#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/83/2018308.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_2018308_Fobs loop_ _publ_author_name 'Khamar, Dikshitkumar' 'Pritchard, Robin Gavin' 'Bradshaw, Ian James' 'Hutcheon, Gillian Ann' 'Seton, Linda' _publ_section_title ; Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains ; _journal_coeditor_code BM3111 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o496 _journal_page_last o499 _journal_volume 67 _journal_year 2011 _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 13.1580 _cell_length_b 15.6300 _cell_length_c 3.8540 _exptl_crystal_F_000 376.00 _reflns_d_resolution_high 0.8287 _[local]_cod_data_source_file bm3111Isup3.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ?' _shelx_refln_list_code 4 _shelx_f_calc_maximum 114.42 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-x+1/2, y+1/2, z+1/2' 'x+1/2, -y+1/2, z' 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 2002.99 2019.22 169.36 o 4 0 0 1849.44 2112.73 157.33 o 6 0 0 169.57 147.93 8.20 o 8 0 0 5.82 -0.65 3.12 o 10 0 0 53.79 41.66 5.99 o 12 0 0 0.02 -0.41 5.15 o 14 0 0 128.29 173.77 21.60 o 2 1 0 4191.26 3481.12 218.07 o 3 1 0 581.15 540.18 22.85 o 4 1 0 390.11 340.52 15.46 o 5 1 0 0.96 -1.32 1.48 o 6 1 0 381.45 436.89 15.99 o 7 1 0 489.45 539.33 19.87 o 8 1 0 0.36 -3.85 2.57 o 9 1 0 43.27 39.91 2.99 o 10 1 0 105.79 87.92 4.78 o 11 1 0 24.86 11.16 3.71 o 12 1 0 271.31 354.78 13.72 o 13 1 0 49.85 34.80 4.72 o 14 1 0 0.60 2.31 8.11 o 15 1 0 0.06 21.98 14.17 o 2 2 0 102.60 112.29 4.43 o 3 2 0 57.31 23.28 1.67 o 4 2 0 944.77 910.21 38.45 o 5 2 0 260.76 281.81 12.22 o 6 2 0 51.20 36.32 2.20 o 7 2 0 43.60 45.38 2.82 o 8 2 0 14.36 0.41 2.33 o 9 2 0 152.87 157.38 6.62 o 10 2 0 11.07 8.38 3.06 o 11 2 0 104.28 115.99 5.69 o 12 2 0 8.37 4.97 4.55 o 13 2 0 14.90 6.97 4.47 o 14 2 0 56.46 39.91 11.39 o 15 2 0 1.63 0.75 10.13 o 1 3 0 116.47 86.90 3.90 o 2 3 0 28.95 30.43 1.61 o 3 3 0 193.46 153.51 5.64 o 4 3 0 50.44 45.13 2.32 o 5 3 0 51.00 32.69 2.60 o 6 3 0 1045.70 1184.18 40.73 o 7 3 0 269.80 329.19 10.58 o 8 3 0 582.95 640.97 20.28 o 9 3 0 13.93 15.90 2.83 o 10 3 0 39.19 24.61 3.25 o 11 3 0 3.76 1.32 3.38 o 13 3 0 85.54 70.15 5.19 o 14 3 0 19.17 15.40 7.14 o 15 3 0 0.62 0.17 10.09 o 1 4 0 98.05 72.30 3.56 o 2 4 0 576.85 526.30 21.72 o 3 4 0 2.36 -0.65 1.08 o 4 4 0 229.57 201.69 7.24 o 6 4 0 662.87 669.86 23.09 o 7 4 0 4.29 0.25 2.16 o 8 4 0 