#------------------------------------------------------------------------------ #$Date: 2011-11-08 16:24:06 +0200 (Tue, 08 Nov 2011) $ #$Revision: 29951 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/82/2018242.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_2018242_Fobs loop_ _publ_author_name 'Sridhar, Balasubramanian' _publ_section_title ; Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine--inorganic acid complexes ; _journal_coeditor_code DN3164 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o382 _journal_page_last o386 _journal_volume 67 _journal_year 2011 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 103.510 _cell_angle_gamma 90.000 _cell_length_a 5.1830 _cell_length_b 24.8050 _cell_length_c 7.7010 _exptl_crystal_F_000 552.00 _reflns_d_resolution_high 0.7964 _[local]_cod_data_source_file dn3164IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' ah42 P21' _shelx_refln_list_code 4 _shelx_f_calc_maximum 175.55 _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+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 0 -30 0 17.93 17.25 1.77 o 1 -30 0 5.84 3.98 1.11 o 1 -29 0 45.37 45.11 1.88 o 2 -29 0 21.61 21.89 1.99 o 0 -28 0 43.69 42.90 2.43 o 1 -28 0 23.22 24.55 1.32 o 2 -28 0 49.66 52.22 2.76 o 1 -27 0 75.66 74.08 1.87 o 2 -27 0 65.70 60.52 2.11 o 3 -27 0 26.57 27.59 1.48 o 0 -26 0 53.11 54.40 2.65 o 1 -26 0 99.48 98.04 2.31 o 2 -26 0 123.02 127.98 3.36 o 3 -26 0 41.37 36.70 1.64 o 1 -25 0 314.84 308.91 5.23 o 2 -25 0 28.66 30.98 1.48 o 3 -25 0 11.99 16.61 1.16 o 0 -24 0 714.64 724.02 13.28 o 1 -24 0 66.90 70.22 1.74 o 2 -24 0 67.05 75.43 3.21 o 3 -24 0 86.34 88.58 2.66 o 4 -24 0 2.57 2.43 0.69 o 1 -23 0 244.88 222.83 3.66 o 2 -23 0 259.70 250.83 8.62 o 3 -23 0 10.10 9.91 1.33 o 4 -23 0 93.33 94.49 5.64 o 0 -22 0 1921.67 1923.81 33.67 o 1 -22 0 196.42 187.20 2.90 o 2 -22 0 662.31 692.84 14.82 o 3 -22 0 33.41 29.30 1.41 o 4 -22 0 20.76 17.42 1.16 o 1 -21 0 83.81 79.99 1.54 o 2 -21 0 266.73 268.20 5.62 o 3 -21 0 30.84 27.20 1.33 o 4 -21 0 44.50 50.01 1.95 o 0 -20 0 522.91 497.22 12.05 o 1 -20 0 75.17 72.74 1.43 o 2 -20 0 3.50 4.17 0.63 o 3 -20 0 63.04 58.86 2.03 o 4 -20 0 40.36 41.49 1.79 o 1 -19 0 536.96 513.73 11.95 o 2 -19 0 269.57 259.11 4.38 o 3 -19 0 91.10 85.81 2.50 o 4 -19 0 50.81 50.16 1.88 o 5 -19 0 61.19 66.82 2.42 o 0 -18 0 778.74 828.15 15.00 o 1 -18 0 217.93 237.85 3.42 o 2 -18 0 402.58 409.09 10.37 o 3 -18 0 65.61 67.98 3.43 o 4 -18 0 57.82 57.31 2.76 o 