#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2014395.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2014395_Fobs loop_ _publ_author_name 'Boechat, Nubia' 'Ferreira, Sabrina B.' 'Glidewell, Christopher' 'Low, John N.' 'Skakle, Janet M. S.' 'Wardell, Solange M. S. V.' _publ_section_title ; 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused R~2~^2^(8) and R~4~^4^(10) rings, and sheets of R~2~^2^(8) and R~6~^6^(20) rings ; _journal_coeditor_code SK1892 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o42 _journal_page_last o44 _journal_volume 62 _journal_year 2006 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 109.984 _cell_angle_gamma 90.000 _cell_length_a 5.5718 _cell_length_b 13.4573 _cell_length_c 5.7875 _exptl_crystal_F_000 208.00 _reflns_d_resolution_high 0.7664 _[local]_cod_data_source_file sk1892Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' s740m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 76.80 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y+1/2, z+1/2' '-x, -y, -z' '-x-1/2, 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 2 0 0 196.92 200.97 5.91 o 4 0 0 347.73 357.90 10.63 o 6 0 0 338.61 388.67 28.45 o 1 1 0 1746.87 1596.72 34.77 o 2 1 0 1132.10 1043.49 22.26 o 3 1 0 12.11 14.79 1.08 o 4 1 0 198.62 200.07 4.21 o 5 1 0 283.91 293.84 8.13 o 6 1 0 39.34 33.87 4.66 o 0 2 0 28.64 41.25 4.71 o 1 2 0 672.20 696.52 19.82 o 2 2 0 886.66 910.44 19.16 o 3 2 0 1422.93 1412.18 29.21 o 4 2 0 227.50 248.39 5.78 o 5 2 0 0.37 2.03 1.45 o 6 2 0 67.69 62.76 4.02 o 1 3 0 5458.48 5162.94 149.09 o 2 3 0 63.34 59.66 1.66 o 3 3 0 219.89 226.14 5.38 o 4 3 0 18.59 18.50 1.11 o 5 3 0 515.23 597.44 15.93 o 6 3 0 0.22 3.32 2.23 o 0 4 0 4684.78 4080.66 199.50 o 1 4 0 5897.76 5579.12 186.86 o 2 4 0 31.17 31.33 3.78 o 3 4 0 202.81 192.46 4.46 o 4 4 0 200.51 209.66 5.80 o 5 4 0 24.64 23.07 1.38 o 6 4 0 105.45 125.07 6.96 o 1 5 0 31.87 37.78 4.34 o 2 5 0 455.23 468.38 12.16 o 3 5 0 3.13 3.09 1.75 o 4 5 0 290.79 288.46 10.01 o 5 5 0 77.91 83.96 5.34 o 6 5 0 80.25 73.56 9.47 o 0 6 0 228.26 207.52 15.20 o 1 6 0 10.55 13.19 4.52 o 2 6 0 1314.50 1320.77 35.42 o 3 6 0 101.82 114.07 3.62 o 4 6 0 588.47 649.35 21.04 o 5 6 0 2.72 3.60 3.65 o 6 6 0 203.73 207.51 16.39 o 1 7 0 666.91 611.71 28.66 o 2 7 0 1813.55 1736.36 50.96 o 3 7 0 45.11 42.38 3.20 o 4 7 0 113.23 121.03 7.06 o 5 7 0 148.41 155.67 8.83 o 6 7 0 4.63 8.26 3.43 o 0 8 0 575.46 540.45 54.90 o 1 8 0 948.79 906.61 32.32 o 2 8 0 118.10 116.32 6.85 o 3 8 0 355.58 361.15 12.33 o 4 8 0 0.47 3.12 4.43 o 5 8 0 3.73 2.19 2.56 o 6 8 0 11.10 46.62 60.07 o 1 9 0 307.04 284.16 16.00 o 2 9 0 2.42 4.59 3.05 o 3 9 0 4.93 9.31 3.20 o 4 9 0 29.75 33.68 3.83 o 5 9 0 349.45 333.95 21.22 o 0 10 0 214.88 153.31 19.91 o 1 10 0 18.36 19.92 4.20 o 2 10 0 36.55 30.01 5.83 o 3 10 0 953.27 992.34 39.02 o 4 10 0 77.59 85.74 7.31 o 5 10 0 5.05 4.29 4.09 o 1 11 0 73.42 62.15 9.10 o 2 11 0 738.09 720.29 30.29 o 3 11 0 51.77 46.23 4.30 o 4 11 0 94.10 95.56 5.54 o 5 11 0 0.78 -4.97 10.67 o 0 12 0 655.98 649.25 81.38 o 1 12 0 0.25 4.86 4.24 o 2 12 0 0.04 0.38 10.63 o 3 12 0 16.80 11.85 8.30 o 4 12 0 49.34 59.04 8.56 o 1 13 0 52.35 42.58 8.52 o 2 13 0 130.54 100.07 11.30 o 3 13 0 14.78 15.46 5.31 o 4 13 0 254.51 222.46 18.61 o 0 14 