51.09 56.82 3.43 o 9 4 0 7.57 3.55 2.74 o 10 4 0 99.46 89.29 4.65 o 11 4 0 1.36 -2.48 3.81 o 12 4 0 6.28 -3.98 3.89 o 13 4 0 27.18 27.02 5.01 o 14 4 0 7.00 -3.90 6.80 o 15 4 0 11.24 0.41 8.24 o 1 5 0 89.96 77.34 3.20 o 2 5 0 224.07 170.43 6.66 o 3 5 0 136.18 122.75 4.64 o 4 5 0 10.99 7.07 1.84 o 5 5 0 7.74 3.32 1.82 o 7 5 0 1.13 0.00 0.83 o 8 5 0 125.47 128.04 5.77 o 9 5 0 0.11 0.59 2.74 o 10 5 0 14.40 0.75 3.15 o 11 5 0 13.49 5.30 3.65 o 12 5 0 17.90 14.97 4.15 o 13 5 0 3.61 13.87 5.90 o 14 5 0 0.21 -11.11 7.89 o 15 5 0 17.08 3.98 12.67 o 0 6 0 928.89 800.04 34.50 o 2 6 0 486.04 401.85 15.33 o 3 6 0 2.37 6.04 1.48 o 4 6 0 2.82 1.74 1.66 o 5 6 0 916.39 1029.80 32.72 o 6 6 0 489.77 593.03 19.07 o 7 6 0 0.86 -1.65 2.31 o 8 6 0 38.09 14.76 3.01 o 9 6 0 80.05 62.59 3.89 o 10 6 0 5.57 2.07 3.14 o 11 6 0 8.87 3.06 3.72 o 12 6 0 0.01 -3.55 4.22 o 13 6 0 8.72 8.86 7.37 o 14 6 0 28.91 19.01 8.49 o 15 6 0 7.57 4.97 10.28 o 1 7 0 1103.42 1123.57 34.78 o 2 7 0 214.07 231.96 8.32 o 3 7 0 232.43 247.75 8.59 o 4 7 0 0.12 -1.49 1.73 o 5 7 0 19.69 15.40 2.00 o 6 7 0 64.98 49.65 3.33 o 7 7 0 1.68 -0.33 2.40 o 8 7 0 75.45 57.78 3.88 o 9 7 0 0.39 0.17 2.92 o 10 7 0 19.76 7.21 3.32 o 11 7 0 2.78 -1.91 3.83 o 13 7 0 0.57 -3.80 6.95 o 14 7 0 1.26 -2.81 8.26 o 0 8 0 1099.31 1199.89 66.22 o 1 8 0 46.54 60.44 2.69 o 2 8 0 163.63 168.76 6.15 o 3 8 0 425.73 471.03 17.39 o 4 8 0 129.39 143.97 4.81 o 5 8 0 1.81 0.91 2.25 o 6 8 0 36.83 22.67 2.69 o 7 8 0 0.00 0.00 0.83 o 8 8 0 21.42 9.92 2.81 o 9 8 0 2.41 1.91 3.07 o 10 8 0 0.21 1.32 4.30 o 11 8 0 0.19 -0.49 3.62 o 12 8 0 1.39 1.40 5.71 o 13 8 0 1.88 -1.08 6.88 o 14 8 0 0.02 3.22 8.26 o 1 9 0 78.92 88.10 4.10 o 2 9 0 124.43 119.34 4.97 o 3 9 0 1.84 0.25 1.83 o 4 9 0 9.91 3.38 2.15 o 5 9 0 0.32 -2.48 2.24 o 6 9 0 42.53 36.32 3.18 o 8 9 0 10.35 10.09 3.12 o 9 9 0 22.22 11.59 3.47 o 10 9 0 69.05 29.24 4.53 o 11 9 0 0.93 -0.33 3.72 o 12 9 0 3.85 2.99 4.88 o 13 9 0 0.27 4.97 5.15 o 0 10 0 108.33 103.96 7.43 o 1 10 0 166.53 160.59 6.92 o 2 10 0 15.76 5.39 1.99 o 3 10 0 3.89 1.40 2.15 o 4 10 0 78.05 83.87 4.17 o 5 10 0 298.69 351.02 11.59 o 6 10 0 40.85 30.03 3.19 o 7 10 0 63.10 53.70 3.87 o 8 10 0 185.47 249.77 8.92 o 10 10 0 0.36 0.75 3.90 o 11 10 0 11.02 2.23 6.88 o 12 10 0 1.96 1.15 4.23 o 13 10 0 3.49 -3.72 5.13 o 1 11 0 350.77 420.68 16.06 o 2 11 0 38.64 28.27 2.61 o 3 11 0 16.99 5.56 2.49 o 4 11 0 177.80 202.73 8.30 o 5 11 0 22.55 12.54 2.90 o 6 11 0 43.35 