.43 o -2 6 3 92.12 91.22 0.60 o -1 6 3 803.69 778.28 4.93 o 0 6 3 452.49 450.16 5.26 o 1 6 3 98.52 99.97 1.07 o 2 6 3 64.72 64.60 1.99 o 3 6 3 159.30 162.57 2.54 o -1 7 3 78.13 81.70 0.36 o 0 7 3 0.14 0.29 0.10 o 1 7 3 21.61 24.06 0.21 o -5 0 4 80.92 76.29 0.74 o -4 0 4 109.28 123.69 1.45 o -3 0 4 437.44 474.03 1.98 o -2 0 4 419.42 409.27 1.19 o -1 0 4 628.35 649.53 2.23 o 0 0 4 562.15 903.07 13.46 o 1 0 4 318.22 386.85 0.86 o 3 0 4 1952.57 1895.64 4.52 o 4 0 4 106.95 155.47 1.94 o -5 1 4 89.76 84.63 0.77 o -4 1 4 73.00 92.23 3.75 o -3 1 4 2.41 2.33 0.27 o -2 1 4 13.68 18.17 0.56 o -1 1 4 6.44 8.69 0.28 o 0 1 4 3.87 5.56 0.81 o 1 1 4 12.88 11.76 0.98 o 2 1 4 859.60 685.23 86.37 o 3 1 4 1011.70 1195.93 197.79 o 4 1 4 110.57 124.97 1.53 o -5 2 4 140.68 134.84 0.90 o -4 2 4 2.41 3.29 0.49 o -3 2 4 0.17 1.46 0.22 o -2 2 4 311.45 322.86 14.17 o -1 2 4 59.28 64.46 1.18 o 0 2 4 1580.35 1590.13 16.95 o 1 2 4 348.93 337.42 5.98 o 2 2 4 44.51 41.58 0.41 o 3 2 4 372.70 404.41 2.23 o 4 2 4 2.76 4.04 0.38 o 5 2 4 10.01 8.94 0.24 o -5 3 4 116.31 115.88 1.62 o -4 3 4 0.57 0.38 0.22 o -3 3 4 174.48 191.66 15.60 o -2 3 4 206.91 204.65 11.16 o -1 3 4 390.20 391.37 5.09 o 0 3 4 278.36 250.40 4.62 o 1 3 4 1099.99 1056.95 24.82 o 2 3 4 521.86 540.47 41.79 o 3 3 4 338.31 368.02 23.12 o 4 3 4 87.35 79.93 0.84 o 5 3 4 80.70 77.91 0.61 o -4 4 4 90.61 88.59 0.57 o -3 4 4 16.56 16.04 1.05 o -2 4 4 247.44 237.98 17.18 o -1 4 4 143.28 130.70 1.90 o 0 4 4 13.52 18.78 1.73 o 1 4 4 54.72 51.75 2.05 o 2 4 4 268.02 298.03 37.62 o 3 4 4 4.22 3.85 0.34 o 4 4 4 34.00 31.44 0.51 o -4 5 4 0.84 0.99 0.21 o -3 5 4 0.29 0.65 0.16 o -2 5 4 30.28 32.56 1.50 o -1 5 4 1.06 2.10 0.16 o 0 5 4 111.91 110.03 1.22 o 1 5 4 97.44 102.73 2.17 o 2 5 4 1.04 1.01 0.20 o 3 5 4 32.87 32.64 0.36 o 4 5 4 86.74 88.01 0.69 o -3 6 4 4.02 4.11 0.17 o -2 6 4 15.40 19.34 0.33 o -1 6 4 367.73 367.47 2.14 o 0 6 4 14.39 15.15 0.45 o 1 6 4 5.06 4.96 0.16 o 2 6 4 0.37 0.42 0.35 o 3 6 4 0.45 0.46 0.14 o -1 7 4 76.18 80.44 0.53 o 0 7 4 18.93 19.62 0.20 o 1 7 4 5.75 6.27 0.14 o -5 1 5 190.99 177.76 0.75 o -4 1 5 1134.02 1308.49 37.95 o -3 1 5 62.62 67.89 0.59 o -2 1 5 1151.34 1126.56 12.03 o -1 1 5 4179.32 3969.07 24.06 o 0 1 5 57.58 73.17 2.30 o 1 1 5 162.27 152.14 7.18 o 3 1 5 30.11 39.36 6.41 o 4 1 5 121.67 120.37 12.54 o -5 2 5 13.51 13.38 0.23 o -4 2 5 245.83 274.86 7.58 o -3 2 5 271.18 293.53 14.86 o -2 2 5 4.81 5.49 0.16 o -1 2 5 5.60 5.36 0.13 o 0 2 5 