0 15.81 17.21 5.02 o 1 14 0 65.56 65.48 10.91 o 2 14 0 38.12 30.93 7.69 o 3 14 0 356.84 387.04 42.75 o 4 14 0 26.00 22.81 14.81 o 1 15 0 166.24 177.78 16.59 o 2 15 0 3.50 8.42 8.14 o 3 15 0 42.18 35.58 13.00 o 0 16 0 56.96 28.32 14.94 o 1 16 0 73.21 92.38 16.47 o 2 16 0 0.26 0.37 7.55 o 1 17 0 16.00 22.98 7.51 o -7 0 1 316.05 281.05 34.36 o -5 0 1 163.10 166.12 6.54 o -3 0 1 1194.34 1242.75 36.39 o -1 0 1 1009.77 997.12 28.58 o 1 0 1 36.65 39.01 2.55 o 3 0 1 1931.61 2068.31 54.12 o 5 0 1 46.70 36.63 2.89 o -7 1 1 24.43 10.31 5.11 o -6 1 1 38.28 36.74 2.17 o -5 1 1 95.40 94.26 3.63 o -4 1 1 257.06 257.97 5.34 o -3 1 1 36.16 42.13 2.07 o -2 1 1 602.46 562.88 12.29 o -1 1 1 1192.85 1182.86 29.69 o 0 1 1 672.68 696.64 15.39 o 1 1 1 205.42 188.19 3.72 o 2 1 1 1183.85 1124.09 21.36 o 3 1 1 43.88 40.96 1.36 o 4 1 1 41.07 41.42 1.89 o 5 1 1 196.41 208.88 6.80 o 6 1 1 0.32 1.93 2.73 o -7 2 1 0.04 -0.73 4.18 o -6 2 1 3.88 8.36 2.45 o -5 2 1 7.54 7.63 1.00 o -4 2 1 222.19 232.48 5.27 o -3 2 1 278.33 277.10 5.91 o -2 2 1 115.30 108.16 2.64 o -1 2 1 787.49 749.52 24.01 o 0 2 1 2240.26 2133.39 54.27 o 1 2 1 681.95 642.17 13.77 o 2 2 1 155.03 158.55 3.70 o 3 2 1 75.43 71.37 1.88 o 4 2 1 193.40 182.07 4.96 o 5 2 1 0.79 0.55 1.24 o 6 2 1 11.17 12.63 5.96 o -7 3 1 1.33 31.78 50.91 o -6 3 1 60.50 58.11 5.77 o -5 3 1 45.50 46.50 4.22 o -4 3 1 519.33 532.14 13.27 o -3 3 1 23.62 28.07 1.56 o -2 3 1 1265.79 1281.86 31.85 o -1 3 1 189.63 198.90 11.82 o 0 3 1 300.79 340.67 10.42 o 1 3 1 798.70 801.27 20.29 o 2 3 1 1091.68 1107.61 22.19 o 3 3 1 7.07 8.08 1.09 o 4 3 1 444.88 452.32 10.73 o 5 3 1 6.13 4.71 1.36 o 6 3 1 55.21 68.72 6.21 o -6 4 1 290.72 313.60 13.64 o -5 4 1 26.27 22.08 3.93 o -4 4 1 37.60 41.81 3.86 o -3 4 1 498.98 493.56 12.11 o -2 4 1 142.74 146.90 3.68 o -1 4 1 775.71 724.33 39.91 o 0 4 1 215.75 219.07 10.05 o 1 4 1 121.85 118.61 5.90 o 2 4 1 547.68 600.43 14.40 o 3 4 1 458.13 479.02 10.16 o 4 4 1 209.86 239.40 6.61 o 5 4 1 23.48 16.79 1.74 o 6 4 1 157.75 171.98 25.53 o -6 5 1 9.17 16.64 5.14 o -5 5 1 132.92 137.03 5.17 o -4 5 1 13.89 11.14 1.78 o -3 5 1 8.61 10.27 2.01 o -2 5 1 375.85 368.41 11.79 o -1 5 1 632.79 535.76 25.18 o 0 5 1 269.85 281.00 10.45 o 1 5 1 492.41 510.00 17.46 o 2 5 1 11.03 10.32 1.24 o 3 5 1 267.36 263.02 6.35 o 4 5 1 12.67 16.21 2.19 o 5 5 1 58.65 63.26 3.25 o 6 5 1 3.61 -5.35 5.35 o -6 6 1 0.01 -2.91 2.91 o -5 6 1 11.62 11.97 2.26 o -4 6 1 19.53 17.67 2.24 o -3 6 1 787.66 805.04 24.98 o -2 6 1 33.41 32.73 2.22 o -1 6 1 611.16 578.13 25.47 o 0 6 1 239.34 222.78 16.20 o 1 6 1 763.55 773.48 24.23 o 2 6 1 42.33 42.49 3.05 o 3 6 1 353.59 341.57 8.67 o 4 6 1 15.80 15.20 1.84 o 5 6 1 1.06 -1.28 5.47 o 6 6 1 7.46 12.11 20.24 o -6 7 1 2.86 1.84 7.81 o -5 7 1 404.81 424.08 22.84 o -4 7 1 46.43 43.37 3.70 o -3 7 1 26.75 26.66 1.40 o -2 7 1 855.78 834.28 24.98 o -1 7 1 60.68 61.25 6.82 o 0 7 1 63.69 66.07 9.37 o 1 7 1 1027.57 1095.64 38.75 o 2 7 1 112.68 108.79 14.05 o 3 7 1 4.17 3.94 1.46 o 4 7 1 180.39 168.15 7.00 o 5 7 1 277.27 288.59 16.20 o -6 8 1 169.03 176.00 12.43 o -5 8 1 25.58 22.07 5.04 o -4 8 1 53.65 53.88 2.93 o -3 8 1 0.14 -1.36 3.05 o -2 8 1 70.17 66.31 7.41 o -1 8 1 29.15 39.11 6.64 o 0 8 1 637.64 647.04 25.95 o 1 8 1 6.33 9.46 3.60 o 2 8 1 53.98 54.27 2.61 o 3 8 