30.23 3.51 o 7 11 0 120.26 155.33 6.36 o 8 11 0 2.23 0.00 0.83 o 9 11 0 4.86 -6.20 4.14 o 10 11 0 73.48 116.38 7.27 o 11 11 0 4.70 -8.85 5.90 o 12 11 0 0.34 -0.75 9.29 o 0 12 0 9.89 5.82 3.34 o 1 12 0 1.61 1.99 2.57 o 2 12 0 86.07 64.91 3.67 o 3 12 0 71.64 63.74 3.93 o 4 12 0 6.18 2.74 2.89 o 5 12 0 305.77 421.80 15.33 o 6 12 0 82.35 96.13 4.82 o 7 12 0 22.61 12.28 3.70 o 8 12 0 16.52 8.38 4.22 o 9 12 0 82.76 92.42 7.70 o 10 12 0 0.10 1.57 6.13 o 11 12 0 0.45 3.90 6.15 o 12 12 0 0.73 3.22 6.21 o 1 13 0 3.04 -0.75 3.15 o 2 13 0 6.31 2.23 2.72 o 3 13 0 143.98 158.75 7.11 o 4 13 0 122.76 157.38 6.40 o 5 13 0 17.15 13.72 3.91 o 6 13 0 1.46 -0.33 3.80 o 7 13 0 3.57 -5.22 4.08 o 8 13 0 5.76 2.23 5.30 o 9 13 0 1.21 -5.22 6.78 o 10 13 0 0.15 1.15 8.51 o 11 13 0 0.91 -7.96 6.78 o 0 14 0 4.99 8.70 5.53 o 1 14 0 0.14 0.49 3.05 o 2 14 0 108.31 95.60 5.34 o 3 14 0 1.17 -0.59 3.50 o 4 14 0 25.65 14.00 3.54 o 5 14 0 3.61 0.08 3.61 o 6 14 0 14.74 8.22 4.13 o 7 14 0 3.83 9.92 5.22 o 8 14 0 0.16 5.64 6.32 o 9 14 0 2.60 5.56 9.06 o 10 14 0 0.41 -3.06 7.96 o 1 15 0 85.65 87.58 6.13 o 2 15 0 24.30 11.40 3.56 o 3 15 0 28.80 23.98 3.65 o 4 15 0 0.06 7.87 4.24 o 5 15 0 0.36 5.82 4.96 o 6 15 0 11.36 10.27 6.18 o 7 15 0 0.11 0.75 6.47 o 8 15 0 0.00 6.04 6.94 o 0 16 0 1.24 3.22 6.21 o 1 16 0 7.79 8.12 4.62 o 2 16 0 0.03 1.74 4.73 o 3 16 0 5.27 0.75 5.48 o 4 16 0 4.10 3.15 5.30 o 5 16 0 7.63 5.87 5.87 o 6 16 0 0.17 2.65 6.23 o 7 16 0 0.00 6.97 6.97 o 1 17 0 0.49 -0.75 5.74 o 2 17 0 5.02 0.83 5.80 o 3 17 0 0.61 -3.06 5.95 o 4 17 0 1.85 -2.40 5.80 o 5 17 0 0.23 1.32 5.70 o 0 18 0 0.08 2.15 8.44 o 1 18 0 0.61 1.74 5.89 o 2 18 0 3.45 3.15 8.69 o 3 18 0 1.53 -5.22 8.86 o 2 0 1 9168.22 9814.12 312.05 o 4 0 1 348.38 370.03 14.71 o 6 0 1 142.64 137.06 5.97 o 8 0 1 341.20 422.18 13.84 o 10 0 1 22.51 7.11 3.16 o 12 0 1 62.23 74.95 6.31 o 14 0 1 70.59 81.23 7.38 o 1 1 1 93.62 77.38 4.86 o 2 1 1 13091.27 14392.39 362.11 o 3 1 1 280.45 282.00 7.40 o 4 1 1 805.16 840.47 21.64 o 5 1 1 469.29 502.52 11.82 o 6 1 1 180.10 187.39 5.78 o 7 1 1 29.16 27.18 1.87 o 8 1 1 49.93 43.81 2.17 o 9 1 1 53.30 31.91 2.39 o 10 1 1 109.90 109.15 9.35 o 11 1 1 38.89 31.38 3.57 o 12 1 1 50.81 35.95 5.68 o 13 1 1 11.80 11.64 3.71 o 14 1 1 10.10 3.45 5.33 o 15 1 1 1.20 11.75 8.89 o 1 2 1 676.47 585.50 14.32 o 2 2 1 533.63 473.11 19.87 o 3 2 1 34.18 21.30 1.04 o 4 2 1 143.83 128.67 3.85 o 5 2 1 378.01 407.50 10.31 o 6 2 1 122.58 124.22 3.51 o 