5 -18 0 7.80 8.50 1.22 o 1 -17 0 181.31 175.97 2.60 o 2 -17 0 363.14 360.43 7.46 o 3 -17 0 410.91 400.01 8.05 o 4 -17 0 1.30 0.85 0.53 o 5 -17 0 87.62 75.57 3.32 o 0 -16 0 250.71 255.43 5.00 o 1 -16 0 101.51 85.77 1.99 o 2 -16 0 184.97 171.11 3.01 o 3 -16 0 635.00 646.66 12.43 o 4 -16 0 38.56 31.70 1.48 o 5 -16 0 47.99 48.22 1.88 o 1 -15 0 2103.10 2106.44 25.88 o 2 -15 0 644.59 674.23 12.35 o 3 -15 0 361.54 364.03 7.34 o 4 -15 0 20.35 19.24 1.16 o 5 -15 0 21.31 18.18 1.25 o 0 -14 0 549.18 419.95 7.89 o 1 -14 0 1082.34 1145.91 12.71 o 2 -14 0 490.25 517.19 7.79 o 3 -14 0 21.30 20.56 1.44 o 4 -14 0 703.53 692.59 13.04 o 5 -14 0 23.49 22.90 1.25 o 1 -13 0 154.57 165.74 2.13 o 2 -13 0 142.33 147.96 2.49 o 3 -13 0 128.64 126.60 2.42 o 4 -13 0 208.25 196.13 6.41 o 5 -13 0 50.15 51.08 2.32 o 0 -12 0 2857.88 2688.87 46.25 o 1 -12 0 460.35 520.50 5.93 o 2 -12 0 142.45 134.88 2.01 o 3 -12 0 187.60 177.95 3.19 o 4 -12 0 77.55 69.33 2.19 o 5 -12 0 17.98 16.66 1.88 o 1 -11 0 2657.35 2715.28 29.53 o 2 -11 0 677.53 686.81 8.76 o 3 -11 0 101.99 115.58 2.21 o 4 -11 0 510.34 511.75 8.79 o 5 -11 0 29.31 25.43 1.99 o 0 -10 0 534.98 409.91 8.51 o 1 -10 0 65.62 71.01 1.00 o 2 -10 0 77.40 74.83 1.53 o 3 -10 0 838.46 848.15 12.68 o 4 -10 0 212.58 228.00 3.91 o 5 -10 0 13.80 13.66 1.01 o 1 -9 0 414.21 406.20 5.25 o 2 -9 0 36.85 32.26 1.01 o 3 -9 0 170.21 187.48 2.68 o 4 -9 0 4.98 6.25 0.74 o 5 -9 0 17.86 14.81 2.21 o 6 -9 0 38.28 37.15 2.43 o 0 -8 0 2433.50 2375.30 40.47 o 1 -8 0 194.86 215.70 2.90 o 2 -8 0 520.69 499.68 6.41 o 3 -8 0 32.54 32.17 0.93 o 4 -8 0 345.01 321.45 5.31 o 5 -8 0 28.36 26.25 1.32 o 6 -8 0 14.79 15.19 1.25 o 1 -7 0 1237.52 1300.40 16.19 o 2 -7 0 57.25 59.70 1.05 o 3 -7 0 245.95 248.56 3.48 o 4 -7 0 39.31 37.74 1.86 o 5 -7 0 22.46 22.00 1.25 o 6 -7 0 71.30 76.89 3.32 o 0 -6 0 866.59 933.51 16.10 o 1 -6 0 677.08 682.83 8.48 o 2 -6 0 1738.10 1808.09 24.26 o 3 -6 0 107.52 114.75 2.17 o 4 -6 0 127.93 126.81 2.53 o 5 -6 0 223.78 225.39 4.92 o 6 -6 0 41.15 40.79 1.79 o 1 -5 0 4748.40 4798.68 60.80 o 2 -5 0 57.11 66.94 1.28 o 3 -5 0 259.60 265.33 3.22 o 4 -5 0 310.64 311.61 5.10 o 5 -5 0 127.85 124.09 3.20 o 6 -5 0 20.75 23.13 1.41 o 0 -4 0 20.00 19.38 0.77 o 1 -4 0 1883.68 2006.45 34.15 o 2 -4 0 1.11 0.26 0.14 o 3 -4 0 172.57 187.06 2.70 o 4 -4 0 131.40 145.60 2.72 o 5 -4 0 321.29 334.20 13.49 o 6 -4 0 8.50 6.28 0.85 o 1 -3 0 7249.01 7175.13 133.63 o 2 -3 0 868.50 931.72 11.57 o 3 -3 0 1543.16 1632.78 20.31 o 4 -3 0 