1 32.92 41.00 2.26 o 4 8 1 124.00 138.92 7.84 o 5 8 1 0.77 2.37 9.41 o -6 9 1 2.34 -0.67 9.98 o -5 9 1 30.03 15.72 10.32 o -4 9 1 25.99 26.27 4.42 o -3 9 1 155.45 150.48 9.51 o -2 9 1 532.27 540.55 24.13 o -1 9 1 102.84 103.44 15.41 o 0 9 1 58.97 59.20 5.18 o 1 9 1 3.98 3.24 3.11 o 2 9 1 452.24 438.86 22.86 o 3 9 1 61.09 66.55 5.16 o 4 9 1 1.18 1.22 3.98 o 5 9 1 0.27 2.14 7.86 o -5 10 1 0.14 4.63 12.30 o -4 10 1 240.45 268.30 13.36 o -3 10 1 197.10 197.86 11.01 o -2 10 1 35.67 32.17 4.24 o -1 10 1 21.14 27.98 8.73 o 0 10 1 656.38 654.27 35.81 o 1 10 1 95.88 86.05 9.91 o 2 10 1 105.97 89.15 7.62 o 3 10 1 111.01 116.53 9.26 o 4 10 1 76.90 74.90 7.72 o 5 10 1 8.14 12.59 10.37 o -5 11 1 137.29 128.21 10.12 o -4 11 1 100.83 107.10 8.65 o -3 11 1 18.24 14.76 5.26 o -2 11 1 106.68 105.09 12.20 o -1 11 1 427.62 326.12 32.24 o 0 11 1 70.59 69.90 10.37 o 1 11 1 217.15 194.51 14.03 o 2 11 1 14.50 11.53 7.91 o 3 11 1 2.37 1.50 2.21 o 4 11 1 32.35 2.93 14.52 o -5 12 1 27.09 30.61 22.78 o -4 12 1 3.99 4.26 9.32 o -3 12 1 62.04 66.83 6.83 o -2 12 1 7.64 1.77 10.75 o -1 12 1 27.76 33.97 7.56 o 0 12 1 13.24 16.74 7.08 o 1 12 1 108.07 96.85 7.56 o 2 12 1 4.08 5.32 2.62 o 3 12 1 75.94 102.36 11.81 o 4 12 1 15.46 22.23 14.18 o -4 13 1 94.17 85.45 18.79 o -3 13 1 129.26 132.22 13.67 o -2 13 1 0.02 19.01 13.26 o -1 13 1 325.76 378.01 25.90 o 0 13 1 0.49 3.49 8.53 o 1 13 1 144.30 142.60 14.58 o 2 13 1 146.01 135.40 10.54 o 3 13 1 9.91 10.33 6.10 o 4 13 1 1.93 15.12 24.68 o -4 14 1 125.39 46.44 25.19 o -3 14 1 14.28 24.88 5.37 o -2 14 1 49.96 27.96 23.06 o -1 14 1 4.21 3.45 5.61 o 0 14 1 314.75 360.55 20.42 o 1 14 1 2.47 23.68 20.00 o 2 14 1 41.31 32.44 4.79 o 3 14 1 35.31 33.58 4.80 o -3 15 1 63.18 75.15 22.56 o -2 15 1 23.04 36.47 10.20 o -1 15 1 144.39 141.87 11.89 o 0 15 1 1.26 2.11 5.52 o 1 15 1 0.00 30.03 21.20 o 2 15 1 37.48 42.33 6.47 o 3 15 1 5.75 -4.50 58.25 o -2 16 1 0.15 11.42 11.40 o -1 16 1 1.14 -4.98 19.09 o 0 16 1 93.14 96.81 11.42 o 1 16 1 21.50 -4.49 25.28 o 2 16 1 2.63 10.40 18.44 o -1 17 1 61.18 38.87 33.73 o 0 17 1 0.53 -3.95 12.08 o -6 0 2 9.48 11.99 4.34 o -4 0 2 784.40 863.44 24.83 o -2 0 2 1534.05 1541.83 39.17 o 0 0 2 1473.88 1429.14 42.31 o 2 0 2 66.72 56.46 2.44 o 4 0 2 100.27 105.33 7.57 o -7 1 2 2.14 8.62 3.20 o -6 1 2 76.32 67.32 2.47 o -5 1 2 218.27 214.37 4.91 o -4 1 2 249.34 229.17 5.29 o -3 1 2 119.44 111.06 2.53 o -2 1 2 25.56 25.34 0.83 o -1 1 2 3.90 4.68 1.16 o 0 1 2 1414.49 1386.60 28.28 o 1 1 2 486.22 494.51 9.38 o 2 1 2 229.59 207.71 4.29 o 3 1 2 97.21 93.06 2.64 o 4 1 2 0.52 -0.22 1.87 o 5 1 2 8.78 6.93 1.78 o -7 2 2 29.03 30.52 3.75 o -6 2 2 136.50 131.32 6.32 o -5 2 2 720.69 786.55 21.30 o -4 2 2 89.17 83.65 3.45 o -3 2 2 0.66 4.47 0.51 o -2 2 2 28.37 25.91 1.68 o -1 2 2 393.69 419.96 9.11 o 0 2 2 2.60 1.27 0.84 o 1 2 2 541.39 462.15 9.19 o 2 2 2 8.70 11.71 0.99 o 3 2 2 159.24 151.43 3.77 o 4 2 2 103.11 98.75 3.24 o 5 2 2 97.93 96.30 4.70 o -7 3 2 74.54 63.75 10.17 o -6 3 2 43.72 45.37 3.30 o -5 3 2 132.51 135.83 6.17 o -4 3 2 28.50 30.68 1.55 o -3 3 2 0.02 1.68 1.19 o -2 3 2 37.53 40.01 2.12 o -1 3 2 1852.49 2081.41 60.96 o 0 3 2 562.44 584.14 12.99 o 1 3 2 84.82 81.05 2.30 o 2 3 2 30.83 32.76 1.39 o 3 3 2 134.71 130.15 3.44 o 4 3 2 1.45 3.00 1.39 o 5 3 2 82.75 