7 2 1 139.80 144.51 3.72 o 8 2 1 3.64 2.27 1.87 o 9 2 1 51.67 60.87 3.91 o 10 2 1 268.26 344.07 9.79 o 11 2 1 85.53 84.64 5.35 o 12 2 1 40.31 28.58 3.23 o 13 2 1 24.63 16.71 3.48 o 14 2 1 55.43 47.23 4.19 o 15 2 1 19.74 14.40 7.30 o 0 3 1 600.94 557.66 18.92 o 1 3 1 346.13 267.70 6.37 o 2 3 1 114.73 85.56 2.28 o 3 3 1 18.91 14.06 3.65 o 4 3 1 239.90 265.40 5.74 o 5 3 1 107.85 114.84 4.07 o 6 3 1 293.35 312.90 9.56 o 7 3 1 48.52 40.81 1.93 o 8 3 1 234.03 267.74 6.40 o 9 3 1 20.04 10.05 2.20 o 10 3 1 25.42 15.05 2.47 o 11 3 1 77.49 82.66 3.56 o 12 3 1 2.50 3.60 2.93 o 13 3 1 4.44 2.02 3.72 o 14 3 1 12.49 4.64 3.86 o 15 3 1 2.35 2.90 12.27 o 1 4 1 150.53 85.12 3.69 o 2 4 1 148.32 116.60 5.09 o 3 4 1 177.14 194.36 5.34 o 4 4 1 797.16 870.80 20.88 o 5 4 1 70.45 50.89 1.94 o 6 4 1 152.09 152.91 6.22 o 7 4 1 62.11 45.85 2.13 o 8 4 1 273.40 330.26 10.26 o 9 4 1 5.21 0.85 2.09 o 10 4 1 177.10 236.01 6.60 o 11 4 1 41.74 32.45 2.95 o 12 4 1 24.77 27.80 3.27 o 13 4 1 12.58 3.05 3.59 o 14 4 1 5.58 0.99 3.49 o 15 4 1 5.67 -0.04 6.31 o 0 5 1 20.32 13.53 1.28 o 1 5 1 201.69 191.48 4.63 o 2 5 1 598.82 611.24 23.73 o 3 5 1 1161.68 1204.06 31.30 o 4 5 1 307.43 324.86 7.71 o 5 5 1 21.05 14.21 1.38 o 6 5 1 132.03 122.56 3.42 o 7 5 1 233.11 278.35 6.66 o 8 5 1 160.34 171.97 6.91 o 9 5 1 2.84 2.20 1.96 o 10 5 1 29.58 25.32 2.49 o 11 5 1 16.90 7.86 2.75 o 12 5 1 32.88 36.03 3.98 o 13 5 1 19.19 24.90 3.71 o 14 5 1 3.37 5.55 6.97 o 1 6 1 313.57 286.71 6.71 o 2 6 1 144.11 181.83 6.71 o 3 6 1 120.16 104.70 3.34 o 4 6 1 194.82 201.45 4.93 o 5 6 1 2.76 0.94 1.39 o 6 6 1 6.71 2.84 1.48 o 7 6 1 13.01 5.91 1.73 o 8 6 1 32.87 18.57 1.93 o 9 6 1 8.07 0.14 2.08 o 10 6 1 69.76 74.38 3.75 o 11 6 1 18.25 9.24 2.81 o 12 6 1 9.43 8.73 3.58 o 13 6 1 17.61 11.00 4.06 o 14 6 1 16.13 18.95 7.00 o 0 7 1 688.71 714.90 27.26 o 1 7 1 199.89 181.13 4.40 o 2 7 1 13.09 8.26 2.12 o 3 7 1 183.53 153.92 4.01 o 4 7 1 338.49 373.59 7.70 o 5 7 1 12.67 8.96 1.56 o 6 7 1 43.98 32.10 3.84 o 7 7 1 64.10 38.91 3.33 o 8 7 1 32.31 33.18 2.97 o 9 7 1 0.12 -1.21 2.10 o 10 7 1 40.99 26.66 2.52 o 11 7 1 8.42 14.19 3.00 o 12 7 1 1.19 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3.92 o 11 10 1 22.18 13.85 3.44 o 12 10 1 20.84 10.68 5.71 o 13 10 1 1.52 1.00 13.73 o 0 11 1 23.87 16.34 2.87 o 1 11 1 90.27 91.56 5.13 o 2 11 1 53.48 50.27 2.14 o 3 11 1 207.02 228.86 6.06 o 4 11 1 35.96 30.01 2.01 o 5 11 1 11.29 4.84 2.02 o 6 11 1 24.03 13.07 