715.87 694.15 8.00 o 1 2 5 1473.52 1384.65 14.83 o 2 2 5 124.52 129.46 2.13 o 3 2 5 9.49 14.11 1.23 o 4 2 5 101.94 103.35 1.16 o -5 3 5 71.18 71.37 0.44 o -4 3 5 79.16 79.96 1.07 o -3 3 5 332.26 349.02 24.83 o -2 3 5 151.26 147.90 7.31 o -1 3 5 525.45 479.15 5.27 o 0 3 5 542.11 513.68 7.27 o 1 3 5 270.02 259.98 6.50 o 2 3 5 14.65 19.88 7.56 o 3 3 5 13.79 14.61 1.80 o 4 3 5 94.31 87.28 0.87 o 5 3 5 50.46 51.35 0.52 o -4 4 5 0.00 0.62 0.14 o -3 4 5 11.36 11.38 0.60 o -2 4 5 0.24 0.10 0.17 o -1 4 5 3.21 2.41 0.10 o 0 4 5 447.90 421.24 5.53 o 1 4 5 105.23 98.37 3.60 o 2 4 5 30.52 29.27 3.38 o 3 4 5 22.81 23.24 0.56 o 4 4 5 39.55 34.82 1.50 o -4 5 5 71.47 76.87 0.47 o -3 5 5 251.19 246.67 4.83 o -2 5 5 318.01 311.48 11.97 o -1 5 5 1088.51 1060.58 11.50 o 0 5 5 750.68 742.08 8.24 o 1 5 5 2.30 6.51 1.98 o 2 5 5 73.07 72.87 5.91 o 3 5 5 155.42 146.96 1.72 o 4 5 5 35.11 40.17 0.94 o -3 6 5 21.19 23.17 0.86 o -2 6 5 2.85 2.97 0.18 o -1 6 5 10.15 9.81 0.19 o 0 6 5 174.99 176.23 1.99 o 1 6 5 248.05 244.35 1.93 o 2 6 5 5.58 4.99 0.18 o 3 6 5 30.12 33.50 0.90 o -1 7 5 58.19 64.96 0.43 o 0 7 5 18.87 20.14 0.21 o 1 7 5 3.93 4.41 0.14 o -5 0 6 9.16 9.87 0.33 o -4 0 6 118.80 146.17 1.55 o -3 0 6 82.58 89.43 0.86 o -2 0 6 2626.70 2478.39 2.91 o -1 0 6 15.05 13.39 0.14 o 0 0 6 4852.56 5053.04 73.91 o 1 0 6 172.97 193.62 5.83 o 2 0 6 16.31 24.15 0.43 o 3 0 6 40.18 28.33 0.55 o -5 1 6 185.71 175.22 0.76 o -4 1 6 131.44 144.32 3.02 o -3 1 6 762.20 801.23 13.66 o -2 1 6 1191.85 1118.27 5.85 o -1 1 6 222.55 232.19 1.60 o 0 1 6 3915.40 4047.30 41.49 o 1 1 6 11694.80 9811.50 384.45 o 3 1 6 476.50 453.17 35.15 o 4 1 6 106.58 107.27 3.08 o -5 2 6 27.85 26.30 0.29 o -4 2 6 19.56 21.80 0.47 o -3 2 6 4.91 5.73 0.55 o -2 2 6 17.70 16.93 2.78 o -1 2 6 13.62 13.19 0.18 o 0 2 6 836.61 836.45 9.81 o 1 2 6 8.04 10.00 0.14 o 2 2 6 1607.72 1539.30 22.39 o 3 2 6 3.54 3.90 0.30 o 4 2 6 148.76 158.67 1.45 o -5 3 6 277.93 262.13 2.55 o -4 3 6 446.27 430.67 3.24 o -3 3 6 785.69 797.41 55.42 o -2 3 6 692.83 662.43 28.53 o -1 3 6 1819.65 1651.48 15.79 o 0 3 6 340.30 318.40 3.95 o 1 3 6 766.74 709.19 20.57 o 2 3 6 766.69 798.66 59.56 o 3 3 6 2289.28 2476.20 96.09 o 4 3 6 280.80 265.96 1.47 o 5 3 6 40.50 36.87 0.43 o -4 4 6 148.91 138.18 0.66 o -3 4 6 77.89 76.00 4.01 o -2 4 6 5.29 4.71 0.62 o -1 4 6 113.18 116.14 5.63 o 0 4 6 19.68 21.53 0.79 o 1 4 6 164.53 166.20 5.87 o 2 4 6 18.90 20.35 2.51 o 3 4 6 24.08 25.02 1.45 o 4 4 6 9.69 8.44 0.27 