79.75 4.73 o -7 4 2 24.36 16.08 5.03 o -6 4 2 29.52 28.09 4.04 o -5 4 2 1.50 3.39 1.58 o -4 4 2 211.95 228.96 7.48 o -3 4 2 989.44 1035.39 25.74 o -2 4 2 135.88 141.15 4.39 o -1 4 2 113.00 152.83 8.68 o 0 4 2 328.72 356.85 9.33 o 1 4 2 790.61 755.26 16.45 o 2 4 2 4.53 7.94 1.32 o 3 4 2 15.61 17.11 1.16 o 4 4 2 47.87 48.81 2.18 o 5 4 2 13.74 11.33 3.07 o -6 5 2 9.10 6.86 4.50 o -5 5 2 8.55 8.94 2.21 o -4 5 2 625.70 632.19 18.50 o -3 5 2 109.26 110.47 4.47 o -2 5 2 138.88 155.35 7.19 o -1 5 2 92.96 85.69 5.36 o 0 5 2 136.21 125.85 4.25 o 1 5 2 91.41 94.28 2.81 o 2 5 2 573.69 555.15 12.61 o 3 5 2 13.56 15.93 1.15 o 4 5 2 9.03 7.25 2.04 o 5 5 2 72.97 42.17 8.78 o -6 6 2 349.56 381.69 25.34 o -5 6 2 2.26 3.52 3.86 o -4 6 2 129.36 120.13 7.48 o -3 6 2 2.61 2.05 1.95 o -2 6 2 147.23 125.31 8.22 o -1 6 2 74.20 79.64 4.04 o 0 6 2 334.73 329.61 9.59 o 1 6 2 171.70 187.38 6.97 o 2 6 2 4.06 4.12 1.49 o 3 6 2 16.75 18.44 2.20 o 4 6 2 236.71 251.99 9.16 o 5 6 2 14.12 12.82 3.14 o -6 7 2 0.08 -4.20 5.76 o -5 7 2 26.10 28.05 3.86 o -4 7 2 93.02 94.17 5.58 o -3 7 2 49.91 54.09 4.00 o -2 7 2 449.06 462.92 13.07 o -1 7 2 580.71 592.82 20.23 o 0 7 2 184.74 189.15 6.86 o 1 7 2 2.45 4.93 1.95 o 2 7 2 212.66 211.19 6.86 o 3 7 2 5.44 4.40 2.87 o 4 7 2 0.24 4.42 1.99 o 5 7 2 60.80 74.45 7.09 o -6 8 2 11.40 13.05 7.51 o -5 8 2 11.91 12.98 5.07 o -4 8 2 0.47 2.21 3.19 o -3 8 2 500.09 508.14 15.69 o -2 8 2 237.82 230.44 9.79 o -1 8 2 42.85 48.22 3.35 o 0 8 2 0.02 2.40 2.29 o 1 8 2 368.38 349.21 17.17 o 2 8 2 112.00 112.37 6.77 o 3 8 2 66.74 65.18 3.16 o 4 8 2 17.62 15.11 2.38 o 5 8 2 38.98 6.28 7.49 o -6 9 2 2.47 -5.89 9.35 o -5 9 2 49.60 42.32 6.69 o -4 9 2 24.14 24.73 3.64 o -3 9 2 449.89 423.91 14.24 o -2 9 2 0.32 3.83 5.00 o -1 9 2 68.73 64.72 4.73 o 0 9 2 38.04 33.04 6.71 o 1 9 2 39.28 40.32 5.94 o 2 9 2 60.14 57.82 2.96 o 3 9 2 167.06 177.77 6.94 o 4 9 2 55.33 51.96 4.07 o -5 10 2 120.64 106.14 24.89 o -4 10 2 0.01 4.53 6.04 o -3 10 2 26.57 30.05 5.05 o -2 10 2 57.53 56.20 4.24 o -1 10 2 67.68 64.43 7.56 o 0 10 2 135.95 135.45 11.63 o 1 10 2 79.31 64.05 6.35 o 2 10 2 23.68 22.08 4.39 o 3 10 2 72.54 78.26 3.84 o 4 10 2 49.89 59.16 6.00 o -5 11 2 3.59 9.32 7.35 o -4 11 2 60.69 61.30 7.87 o -3 11 2 5.89 24.99 11.00 o -2 11 2 306.43 333.16 15.66 o -1 11 2 86.38 73.49 7.16 o 0 11 2 170.05 144.88 9.11 o 1 11 2 15.31 3.29 11.50 o 2 11 2 111.72 127.37 8.20 o 3 11 2 56.37 49.23 8.32 o 4 11 2 5.48 5.62 9.32 o -5 12 2 2.20 -7.81 10.65 o -4 12 2 1.33 5.51 6.08 o -3 12 2 17.77 16.31 3.21 o -2 12 2 382.60 462.15 22.23 o -1 12 2 1.86 4.65 5.00 o 0 12 2 35.32 25.65 4.28 o 1 12 2 27.60 25.68 7.30 o 2 12 2 50.71 46.36 11.80 o 3 12 2 1.88 11.94 21.43 o -4 13 2 94.38 101.38 13.90 o -3 13 2 51.03 54.91 6.71 o -2 13 2 2.49 1.46 8.84 o -1 13 2 72.96 70.94 8.49 o 0 13 2 6.36 29.15 19.90 o 1 13 2 4.47 6.51 11.81 o 2 13 2 50.49 53.60 9.14 o 3 13 2 116.47 133.15 18.14 o -4 14 2 12.25 16.06 7.51 o -3 14 2 57.79 81.21 10.41 o -2 14 2 0.01 14.76 14.78 o -1 14 2 26.87 23.94 7.53 o 0 14 2 11.92 50.72 20.74 o 1 14 2 93.59 86.51 13.39 o 2 14 2 5.18 25.25 23.17 o 3 14 2 38.83 -25.66 74.10 o -3 15 2 6.92 16.97 16.25 o -2 15 2 12.42 22.62 11.31 o -1 15 2 229.92 273.47 21.31 o 0 15 2 0.93 -0.06 7.48 o 1 15 2 6.00 33.50 31.97 o 2 15 2 4.14 10.18 