2.30 o 8 11 1 79.53 107.81 3.98 o 9 11 1 29.96 22.99 3.41 o 10 11 1 12.83 4.63 3.58 o 11 11 1 64.33 61.13 10.52 o 12 11 1 5.67 4.06 5.47 o 1 12 1 4.35 2.08 1.76 o 2 12 1 67.96 65.08 2.74 o 3 12 1 97.93 98.55 8.25 o 4 12 1 92.75 102.81 6.08 o 5 12 1 73.35 71.14 2.93 o 6 12 1 37.46 37.45 2.71 o 7 12 1 12.30 5.84 2.67 o 8 12 1 5.43 3.97 3.27 o 9 12 1 17.15 20.17 3.56 o 10 12 1 3.63 11.21 9.57 o 11 12 1 2.07 -0.15 4.74 o 0 13 1 193.87 224.81 7.64 o 1 13 1 26.56 23.41 2.34 o 2 13 1 40.77 35.32 3.10 o 3 13 1 34.85 28.28 2.32 o 4 13 1 0.63 1.51 2.31 o 5 13 1 10.68 5.43 2.40 o 6 13 1 21.11 17.11 2.86 o 7 13 1 21.65 16.38 3.19 o 8 13 1 4.51 0.67 3.35 o 9 13 1 0.18 -1.58 3.92 o 10 13 1 2.87 3.36 4.53 o 1 14 1 86.29 111.30 5.90 o 2 14 1 12.75 0.37 2.41 o 3 14 1 33.49 29.86 2.53 o 4 14 1 48.53 54.35 3.12 o 5 14 1 15.33 7.16 3.01 o 6 14 1 6.38 2.18 2.93 o 7 14 1 2.63 2.55 3.05 o 8 14 1 2.07 -0.07 4.39 o 9 14 1 0.28 1.26 4.54 o 10 14 1 0.26 0.64 4.98 o 0 15 1 34.90 34.37 4.27 o 1 15 1 2.98 1.40 2.80 o 2 15 1 7.33 6.67 3.94 o 3 15 1 14.88 10.19 2.88 o 4 15 1 2.19 -1.25 2.80 o 5 15 1 3.80 4.52 2.92 o 6 15 1 3.32 2.47 3.94 o 7 15 1 5.65 1.74 4.27 o 8 15 1 3.47 3.41 5.77 o 9 15 1 0.73 10.80 11.13 o 1 16 1 6.73 2.27 3.02 o 2 16 1 3.05 0.56 2.99 o 3 16 1 2.67 4.10 3.31 o 4 16 1 10.47 4.24 3.83 o 5 16 1 1.18 0.26 3.71 o 6 16 1 0.07 -0.38 3.71 o 7 16 1 0.22 -8.44 7.28 o 0 17 1 3.91 -0.59 5.65 o 1 17 1 3.80 4.11 3.93 o 2 17 1 1.21 -1.35 4.03 o 3 17 1 2.91 0.53 4.92 o 4 17 1 1.94 0.75 3.51 o 5 17 1 1.41 0.47 3.42 o 1 18 1 2.04 7.91 5.06 o 2 18 1 1.26 2.40 7.77 o 2 0 2 316.24 380.26 13.14 o 6 0 2 355.54 366.88 12.21 o 8 0 2 67.26 42.85 3.70 o 10 0 2 82.70 101.56 6.06 o 12 0 2 22.75 22.41 4.82 o 14 0 2 14.50 8.01 14.74 o 1 1 2 22.89 13.59 1.88 o 2 1 2 293.43 268.20 17.49 o 3 1 2 145.34 116.36 11.24 o 4 1 2 1510.39 1769.69 152.66 o 5 1 2 94.18 95.33 3.39 o 6 1 2 63.03 65.50 2.81 o 7 1 2 15.68 11.26 1.78 o 8 1 2 36.39 35.45 3.08 o 9 1 2 17.58 15.00 2.11 o 10 1 2 29.09 30.86 2.76 o 11 1 2 3.30 3.85 3.23 o 12 1 2 3.54 2.34 3.16 o 13 1 2 5.90 9.03 3.32 o 14 1 2 9.50 -2.99 6.43 o 0 2 2 59.20 30.43 3.12 o 1 2 2 35.07 15.71 7.14 o 2 2 2 65.85 56.17 7.54 o 3 2 2 891.98 904.49 23.46 o 4 2 2 260.60 282.48 17.57 o 5 2 2 6.42 5.62 1.86 o 6 2 2 17.37 8.63 1.49 o 7 2 2 10.43 9.96 1.74 o 8 2 2 254.84 349.93 9.27 o 9 2 2 83.95 95.21 7.23 o 10 2 2 6.75 2.50 2.25 o 11 2 2 0.88 3.29 2.78 o 12 2 2 0.89 1.81 2.92 o 13 2 2 