2.82 2.26 0.67 o 5 -3 0 106.68 110.38 2.89 o 6 -3 0 28.81 30.74 1.56 o 0 -2 0 648.62 521.19 12.60 o 1 -2 0 2764.83 2888.22 35.39 o 2 -2 0 326.74 274.43 3.54 o 3 -2 0 160.15 136.80 2.26 o 4 -2 0 188.55 199.16 3.73 o 5 -2 0 165.32 171.03 4.06 o 6 -2 0 24.91 27.72 1.48 o 1 -1 0 1642.08 1818.35 24.13 o 2 -1 0 834.31 857.32 10.70 o 3 -1 0 343.29 358.22 4.72 o 4 -1 0 1135.52 1233.26 17.91 o 5 -1 0 117.79 128.28 3.27 o 6 -1 0 6.88 6.59 0.88 o 1 0 0 2684.94 2667.17 49.50 o 2 0 0 3800.63 3846.36 59.85 o 3 0 0 875.98 810.32 10.14 o 4 0 0 2.44 2.72 0.55 o 5 0 0 29.61 30.52 1.41 o 6 0 0 95.80 95.53 3.98 o 1 1 0 1642.71 1809.67 38.81 o 2 1 0 830.02 879.09 10.74 o 3 1 0 341.52 357.25 4.69 o 4 1 0 1136.37 1222.30 21.81 o 5 1 0 116.41 128.51 3.28 o 6 1 0 6.59 5.26 0.85 o 0 2 0 640.90 499.97 12.38 o 1 2 0 2758.18 2942.58 35.45 o 2 2 0 326.54 270.40 3.54 o 3 2 0 151.47 124.83 1.93 o 4 2 0 186.73 196.49 4.30 o 5 2 0 166.73 173.15 4.14 o 6 2 0 23.58 24.99 1.66 o 1 3 0 7244.67 7077.49 98.97 o 2 3 0 867.25 944.53 11.58 o 3 3 0 1554.97 1670.51 20.33 o 4 3 0 2.73 1.80 0.53 o 5 3 0 104.99 105.64 4.20 o 6 3 0 29.81 30.09 2.65 o 0 4 0 16.83 18.35 0.66 o 1 4 0 1880.06 2031.82 24.31 o 2 4 0 0.79 1.36 0.37 o 3 4 0 174.41 194.26 2.67 o 4 4 0 128.12 144.93 3.36 o 5 4 0 324.26 346.81 7.11 o 6 4 0 8.16 6.40 1.11 o 1 5 0 4752.47 4776.47 73.05 o 2 5 0 59.42 68.63 1.32 o 3 5 0 253.62 261.39 4.12 o 4 5 0 311.50 310.80 6.25 o 5 5 0 127.75 127.37 3.27 o 6 5 0 21.98 23.55 1.41 o 0 6 0 866.49 912.63 16.02 o 1 6 0 679.00 678.44 8.34 o 2 6 0 1729.09 1838.45 22.08 o 3 6 0 107.66 119.59 3.90 o 4 6 0 126.86 125.33 3.05 o 5 6 0 222.13 218.35 5.53 o 6 6 0 40.51 35.43 3.10 o 1 7 0 1241.82 1319.09 15.92 o 2 7 0 57.89 64.95 2.31 o 3 7 0 244.05 250.67 3.42 o 4 7 0 40.09 38.92 1.13 o 5 7 0 23.34 21.23 1.25 o 6 7 0 70.29 72.41 2.65 o 0 8 0 2442.42 2323.20 55.50 o 1 8 0 193.80 222.73 6.15 o 2 8 0 519.07 505.34 6.38 o 3 8 0 30.14 31.41 0.93 o 4 8 0 350.00 335.75 9.31 o 5 8 0 29.74 28.14 1.32 o 6 8 0 14.58 15.71 1.25 o 1 9 0 425.03 411.56 6.00 o 2 9 0 36.00 31.68 0.69 o 3 9 0 170.56 179.38 9.32 o 4 9 0 4.16 5.54 0.54 o 5 9 0 18.39 15.81 1.09 o 6 9 0 38.93 39.43 1.79 o 0 10 0 560.63 439.58 8.07 o 1 10 0 63.57 66.21 1.69 o 2 10 0 77.79 78.85 2.94 o 3 10 0 842.04 870.60 11.99 o 4 10 0 209.82 222.22 4.11 o 5 10 0 13.55 14.62 1.09 o 1 11 0 2674.46 2668.91 37.65 o 2 11 0 669.11 693.63 8.65 o 3 11 0 101.82 115.82 1.87 o 4 11 0 518.73 535.41 9.16 o 5 11 0 28.87 27.42 1.41 o 