14.69 o -2 16 2 76.71 110.12 24.59 o -1 16 2 16.84 26.12 16.27 o 0 16 2 24.97 29.96 20.43 o 1 16 2 4.22 7.81 7.19 o -7 0 3 15.87 20.56 15.36 o -5 0 3 455.20 470.84 18.41 o -3 0 3 364.92 341.42 12.05 o -1 0 3 203.84 215.53 8.01 o 1 0 3 61.73 45.77 4.01 o 3 0 3 645.57 674.00 20.56 o 5 0 3 289.58 325.62 26.11 o -7 1 3 147.75 168.26 17.31 o -6 1 3 22.43 18.57 2.48 o -5 1 3 89.18 83.91 2.95 o -4 1 3 49.56 41.09 2.50 o -3 1 3 891.65 915.39 18.90 o -2 1 3 292.90 308.89 6.74 o -1 1 3 1605.43 1577.17 30.10 o 0 1 3 236.83 228.42 5.32 o 1 1 3 19.60 18.80 1.32 o 2 1 3 64.02 67.07 1.92 o 3 1 3 588.59 630.15 14.23 o 4 1 3 0.28 0.93 1.55 o 5 1 3 79.15 77.37 6.03 o -7 2 3 0.29 -2.92 10.01 o -6 2 3 178.70 175.30 7.74 o -5 2 3 58.90 54.30 3.87 o -4 2 3 27.89 28.48 1.43 o -3 2 3 252.61 238.92 5.18 o -2 2 3 2042.58 2131.54 47.89 o -1 2 3 7.18 6.16 1.35 o 0 2 3 1119.97 1153.87 24.30 o 1 2 3 863.47 850.34 17.01 o 2 2 3 1376.20 1352.28 28.08 o 3 2 3 22.42 24.18 1.63 o 4 2 3 101.35 103.83 21.04 o 5 2 3 0.00 -3.36 4.50 o -7 3 3 0.86 8.99 7.68 o -6 3 3 50.31 47.82 3.13 o -5 3 3 14.30 13.92 1.61 o -4 3 3 684.98 685.01 17.22 o -3 3 3 166.21 183.55 5.27 o -2 3 3 28.09 22.85 1.08 o -1 3 3 0.05 0.37 1.77 o 0 3 3 344.76 331.65 7.51 o 1 3 3 0.84 0.51 0.94 o 2 3 3 571.52 558.19 13.83 o 3 3 3 38.95 37.09 2.99 o 5 3 3 0.14 -4.43 4.43 o -7 4 3 5.35 -7.78 7.78 o -6 4 3 221.92 250.79 11.01 o -5 4 3 37.28 35.13 1.91 o -4 4 3 71.56 74.89 2.66 o -3 4 3 159.85 152.63 4.99 o -2 4 3 942.03 1002.65 25.94 o -1 4 3 0.49 1.44 1.67 o 0 4 3 19.80 18.33 1.13 o 1 4 3 22.23 19.01 1.49 o 2 4 3 4.52 5.38 1.09 o 3 4 3 88.59 85.98 4.18 o 4 4 3 650.84 721.21 27.11 o 5 4 3 33.07 23.79 8.14 o -6 5 3 16.84 14.61 5.07 o -5 5 3 34.21 35.48 2.49 o -4 5 3 278.28 286.81 10.42 o -3 5 3 337.24 346.60 11.13 o -2 5 3 5.39 8.29 2.48 o -1 5 3 1924.23 2194.70 56.41 o 0 5 3 602.14 627.96 14.72 o 1 5 3 77.05 73.65 2.24 o 2 5 3 119.86 123.90 4.27 o 3 5 3 425.01 451.52 13.60 o 4 5 3 12.98 13.44 2.37 o -6 6 3 12.05 10.05 3.50 o -5 6 3 277.02 297.23 13.98 o -4 6 3 31.40 31.10 2.23 o -3 6 3 490.86 496.90 13.97 o -2 6 3 92.54 115.79 5.42 o -1 6 3 44.71 41.47 4.26 o 0 6 3 5.34 35.01 72.55 o 1 6 3 1819.16 1893.00 44.26 o 2 6 3 10.23 9.98 2.76 o 3 6 3 15.40 14.92 1.52 o 4 6 3 43.08 41.62 5.01 o -6 7 3 0.74 0.43 5.60 o -5 7 3 34.76 33.55 4.77 o -4 7 3 209.62 212.67 11.95 o -3 7 3 209.75 211.82 6.89 o -2 7 3 3.85 5.33 2.65 o -1 7 3 130.07 132.12 5.26 o 0 7 3 20.37 21.24 2.08 o 1 7 3 82.95 81.31 3.55 o 2 7 3 120.85 133.13 4.15 o 3 7 3 171.26 177.19 6.47 o 4 7 3 4.61 1.82 2.43 o -6 8 3 110.13 133.11 15.04 o -5 8 3 165.97 179.82 15.33 o -4 8 3 4.93 4.07 2.29 o -3 8 3 59.49 64.21 3.67 o -2 8 3 698.03 705.79 25.29 o -1 8 3 237.65 234.05 15.23 o 0 8 3 79.13 69.80 3.12 o 1 8 3 72.80 67.01 4.57 o 2 8 3 17.83 15.02 1.94 o 3 8 3 107.00 96.17 4.36 o 4 8 3 332.17 364.85 17.71 o -6 9 3 49.91 46.72 6.35 o -5 9 3 1.73 20.36 32.43 o -4 9 3 408.09 436.08 17.29 o -3 9 3 20.40 23.52 2.54 o -2 9 3 108.71 110.81 7.63 o -1 9 3 4.34 4.81 2.63 o 0 9 3 1161.18 1196.92 41.92 o 1 9 3 0.00 -0.43 3.63 o 2 9 3 223.49 232.44 8.83 o 3 9 3 25.36 19.44 4.38 o 4 9 3 25.43 11.74 3.81 o -5 10 3 71.85 70.68 6.67 o -4 10 3 0.01 6.16 3.47 o -3 10 3 95.24 94.01 5.53 o -2 10 3 102.43 125.37 16.02 o -1 10 3 