12.91 11.65 7.91 o 14 2 2 0.88 -5.08 8.02 o 1 3 2 37.95 31.54 1.53 o 2 3 2 106.99 103.90 3.16 o 3 3 2 78.27 69.87 2.27 o 4 3 2 75.43 50.35 5.18 o 5 3 2 49.44 50.12 1.89 o 6 3 2 125.06 158.41 4.13 o 7 3 2 20.17 18.67 1.83 o 8 3 2 87.52 84.53 4.83 o 9 3 2 93.88 98.05 3.63 o 10 3 2 112.82 134.83 6.75 o 11 3 2 16.64 14.06 2.80 o 12 3 2 25.40 23.78 4.00 o 13 3 2 5.96 6.97 3.27 o 14 3 2 2.05 -3.15 12.28 o 0 4 2 107.46 94.89 3.55 o 1 4 2 236.93 221.59 9.94 o 2 4 2 51.55 57.59 2.20 o 3 4 2 55.59 44.78 5.46 o 4 4 2 288.06 348.15 10.89 o 5 4 2 23.50 14.31 3.74 o 6 4 2 12.47 4.04 2.16 o 7 4 2 6.80 3.81 1.72 o 8 4 2 78.87 72.88 3.40 o 9 4 2 69.15 89.99 3.29 o 10 4 2 51.17 49.27 4.14 o 11 4 2 12.63 8.95 2.80 o 12 4 2 3.52 0.86 3.05 o 13 4 2 4.18 2.81 2.97 o 1 5 2 128.25 90.94 3.05 o 2 5 2 243.14 221.77 7.07 o 3 5 2 28.84 26.23 1.45 o 4 5 2 83.71 73.64 2.36 o 5 5 2 17.34 9.09 1.49 o 6 5 2 22.83 12.98 1.82 o 7 5 2 4.38 5.55 2.35 o 8 5 2 4.64 2.83 1.91 o 9 5 2 87.70 98.47 4.15 o 10 5 2 21.92 11.79 5.60 o 11 5 2 22.49 28.23 3.40 o 12 5 2 3.72 -1.29 3.43 o 13 5 2 0.07 -4.21 2.81 o 0 6 2 37.13 22.93 1.66 o 1 6 2 174.24 167.20 4.13 o 2 6 2 201.87 209.76 4.28 o 3 6 2 9.53 6.19 1.22 o 4 6 2 61.54 70.61 4.08 o 5 6 2 76.79 66.16 2.14 o 6 6 2 11.07 9.09 2.16 o 7 6 2 0.22 -1.04 1.72 o 8 6 2 57.21 71.90 2.89 o 9 6 2 3.11 0.14 2.28 o 10 6 2 35.25 55.26 3.35 o 11 6 2 4.19 1.32 2.77 o 12 6 2 0.89 0.57 2.84 o 13 6 2 2.37 2.65 4.15 o 1 7 2 45.28 37.77 1.85 o 2 7 2 43.26 45.61 1.86 o 3 7 2 130.61 136.77 3.21 o 4 7 2 67.77 63.43 2.14 o 5 7 2 22.82 14.63 1.62 o 6 7 2 11.68 10.54 1.91 o 7 7 2 1.78 -0.29 1.87 o 8 7 2 55.35 53.92 4.14 o 9 7 2 2.31 1.49 2.50 o 10 7 2 1.09 0.92 3.07 o 11 7 2 7.84 8.88 3.98 o 12 7 2 4.67 2.89 3.18 o 13 7 2 1.63 5.06 8.72 o 0 8 2 81.18 74.95 3.31 o 1 8 2 31.64 26.28 1.51 o 2 8 2 43.03 32.29 1.61 o 3 8 2 1.88 3.08 1.45 o 4 8 2 43.90 50.37 2.10 o 5 8 2 59.74 61.66 2.42 o 6 8 2 61.89 44.08 2.29 o 7 8 2 23.91 15.83 2.09 o 8 8 2 29.16 20.69 2.62 o 9 8 2 4.72 7.51 2.51 o 10 8 2 0.21 -1.32 2.78 o 11 8 2 1.87 3.93 3.08 o 12 8 2 3.31 0.56 4.13 o 1 9 2 10.23 9.01 1.48 o 2 9 2 1.53 1.91 1.43 o 3 9 2 101.53 100.91 3.30 o 4 9 2 213.33 289.19 6.35 o 5 9 2 30.02 28.64 2.06 o 6 9 2 1.55 -0.11 2.11 o 7 9 2 6.17 6.41 2.04 o 8 9 2 0.66 -0.41 2.41 o 9 9 2 11.45 11.57 2.77 o 10 9 2 0.35 0.92 2.83 o 11 9 2 4.66 4.29 3.31 o 12 9 2 1.48 0.94 4.45 o 0 10 2 31.46 29.74 2.48 o 1 10 2 22.98 13.52 1.63 o 2 10 2 