0 12 0 2886.04 2667.60 70.10 o 1 12 0 462.04 519.24 7.88 o 2 12 0 140.43 136.66 2.07 o 3 12 0 189.90 188.68 2.73 o 4 12 0 78.32 71.75 1.70 o 5 12 0 18.66 15.78 1.11 o 1 13 0 162.32 174.88 2.81 o 2 13 0 141.90 147.92 2.55 o 3 13 0 126.50 123.37 2.90 o 4 13 0 212.23 205.86 4.38 o 5 13 0 50.38 50.52 1.95 o 0 14 0 565.77 439.83 13.27 o 1 14 0 1089.50 1144.82 16.38 o 2 14 0 490.12 514.76 6.63 o 3 14 0 23.16 22.76 0.77 o 4 14 0 701.13 708.95 10.59 o 5 14 0 23.89 25.06 1.32 o 1 15 0 2103.02 2101.49 29.70 o 2 15 0 645.71 658.81 16.89 o 3 15 0 365.79 376.68 5.06 o 4 15 0 20.07 20.99 0.93 o 5 15 0 21.88 19.28 1.25 o 0 16 0 256.20 262.03 7.30 o 1 16 0 103.42 91.16 1.74 o 2 16 0 180.64 173.24 2.57 o 3 16 0 635.93 675.75 8.59 o 4 16 0 39.29 36.33 1.19 o 5 16 0 49.34 51.76 1.95 o 1 17 0 179.33 173.94 3.02 o 2 17 0 363.46 365.74 4.92 o 3 17 0 405.59 417.90 5.58 o 4 17 0 1.37 1.19 0.41 o 5 17 0 86.52 84.03 3.76 o 0 18 0 777.60 859.30 21.23 o 1 18 0 219.74 240.86 4.92 o 2 18 0 406.52 413.12 8.41 o 3 18 0 66.12 68.32 1.50 o 4 18 0 59.10 63.25 1.65 o 5 18 0 8.08 9.73 1.33 o 1 19 0 534.92 539.46 9.69 o 2 19 0 265.92 259.61 3.67 o 3 19 0 89.48 90.27 2.27 o 4 19 0 49.93 58.30 7.63 o 5 19 0 61.84 62.14 3.32 o 0 20 0 515.64 489.57 13.05 o 1 20 0 73.92 71.67 2.11 o 2 20 0 3.66 4.22 0.46 o 3 20 0 62.54 63.10 1.38 o 4 20 0 40.55 46.16 4.53 o 1 21 0 81.16 75.67 2.19 o 2 21 0 267.28 271.93 4.51 o 3 21 0 31.20 28.39 1.55 o 4 21 0 43.57 48.87 2.65 o 0 22 0 1922.61 1907.44 47.10 o 1 22 0 197.54 189.95 4.22 o 2 22 0 662.29 697.05 10.38 o 3 22 0 35.12 35.08 1.48 o 4 22 0 20.79 21.01 1.77 o 1 23 0 234.82 205.59 4.69 o 2 23 0 260.62 257.01 5.39 o 3 23 0 9.63 11.06 0.94 o 0 24 0 712.85 704.29 18.80 o 1 24 0 64.23 65.24 2.19 o 2 24 0 65.77 72.63 2.65 o 3 24 0 83.02 85.18 2.58 o 1 25 0 313.43 309.31 10.28 o 2 25 0 26.19 26.24 1.41 o 3 25 0 12.50 15.19 1.16 o 0 26 0 49.90 47.54 2.65 o 1 26 0 99.75 96.41 2.81 o 2 26 0 124.61 123.17 3.28 o 3 26 0 42.17 36.49 1.72 o 1 27 0 76.79 75.33 2.42 o 2 27 0 66.30 66.24 2.19 o 3 27 0 27.25 26.55 1.41 o 0 28 0 42.70 43.56 2.65 o 1 28 0 23.56 19.98 1.32 o 2 28 0 48.49 53.86 2.03 o 1 29 0 45.80 43.91 1.88 o 2 29 0 21.84 22.69 1.41 o 0 30 0 17.72 20.79 1.99 o 1 30 0 5.92 5.92 0.85 o -1 -30 1 67.90 68.80 2.33 o 0 -30 1 33.43 39.05 3.65 o 1 -30 1 30.92 35.55 1.64 o -2 -29 1 28.76 33.12 1.64 o -1 -29 1 32.03 32.91 1.48 o 0 -29 1 493.56 537.77 10.71 o 1 -29 1 12.41 15.65 1.55 o 2 -29 1 55.28 55.94 3.10 o -2 -28 1 26.57 