21.64 20.33 5.95 o 0 10 3 281.74 285.81 18.91 o 1 10 3 199.16 201.91 8.95 o 2 10 3 141.66 143.35 7.99 o 3 10 3 1.88 5.89 3.42 o -5 11 3 56.43 52.78 5.97 o -4 11 3 71.84 62.68 6.30 o -3 11 3 127.62 131.31 7.86 o -2 11 3 30.75 31.20 7.14 o -1 11 3 143.72 147.44 7.49 o 0 11 3 13.81 16.74 3.95 o 1 11 3 28.72 29.81 10.27 o 2 11 3 109.54 96.64 6.35 o 3 11 3 120.39 128.67 8.53 o -5 12 3 165.68 144.44 12.28 o -4 12 3 0.12 13.64 30.02 o -3 12 3 220.44 259.16 11.68 o -2 12 3 0.01 23.99 13.10 o -1 12 3 221.29 216.57 16.04 o 0 12 3 13.50 7.39 7.91 o 1 12 3 255.42 286.11 15.75 o 2 12 3 10.90 5.79 2.83 o 3 12 3 89.47 106.00 18.99 o -4 13 3 85.34 87.46 10.25 o -3 13 3 11.41 6.10 12.85 o -2 13 3 2.70 6.64 6.69 o -1 13 3 302.77 332.10 22.91 o 0 13 3 130.36 137.89 9.35 o 1 13 3 13.69 16.95 10.97 o 2 13 3 68.79 64.97 11.31 o -3 14 3 0.05 0.51 4.99 o -2 14 3 84.93 87.79 12.02 o -1 14 3 1.23 2.19 10.00 o 0 14 3 103.25 117.75 27.66 o 1 14 3 62.03 62.35 9.47 o -3 15 3 10.62 -3.17 25.28 o -2 15 3 2.51 17.08 7.60 o -1 15 3 14.89 23.46 6.75 o 0 15 3 78.19 86.01 10.78 o 1 15 3 2.38 -5.23 6.34 o -1 16 3 19.56 -28.73 61.73 o -6 0 4 67.95 60.34 10.66 o -4 0 4 119.94 114.31 5.28 o -2 0 4 1165.41 1187.08 34.50 o 0 0 4 123.22 117.40 3.84 o 2 0 4 247.32 244.86 8.56 o 4 0 4 30.58 28.78 3.77 o -7 1 4 48.20 29.03 10.94 o -6 1 4 55.69 49.75 4.03 o -5 1 4 0.48 2.75 2.86 o -4 1 4 734.97 740.86 19.25 o -3 1 4 0.02 2.55 1.78 o -2 1 4 13.59 14.24 1.50 o -1 1 4 185.33 183.88 4.42 o 0 1 4 427.26 381.18 8.66 o 1 1 4 27.79 25.88 1.71 o 2 1 4 591.60 624.52 12.59 o 3 1 4 10.14 9.53 1.84 o 4 1 4 22.62 15.65 2.93 o -7 2 4 0.21 -9.47 9.47 o -6 2 4 85.59 74.21 4.30 o -5 2 4 668.97 730.82 19.87 o -4 2 4 64.01 62.21 2.19 o -3 2 4 148.35 151.27 4.02 o -2 2 4 27.83 26.72 1.41 o -1 2 4 32.38 32.28 1.66 o 0 2 4 111.69 100.70 3.88 o 1 2 4 847.07 828.42 16.76 o 2 2 4 7.89 10.08 1.30 o 3 2 4 173.01 188.81 8.02 o 4 2 4 119.71 122.10 6.99 o -6 3 4 0.11 4.66 2.38 o -5 3 4 109.48 111.73 4.32 o -4 3 4 87.73 88.60 3.28 o -3 3 4 164.08 178.76 6.59 o -2 3 4 39.64 39.81 1.71 o -1 3 4 737.39 744.75 16.73 o 0 3 4 0.57 0.62 1.12 o 1 3 4 7.46 5.09 1.60 o 2 3 4 81.95 84.66 3.24 o 3 3 4 182.40 196.68 7.26 o 4 3 4 21.57 22.28 2.95 o -6 4 4 24.53 28.44 5.75 o -5 4 4 60.62 68.27 3.62 o -4 4 4 8.04 9.12 2.42 o -3 4 4 754.30 788.03 18.74 o -2 4 4 100.64 110.09 3.30 o -1 4 4 188.67 183.47 7.18 o 0 4 4 3.74 4.90 1.18 o 1 4 4 541.86 538.75 14.29 o 2 4 4 42.02 30.37 3.74 o 3 4 4 1.26 0.13 2.81 o 4 4 4 7.26 11.96 4.25 o -6 5 4 136.90 150.26 11.19 o -5 5 4 31.79 30.92 3.53 o -4 5 4 380.42 385.16 12.73 o -3 5 4 240.59 242.52 8.05 o -2 5 4 47.01 48.37 2.32 o -1 5 4 48.06 43.01 2.59 o 0 5 4 527.79 513.98 12.69 o 1 5 4 123.68 125.71 4.19 o 2 5 4 329.63 323.10 12.24 o 3 5 4 222.28 243.14 13.02 o 4 5 4 4.32 -1.24 2.93 o -6 6 4 191.08 217.52 15.13 o -5 6 4 9.56 14.45 5.43 o -4 6 4 78.12 74.24 3.19 o -3 6 4 62.04 59.52 3.12 o -2 6 4 293.71 324.88 11.27 o -1 6 4 51.05 52.61 2.38 o 0 6 4 292.66 305.45 9.49 o 1 6 4 63.55 66.15 3.41 o 2 6 4 57.15 57.59 6.63 o 3 6 4 0.89 4.48 9.19 o -6 7 4 0.26 4.70 5.30 o -5 7 4 53.70 51.14 10.50 o -4 7 4 151.11 165.84 7.78 o -3 7 4 99.68 95.15 4.14 o -2 7 4 145.67 144.76 8.36 o -1 7 4 13.98 14.72 3.84 o 0 7 4 437.13 446.84 12.28 o 1 7 4 4.05 4.79 