19.69 13.37 1.66 o 3 10 2 95.40 103.62 3.70 o 4 10 2 12.78 6.05 1.76 o 5 10 2 123.38 164.96 8.56 o 6 10 2 63.22 75.73 4.23 o 7 10 2 11.10 7.27 2.37 o 8 10 2 15.01 9.74 3.72 o 9 10 2 28.45 33.15 3.13 o 10 10 2 10.66 6.54 2.94 o 11 10 2 7.66 3.63 4.00 o 1 11 2 36.70 26.84 2.00 o 2 11 2 15.10 10.31 4.10 o 3 11 2 20.42 21.03 2.23 o 4 11 2 14.93 10.92 2.25 o 5 11 2 62.36 62.91 4.38 o 6 11 2 48.75 53.07 2.85 o 7 11 2 29.41 30.25 3.03 o 8 11 2 16.44 14.84 2.82 o 9 11 2 4.65 1.37 4.63 o 10 11 2 11.50 9.16 2.95 o 0 12 2 90.57 123.35 5.25 o 1 12 2 54.14 73.73 3.31 o 2 12 2 6.13 3.20 2.02 o 3 12 2 15.59 8.71 2.05 o 4 12 2 2.12 2.13 1.95 o 5 12 2 36.29 31.63 2.64 o 6 12 2 2.96 0.90 3.11 o 7 12 2 2.20 3.25 2.84 o 8 12 2 8.15 8.87 3.21 o 9 12 2 25.42 28.89 3.42 o 10 12 2 3.69 -0.05 3.97 o 1 13 2 61.30 97.74 4.71 o 2 13 2 85.28 115.63 4.12 o 3 13 2 3.16 1.94 2.49 o 4 13 2 5.34 5.23 2.46 o 5 13 2 1.14 0.16 2.53 o 6 13 2 10.93 16.34 3.49 o 7 13 2 7.57 5.60 3.01 o 8 13 2 7.85 5.04 3.24 o 9 13 2 2.41 3.04 4.16 o 0 14 2 53.70 59.03 4.33 o 1 14 2 6.81 4.93 2.51 o 2 14 2 13.77 11.35 2.75 o 3 14 2 4.16 1.19 2.83 o 4 14 2 0.21 0.94 2.62 o 5 14 2 11.07 8.75 3.79 o 6 14 2 4.15 -1.59 2.95 o 7 14 2 3.81 0.51 3.86 o 8 14 2 0.50 -3.94 4.73 o 1 15 2 10.32 15.62 2.74 o 2 15 2 3.96 3.76 2.79 o 3 15 2 5.70 1.52 3.73 o 4 15 2 0.76 -1.70 3.10 o 5 15 2 5.15 3.79 3.30 o 6 15 2 6.18 3.19 3.60 o 0 16 2 1.90 3.32 3.98 o 1 16 2 4.04 -0.92 3.78 o 2 16 2 2.01 2.08 3.22 o 3 16 2 2.86 -2.20 4.76 o 4 16 2 3.22 3.22 6.43 o 4 0 3 209.39 241.49 12.73 o 8 0 3 62.09 64.03 4.37 o 10 0 3 3.61 1.00 3.34 o 12 0 3 2.88 6.13 5.95 o 3 1 3 17.27 7.20 3.41 o 4 1 3 8.33 3.75 1.10 o 5 1 3 36.34 21.45 10.43 o 6 1 3 220.46 286.44 11.62 o 7 1 3 40.33 42.43 2.18 o 8 1 3 12.60 16.40 2.07 o 9 1 3 1.43 -3.02 2.02 o 10 1 3 8.18 10.21 2.68 o 11 1 3 3.78 -4.07 4.33 o 12 1 3 6.76 5.64 5.49 o 2 2 3 13.42 5.64 1.99 o 3 2 3 16.74 13.17 1.70 o 4 2 3 18.35 11.44 1.13 o 5 2 3 83.46 61.87 37.82 o 6 2 3 94.45 107.42 4.89 o 7 2 3 10.65 7.89 1.82 o 8 2 3 19.22 14.17 1.98 o 9 2 3 2.29 -0.26 0.80 o 10 2 3 2.45 1.32 2.39 o 11 2 3 4.50 -1.29 4.14 o 1 3 3 59.82 61.73 4.00 o 2 3 3 34.25 22.84 3.31 o 3 3 3 1.95 0.34 1.29 o 4 3 3 13.01 4.49 3.47 o 5 3 3 17.95 15.25 1.49 o 6 3 3 88.41 95.02 4.53 o 7 3 3 103.14 133.73 4.50 o 8 3 3 12.59 13.29 2.40 o 9 3 3 12.58 18.54 2.29 o 10 3 3 14.58 9.07 5.84 o 11 3 3 7.33 5.56 4.31 o 1 4 3 26.62 25.04 2.79 o 2 4 3 29.24 15.79 4.73 