o -4 5 6 58.75 61.35 0.42 o -3 5 6 4.56 5.52 0.42 o -2 5 6 332.76 318.96 10.05 o -1 5 6 40.70 39.90 0.35 o 0 5 6 399.21 391.06 3.59 o 1 5 6 424.39 440.59 13.91 o 2 5 6 418.08 424.73 26.74 o 3 5 6 53.36 50.72 1.33 o 4 5 6 74.65 78.98 0.49 o -3 6 6 0.26 0.47 0.14 o -2 6 6 56.24 56.15 0.46 o -1 6 6 4.68 4.46 0.14 o 0 6 6 5.46 5.82 0.16 o 1 6 6 4.98 5.20 0.16 o 2 6 6 20.50 20.35 0.53 o 3 6 6 0.06 0.32 0.13 o -1 7 6 192.94 211.03 1.54 o 0 7 6 470.84 499.61 2.39 o 1 7 6 434.67 493.02 4.35 o -5 1 7 134.43 125.16 0.63 o -4 1 7 459.72 526.01 11.53 o -3 1 7 327.77 346.56 5.74 o -2 1 7 139.67 136.28 0.57 o -1 1 7 320.84 310.51 1.13 o 0 1 7 1143.63 1172.60 11.04 o 1 1 7 792.86 844.54 39.48 o 2 1 7 301.96 180.39 68.48 o 3 1 7 124.67 89.08 22.94 o 4 1 7 533.56 480.50 2.40 o -5 2 7 0.01 1.31 0.76 o -4 2 7 419.27 454.98 9.27 o -3 2 7 57.73 67.21 3.57 o -2 2 7 109.47 110.08 4.74 o -1 2 7 72.33 64.01 0.57 o 0 2 7 333.39 338.67 3.73 o 1 2 7 95.05 100.06 1.34 o 2 2 7 1017.14 990.79 29.31 o 3 2 7 143.85 129.52 27.95 o 4 2 7 94.65 96.31 1.10 o -5 3 7 21.59 22.19 0.27 o -4 3 7 5.47 5.58 0.22 o -3 3 7 404.95 412.44 24.19 o -2 3 7 44.73 56.94 3.30 o -1 3 7 61.59 67.24 0.89 o 0 3 7 244.59 221.39 2.88 o 1 3 7 20.83 19.75 0.81 o 2 3 7 79.38 88.49 7.88 o 3 3 7 410.85 455.02 1.97 o 4 3 7 0.16 0.95 0.24 o 5 3 7 17.64 17.25 0.33 o -4 4 7 35.88 35.43 0.37 o -3 4 7 0.64 1.75 0.33 o -2 4 7 186.56 181.58 10.31 o -1 4 7 9.73 11.65 0.34 o 0 4 7 28.03 30.34 0.55 o 1 4 7 64.70 67.46 1.94 o 2 4 7 45.06 51.88 8.29 o 3 4 7 46.81 44.35 1.07 o 4 4 7 25.55 24.42 0.42 o -4 5 7 0.86 1.16 0.15 o -3 5 7 137.29 138.50 2.19 o -2 5 7 140.61 142.10 3.65 o -1 5 7 294.62 288.13 2.63 o 0 5 7 599.80 577.70 8.52 o 1 5 7 21.47 21.84 0.59 o 2 5 7 60.48 63.22 4.50 o 3 5 7 114.08 108.31 0.60 o -3 6 7 16.54 18.40 0.29 o -2 6 7 4.12 3.83 0.18 o -1 6 7 52.99 52.55 0.35 o 0 6 7 3.39 3.39 0.20 o 1 6 7 71.65 70.07 0.62 o 2 6 7 13.91 13.24 0.23 o -1 7 7 25.75 27.24 0.23 o 0 7 7 42.56 44.37 0.30 o -5 0 8 295.94 286.74 1.39 o -4 0 8 22.31 24.18 0.62 o -3 0 8 980.01 1003.25 2.78 o -2 0 8 3.97 3.28 0.14 o -1 0 8 870.18 842.94 1.05 o 0 0 8 1087.42 1170.40 7.39 o 1 0 8 1935.45 2023.74 55.02 o 2 0 8 232.52 234.09 1.26 o 3 0 8 486.41 446.43 2.57 o 4 0 8 8.99 5.04 0.31 o -5 1 8 174.45 164.17 0.72 o -4 1 8 881.50 976.94 14.21 o -3 1 8 536.97 553.32 9.13 o -2 1 8 708.01 670.79 1.15 o -1 1 8 605.36 571.76 2.87 o 0 1 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