1.80 o 2 7 4 17.98 21.92 4.77 o 3 7 4 108.19 103.81 9.82 o -6 8 4 17.78 18.64 4.31 o -5 8 4 121.80 126.43 8.93 o -4 8 4 5.81 6.12 2.64 o -3 8 4 298.02 304.39 12.01 o -2 8 4 332.50 354.51 13.27 o -1 8 4 114.13 116.34 6.82 o 0 8 4 90.43 94.54 5.98 o 1 8 4 341.09 349.23 10.24 o 2 8 4 43.44 40.70 6.10 o 3 8 4 4.85 3.14 3.26 o -5 9 4 11.48 11.63 2.74 o -4 9 4 2.36 6.01 2.96 o -3 9 4 232.12 233.78 9.76 o -2 9 4 42.02 38.18 7.64 o -1 9 4 353.32 356.62 13.90 o 0 9 4 230.34 240.24 10.12 o 1 9 4 32.68 37.43 6.88 o 2 9 4 23.55 22.88 6.60 o 3 9 4 274.71 298.62 19.70 o -5 10 4 54.27 55.42 6.13 o -4 10 4 2.38 2.05 3.27 o -3 10 4 25.99 26.87 4.50 o -2 10 4 114.47 116.40 10.13 o -1 10 4 0.16 2.99 4.52 o 0 10 4 27.96 29.45 8.03 o 1 10 4 78.79 70.95 8.48 o 2 10 4 48.80 52.45 7.39 o -5 11 4 11.27 8.62 3.99 o -4 11 4 189.03 142.95 13.34 o -3 11 4 1.64 1.93 8.42 o -2 11 4 1.82 -0.35 4.92 o -1 11 4 346.45 335.41 27.78 o 0 11 4 106.62 109.30 10.93 o 1 11 4 39.01 6.88 11.51 o 2 11 4 76.76 70.51 7.41 o -4 12 4 2.04 28.73 22.24 o -3 12 4 0.35 6.72 5.33 o -2 12 4 424.82 423.08 23.30 o -1 12 4 9.62 7.38 5.75 o 0 12 4 113.58 117.12 22.89 o 1 12 4 1.56 -1.25 3.73 o 2 12 4 75.89 68.76 16.84 o -3 13 4 17.71 12.06 10.61 o -2 13 4 0.03 29.09 23.67 o -1 13 4 226.65 214.43 17.96 o 0 13 4 0.69 -2.38 11.09 o 1 13 4 45.47 37.68 10.77 o -3 14 4 24.13 18.97 13.29 o -2 14 4 16.11 33.86 28.08 o -1 14 4 4.32 8.72 14.32 o 0 14 4 16.04 7.74 16.19 o -5 0 5 285.27 292.47 12.87 o -3 0 5 281.04 302.59 11.48 o -1 0 5 7.27 5.03 4.14 o 1 0 5 291.75 270.00 8.23 o 3 0 5 7.83 6.66 6.98 o -6 1 5 19.26 14.07 3.12 o -5 1 5 13.22 11.69 1.46 o -4 1 5 0.15 1.82 1.38 o -3 1 5 314.49 335.14 8.06 o -2 1 5 0.23 1.20 1.49 o -1 1 5 161.15 162.76 4.47 o 0 1 5 140.76 142.48 3.91 o 1 1 5 6.88 9.09 1.11 o 2 1 5 4.86 7.86 1.71 o 3 1 5 123.20 127.27 8.50 o -6 2 5 25.92 22.95 3.67 o -5 2 5 0.23 1.01 2.60 o -4 2 5 8.95 7.86 1.11 o -3 2 5 159.44 157.95 5.24 o -2 2 5 1212.38 1256.16 27.69 o -1 2 5 222.69 231.40 5.93 o 0 2 5 5.82 6.99 1.47 o 1 2 5 6.57 8.02 1.42 o 2 2 5 63.86 66.97 5.98 o 3 2 5 0.00 3.83 4.84 o -6 3 5 81.63 83.33 9.55 o -5 3 5 22.39 22.36 2.77 o -4 3 5 39.22 33.11 2.30 o -3 3 5 61.11 63.85 2.51 o -2 3 5 62.68 77.50 2.84 o -1 3 5 0.06 3.21 1.58 o 0 3 5 124.39 123.62 3.80 o 1 3 5 12.07 16.36 4.17 o 2 3 5 50.78 53.86 3.31 o 3 3 5 13.41 11.18 4.57 o -6 4 5 57.22 42.73 12.69 o -5 4 5 27.85 23.34 2.72 o -4 4 5 287.87 290.21 9.45 o -3 4 5 37.61 30.08 2.67 o -2 4 5 3.35 2.70 1.19 o -1 4 5 9.97 13.95 2.01 o 0 4 5 149.16 136.00 5.67 o 1 4 5 39.44 33.16 4.96 o 2 4 5 111.99 114.41 6.42 o 3 4 5 14.35 13.86 3.59 o -6 5 5 0.26 2.98 4.79 o -5 5 5 5.95 6.02 6.62 o -4 5 5 145.50 140.80 6.89 o -3 5 5 163.97 182.90 11.10 o -2 5 5 2.53 6.87 3.28 o -1 5 5 362.41 370.30 10.62 o 0 5 5 51.06 45.21 3.61 o 1 5 5 86.72 77.55 6.61 o 2 5 5 23.41 25.12 4.46 o 3 5 5 50.45 36.59 4.48 o -6 6 5 40.51 23.62 6.25 o -5 6 5 23.71 29.99 4.50 o -4 6 5 17.88 17.72 3.42 o -3 6 5 251.01 256.12 10.46 o -2 6 5 11.30 10.54 2.21 o -1 6 5 501.53 542.36 16.32 o 0 6 5 31.35 35.40 4.20 o 1 6 5 48.18 51.68 4.53 o 2 6 5 7.32 7.73 5.90 o -5 7 5 44.08 41.73 4.56 o -4 7 5 32.58 16.53 13.64 o -3 7 5 25.79 26.01 6.07 o -2 7 5 68.02 70.42 5.46 o -1 7 5 3.21 3.63 2.61 o 0 7 5 19.44 24.57 2.83 o 1 7 5 0.01 