o 3 4 3 12.12 4.63 3.64 o 4 4 3 40.31 32.39 1.99 o 5 4 3 14.05 10.13 1.99 o 6 4 3 40.36 46.94 5.58 o 7 4 3 65.60 78.01 3.07 o 8 4 3 12.88 14.45 2.41 o 9 4 3 17.00 21.39 2.49 o 10 4 3 0.79 0.41 3.57 o 11 4 3 3.03 2.12 4.67 o 1 5 3 22.43 15.44 6.40 o 2 5 3 21.69 12.29 1.24 o 3 5 3 18.04 13.46 1.12 o 4 5 3 2.34 0.79 1.36 o 5 5 3 0.52 -0.81 1.31 o 6 5 3 6.24 6.03 1.67 o 7 5 3 15.51 15.52 2.25 o 8 5 3 4.44 7.55 2.01 o 9 5 3 4.89 3.38 2.82 o 10 5 3 0.88 -0.39 4.52 o 11 5 3 3.33 7.77 7.45 o 1 6 3 28.22 22.72 1.41 o 2 6 3 14.27 8.47 1.26 o 3 6 3 8.36 4.69 2.03 o 4 6 3 4.75 2.10 1.57 o 5 6 3 13.05 10.74 1.68 o 6 6 3 14.79 11.93 1.79 o 7 6 3 11.20 11.85 1.96 o 8 6 3 1.48 3.12 2.21 o 9 6 3 6.78 4.93 2.84 o 10 6 3 0.20 -1.27 3.73 o 0 7 3 69.28 71.99 4.33 o 1 7 3 13.61 11.94 1.29 o 2 7 3 32.12 37.03 4.55 o 3 7 3 21.88 17.30 1.65 o 4 7 3 12.56 14.46 2.62 o 5 7 3 14.24 11.77 1.71 o 6 7 3 49.13 61.18 2.60 o 7 7 3 10.87 14.88 3.35 o 8 7 3 0.25 3.61 2.18 o 9 7 3 1.77 1.34 3.55 o 10 7 3 3.53 0.87 4.39 o 1 8 3 18.36 14.35 1.46 o 2 8 3 23.19 18.54 1.60 o 3 8 3 15.51 18.03 1.76 o 4 8 3 7.42 0.17 1.64 o 5 8 3 0.62 0.26 1.79 o 6 8 3 18.49 15.25 2.12 o 7 8 3 4.60 6.32 2.17 o 8 8 3 10.17 7.56 3.00 o 9 8 3 2.96 5.01 4.18 o 0 9 3 0.36 -0.91 2.15 o 1 9 3 20.14 23.47 2.11 o 2 9 3 35.34 39.23 5.01 o 3 9 3 21.90 19.01 2.13 o 4 9 3 21.89 23.42 4.14 o 5 9 3 4.03 3.60 1.82 o 6 9 3 8.96 4.23 2.41 o 7 9 3 5.44 8.69 2.65 o 8 9 3 9.28 3.35 7.16 o 9 9 3 4.50 0.51 3.64 o 1 10 3 32.42 35.44 3.23 o 2 10 3 27.83 41.01 2.32 o 3 10 3 35.28 41.36 8.01 o 4 10 3 13.27 13.65 2.59 o 5 10 3 12.13 16.97 2.24 o 6 10 3 8.34 4.28 2.99 o 7 10 3 1.48 1.91 4.74 o 8 10 3 0.14 -2.14 5.31 o 0 11 3 18.48 17.54 2.82 o 1 11 3 7.24 5.47 1.97 o 2 11 3 3.06 2.89 1.99 o 3 11 3 24.19 20.69 3.56 o 4 11 3 12.01 17.41 2.24 o 5 11 3 6.60 3.78 2.72 o 1 12 3 22.81 34.10 2.52 o 2 12 3 5.15 2.38 2.48 o 3 12 3 18.83 12.36 3.03 o 4 12 3 14.73 11.27 8.66 o 5 12 3 1.80 -2.15 8.51 o 6 12 3 2.22 5.95 8.26 o 0 13 3 35.13 31.45 4.80 o 1 13 3 5.38 3.61 2.67 o 2 13 3 7.71 3.20 2.73 o 3 13 3 3.77 6.63 4.86 o 4 13 3 7.43 7.47 6.07 o 5 13 3 0.04 -0.01 6.27 o 1 14 3 4.34 2.36 2.78 o 2 14 3 8.24 5.77 3.22 o 8 0 4 27.71 38.21 3.37 o 6 1 4 13.48 5.82 3.17 o 7 1 4 4.95 3.71 3.14 o 8 1 4 31.23 34.26 3.09 o 6 2 4 13.48 6.22 3.50 o 7 2 4 28.40 23.45 5.55 o 6 3 4 0.45 -1.23 3.72 o 7 3 4 0.40 -2.73 3.02 o 5 4 4 35.64 44.53 4.86 o 6 4 4 1.56 3.98 3.56 o 7 4 4 12.36 3.06 3.88 o