29.09 1.48 o -1 -28 1 78.21 88.03 2.64 o 0 -28 1 17.56 20.93 0.97 o 1 -28 1 119.82 126.56 3.44 o 2 -28 1 60.10 57.05 3.10 o -3 -27 1 44.53 43.48 1.95 o -2 -27 1 31.22 27.22 1.38 o -1 -27 1 172.73 180.13 3.48 o 0 -27 1 72.77 75.21 1.87 o 1 -27 1 1.68 2.66 0.54 o 2 -27 1 54.89 54.84 3.10 o -3 -26 1 57.58 63.93 4.75 o -2 -26 1 5.82 7.90 0.85 o -1 -26 1 174.88 174.43 3.31 o 0 -26 1 10.49 11.49 0.72 o 1 -26 1 235.43 223.89 5.81 o 2 -26 1 21.94 26.98 1.99 o 3 -26 1 44.83 51.08 2.87 o -3 -25 1 21.59 19.33 1.33 o -2 -25 1 9.31 7.43 0.85 o -1 -25 1 45.27 48.03 1.44 o 0 -25 1 21.69 19.56 0.93 o 1 -25 1 79.16 77.19 2.14 o 2 -25 1 36.62 41.35 2.43 o 3 -25 1 170.12 169.21 9.07 o -4 -24 1 47.07 54.88 2.76 o -3 -24 1 44.83 52.67 1.95 o -2 -24 1 11.07 11.30 1.22 o -1 -24 1 24.97 23.70 1.47 o 0 -24 1 173.25 166.57 3.15 o 1 -24 1 162.26 151.60 2.97 o 2 -24 1 82.70 82.44 2.42 o 3 -24 1 68.23 84.48 2.64 o -4 -23 1 19.89 20.72 1.32 o -3 -23 1 31.60 32.00 1.48 o -2 -23 1 77.24 77.82 3.98 o -1 -23 1 81.75 80.15 1.87 o 0 -23 1 14.99 14.77 0.80 o 1 -23 1 8.03 8.72 0.52 o 2 -23 1 22.68 22.06 1.44 o 3 -23 1 236.15 239.31 5.39 o 4 -23 1 14.02 14.86 1.16 o -4 -22 1 16.63 15.53 1.09 o -3 -22 1 96.85 89.78 2.64 o -2 -22 1 5.95 5.31 0.69 o -1 -22 1 1065.86 1100.29 18.30 o 0 -22 1 22.36 20.50 0.84 o 1 -22 1 314.01 314.43 4.44 o 2 -22 1 64.98 58.64 2.02 o 3 -22 1 38.89 41.15 1.64 o 4 -22 1 4.95 2.31 0.69 o -4 -21 1 154.83 148.81 3.83 o -3 -21 1 180.00 190.76 4.45 o -2 -21 1 35.78 31.86 1.41 o -1 -21 1 115.10 117.68 2.34 o 0 -21 1 145.49 125.77 2.10 o 1 -21 1 160.38 159.61 2.54 o 2 -21 1 206.97 211.74 3.79 o 3 -21 1 47.65 47.04 1.79 o 4 -21 1 32.00 26.05 1.48 o -4 -20 1 71.01 74.98 2.42 o -3 -20 1 77.26 67.48 2.11 o -2 -20 1 1066.93 1105.18 20.01 o -1 -20 1 176.90 167.55 2.56 o 0 -20 1 9.03 10.90 0.77 o 1 -20 1 925.76 930.97 13.57 o 2 -20 1 68.24 61.15 1.57 o 3 -20 1 58.26 58.54 1.95 o 4 -20 1 49.66 46.98 1.95 o -5 -19 1 14.98 17.58 1.25 o -4 -19 1 7.90 7.90 0.85 o -3 -19 1 173.65 190.34 4.30 o -2 -19 1 806.24 823.01 15.24 o -1 -19 1 489.30 508.30 7.87 o 0 -19 1 938.26 884.31 11.24 o 1 -19 1 133.24 122.58 2.04 o 2 -19 1 420.88 420.51 6.68 o 3 -19 1 592.08 590.78 11.56 o 4 -19 1 90.01 86.03 2.73 o -5 -18 1 7.62 7.41 0.94 o -4 -18 1 262.48 257.04 5.71 o -3 -18 1 82.12 83.94 3.10 o -2 -18 1 49.91 50.22 1.64 o -1 -18 1 1213.16 1217.79 15.30 o 0 -18 1 153.20 143.18 2.52 o 1 -18 1 1299.14 1339.20 18.70 o 2 -18 1 1002.29 1030.92 22.41 o 3 -18 1 285.44 