0.08 5.87 o 2 7 5 8.69 9.45 2.51 o -5 8 5 97.59 96.89 13.88 o -4 8 5 103.03 101.09 7.73 o -3 8 5 1.75 3.10 3.91 o -2 8 5 36.47 46.73 5.21 o -1 8 5 20.63 23.14 6.54 o 0 8 5 46.24 45.35 5.54 o 1 8 5 96.58 79.52 6.29 o 2 8 5 108.20 108.53 7.42 o -5 9 5 3.58 -2.55 4.74 o -4 9 5 175.80 173.52 14.52 o -3 9 5 0.67 5.07 5.14 o -2 9 5 0.34 4.98 9.13 o -1 9 5 32.05 31.40 6.09 o 0 9 5 335.69 349.25 13.62 o 1 9 5 0.25 4.50 4.40 o 2 9 5 5.13 8.69 12.78 o -4 10 5 1.10 9.29 4.41 o -3 10 5 10.90 0.32 7.39 o -2 10 5 116.74 121.48 8.83 o -1 10 5 74.90 72.90 8.14 o 0 10 5 37.87 30.74 5.20 o 1 10 5 27.95 20.90 10.19 o -4 11 5 0.48 3.57 4.93 o -3 11 5 72.84 76.76 16.67 o -2 11 5 7.11 12.39 6.19 o -1 11 5 1.98 2.46 14.66 o 0 11 5 0.14 23.47 21.76 o 1 11 5 3.25 1.26 4.71 o -3 12 5 3.85 -8.62 11.08 o -2 12 5 17.26 20.84 7.87 o -1 12 5 3.38 -11.91 33.06 o 0 12 5 1.60 5.00 6.88 o -4 0 6 343.26 369.97 14.27 o -2 0 6 350.07 380.93 14.80 o 0 0 6 222.40 223.19 11.05 o 2 0 6 271.14 263.90 28.03 o -5 1 6 22.69 20.88 3.86 o -4 1 6 47.53 46.07 3.69 o -3 1 6 195.97 213.04 6.35 o -2 1 6 28.90 28.64 2.23 o -1 1 6 24.82 21.28 2.24 o 0 1 6 285.90 298.00 12.89 o 1 1 6 35.73 44.27 4.80 o 2 1 6 3.44 -2.14 6.59 o -5 2 6 118.09 115.78 8.47 o -4 2 6 70.87 70.63 3.22 o -3 2 6 0.70 0.78 1.61 o -2 2 6 13.82 19.10 2.59 o -1 2 6 104.57 108.65 5.49 o 0 2 6 0.15 1.55 1.42 o 1 2 6 135.63 132.31 6.55 o 2 2 6 39.83 30.79 4.95 o -5 3 6 62.90 50.01 4.81 o -4 3 6 0.32 -0.59 1.55 o -3 3 6 431.01 482.23 12.77 o -2 3 6 60.01 54.30 2.38 o -1 3 6 8.85 7.69 2.41 o 0 3 6 22.45 18.25 3.05 o 1 3 6 300.51 305.70 16.34 o -5 4 6 151.16 147.12 14.37 o -4 4 6 148.30 153.05 7.42 o -3 4 6 0.27 3.15 4.71 o -2 4 6 36.49 37.74 4.17 o -1 4 6 375.03 387.61 12.30 o 0 4 6 65.34 63.33 5.96 o 1 4 6 42.49 45.67 7.67 o -5 5 6 32.07 26.87 5.65 o -4 5 6 72.26 61.47 6.45 o -3 5 6 3.55 1.48 2.46 o -2 5 6 92.61 90.73 5.39 o -1 5 6 63.14 62.11 3.93 o 0 5 6 109.58 109.35 7.65 o 1 5 6 11.13 6.65 4.38 o -5 6 6 2.33 1.91 4.75 o -4 6 6 163.09 151.95 11.32 o -3 6 6 44.52 37.06 5.40 o -2 6 6 125.08 131.62 8.00 o -1 6 6 0.63 2.77 5.07 o 0 6 6 11.59 15.62 2.78 o 1 6 6 2.89 4.17 4.90 o -4 7 6 63.71 93.36 10.06 o -3 7 6 46.37 49.86 5.84 o -2 7 6 214.54 193.43 10.82 o -1 7 6 14.07 14.54 2.81 o 0 7 6 158.83 179.92 10.89 o 1 7 6 137.65 128.68 9.71 o -4 8 6 6.61 5.67 4.72 o -3 8 6 8.50 10.46 5.32 o -2 8 6 58.62 50.73 6.29 o -1 8 6 182.91 182.92 12.00 o 0 8 6 0.97 6.21 13.23 o -3 9 6 119.51 130.03 17.78 o -2 9 6 6.84 9.56 7.22 o -1 9 6 23.53 57.47 27.51 o 0 9 6 0.04 13.35 43.24 o -3 10 6 20.44 -9.84 21.58 o -2 10 6 58.20 41.91 10.12 o -1 10 6 138.02 104.50 22.59 o -3 0 7 45.37 43.25 4.46 o -1 0 7 196.29 204.61 32.93 o -4 1 7 51.53 47.33 4.06 o -3 1 7 141.93 145.96 6.67 o -2 1 7 136.68 139.41 6.29 o -1 1 7 37.77 42.12 4.81 o 0 1 7 47.08 6.95 22.43 o -4 2 7 97.80 95.44 8.29 o -3 2 7 1.21 -0.99 3.45 o -2 2 7 203.58 213.90 8.69 o -1 2 7 131.60 149.46 12.15 o 0 2 7 42.80 49.26 10.36 o -4 3 7 16.39 13.83 7.41 o -3 3 7 19.70 11.85 3.85 o -2 3 7 135.16 147.81 8.23 o -1 3 7 9.78 -1.08 3.69 o -4 4 7 108.94 85.74 8.47 o -3 4 7 11.40 17.88 5.98 o -2 4 7 49.11 50.93 7.36 o -1 4 7 117.25 119.78 7.60 o -3 5 7 273.08 260.93 16.41 o -2 5 7 1.17 -2.94 3.88 o -1 5 7 2.87 6.70 6.94 o -2 6 7 5.51 -5.26 7.85 o