280.34 9.95 o 4 -18 1 168.05 170.30 4.21 o -5 -17 1 90.44 88.04 5.53 o -4 -17 1 164.38 172.93 4.22 o -3 -17 1 564.08 571.07 11.02 o -2 -17 1 150.65 157.56 2.84 o -1 -17 1 1016.26 1012.32 17.01 o 0 -17 1 747.68 708.99 14.18 o 1 -17 1 154.36 154.99 2.49 o 2 -17 1 115.98 120.88 2.36 o 3 -17 1 236.71 252.17 5.39 o 4 -17 1 44.29 45.52 1.79 o 5 -17 1 26.51 27.35 1.48 o -5 -16 1 55.94 54.21 2.03 o -4 -16 1 144.20 130.67 5.75 o -3 -16 1 103.66 102.94 2.66 o -2 -16 1 218.10 228.70 3.86 o -1 -16 1 168.46 159.35 4.46 o 0 -16 1 57.26 63.11 1.16 o 1 -16 1 608.83 647.76 8.29 o 2 -16 1 60.20 70.95 1.57 o 3 -16 1 2.83 3.15 0.53 o 4 -16 1 92.64 90.42 2.64 o 5 -16 1 27.21 25.80 1.48 o -5 -15 1 75.78 73.75 4.75 o -4 -15 1 75.51 75.76 2.35 o -3 -15 1 1037.11 1075.15 19.61 o -2 -15 1 267.68 260.78 3.67 o -1 -15 1 363.86 433.00 5.66 o 0 -15 1 2941.36 2990.88 36.67 o 1 -15 1 292.71 293.40 4.00 o 2 -15 1 860.95 882.18 13.06 o 3 -15 1 3.16 3.12 0.77 o 4 -15 1 9.66 10.96 0.94 o 5 -15 1 1.96 3.42 0.88 o -5 -14 1 65.77 61.69 3.10 o -4 -14 1 54.80 49.31 1.72 o -3 -14 1 491.84 502.33 7.74 o -2 -14 1 762.51 814.91 23.86 o -1 -14 1 139.76 148.39 2.21 o 0 -14 1 152.76 154.06 2.23 o 1 -14 1 171.06 159.79 2.38 o 2 -14 1 120.22 136.65 2.92 o 3 -14 1 189.68 184.54 4.21 o 4 -14 1 169.98 146.87 3.67 o 5 -14 1 44.75 50.69 1.95 o -5 -13 1 75.07 72.31 3.32 o -4 -13 1 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31.83 32.63 1.56 o -4 6 8 0.16 0.51 0.53 o -3 6 8 67.18 66.27 2.26 o -2 6 8 4.91 5.98 0.64 o -1 6 8 27.36 27.97 1.41 o 0 6 8 4.68 2.87 0.88 o 1 6 8 28.82 30.52 1.41 o 2 6 8 1.31 0.54 0.53 o -4 7 8 68.96 66.45 2.35 o -3 7 8 104.98 103.19 2.89 o -2 7 8 100.01 102.63 2.34 o -1 7 8 23.85 27.20 1.99 o 0 7 8 133.20 132.47 6.74 o 1 7 8 23.56 28.76 1.88 o 2 7 8 29.79 29.19 1.56 o -4 8 8 174.92 183.26 4.45 o -3 8 8 13.60 15.29 1.09 o -2 8 8 7.33 6.26 0.78 o -1 8 8 62.66 65.45 3.10 o 0 8 8 19.97 20.78 1.44 o 1 8 8 3.05 2.59 0.63 o -4 9 8 10.38 12.62 1.09 o -3 9 8 163.87 177.34 5.97 o -2 9 8 80.19 77.88 5.31 o -1 9 8 1.53 1.39 0.53 o 0 9 8 99.28 104.56 2.97 o 1 9 8 103.54 120.98 3.36 o -4 10 8 102.58 111.23 4.64 o -3 10 8 213.09 228.87 7.30 o -2 10 8 2.88 3.51 0.54 o -1 10 8 506.43 498.86 14.37 o 0 10 8 12.73 12.75 1.01 o 1 10 8 142.94 141.86 3.74 o -4 11 8 9.34 11.72 1.55 o -3 11 8 109.18 119.41 4.64 o -2 11 8 129.80 132.63 2.84 o -1 11 8 1.60 2.87 0.88 o 0 11 8 10.92 10.84 0.94 o 1 11 8 369.52 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