#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/21/2102156.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_2102156_Fobs loop_ _publ_author_name 'Glidewell, Christopher' 'Low, John N.' 'Wardell, James L.' _publ_section_title ; Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 893 _journal_page_last 905 _journal_volume 56 _journal_year 2000 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 95.536 _cell_angle_gamma 90.000 _cell_length_a 7.1028 _cell_length_b 22.9252 _cell_length_c 7.7769 _exptl_crystal_F_000 632.00 _reflns_d_resolution_high 0.7440 _[local]_cod_data_source_file na01075sup6.hkl _[local]_cod_data_source_block 5 #BEGIN Tags that were not found in dictionaries: _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 170.53 _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+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 2 0 0 23208.60 21385.88 1015.40 o 3 0 0 18.48 17.70 5.79 o 4 0 0 1153.43 1243.59 50.90 o 5 0 0 744.29 749.10 44.65 o 1 1 0 5264.05 4962.49 144.97 o 2 1 0 10468.98 10270.37 297.13 o 3 1 0 834.49 853.84 25.05 o 4 1 0 365.23 359.48 15.15 o 5 1 0 36.11 54.56 20.51 o 1 2 0 18.93 22.04 4.17 o 2 2 0 29081.42 28773.88 774.95 o 3 2 0 263.30 290.24 21.04 o 4 2 0 3870.48 4327.87 152.60 o 5 2 0 194.72 180.55 21.95 o 1 3 0 148.84 140.93 10.28 o 2 3 0 5876.42 5958.98 188.49 o 3 3 0 1308.02 1422.94 54.23 o 4 3 0 4245.71 4617.69 188.62 o 5 3 0 27.42 30.46 19.03 o 1 4 0 1564.55 1464.19 52.11 o 2 4 0 1585.76 1684.42 57.68 o 3 4 0 2456.22 2669.39 99.12 o 4 4 0 1407.19 1440.03 78.86 o 5 4 0 260.75 278.82 23.91 o 1 5 0 2528.34 2393.64 89.52 o 2 5 0 0.26 5.97 6.04 o 3 5 0 4558.81 4822.18 190.39 o 4 5 0 4116.07 4410.26 225.77 o 5 5 0 236.43 242.32 53.63 o 1 6 0 227.46 201.26 16.07 o 2 6 0 2658.31 2664.54 100.85 o 3 6 0 355.83 435.16 32.50 o 5 6 0 2106.90 2462.28 233.65 o 2 7 0 1504.11 1556.05 72.55 o 3 7 0 4366.81 4482.56 557.80 o 2 8 0 1110.49 1118.83 48.38 o 3 8 0 1251.63 1315.14 89.02 o 4 8 0 12.51 13.90 10.06 o 5 8 0 12.18 3.84 19.03 o 2 9 0 50.97 67.25 10.97 o 3 9 0 523.70 448.66 38.15 o 4 9 0 286.28 272.87 22.58 o 5 9 0 100.86 86.36 37.66 o 0 10 0 2016.08 2008.29 156.65 o 1 10 0 2590.73 2800.63 246.96 o 2 10 0 136.30 108.53 14.32 o 4 10 0 1.01 -7.99 18.73 o 5 10 0 303.31 298.26 31.12 o 1 11 0 3664.20 3843.86 296.35 o 2 11 0 774.73 799.10 50.33 o 3 11 0 46.18 37.91 16.97 o 4 11 0 181.07 212.37 24.61 o 5 11 0 1.93 -5.52 27.51 o 6 11 0 11.16 24.94 30.46 o 0 12 0 980.74 827.04 68.81 o 1 12 0 1564.73 1567.12 95.53 o 2 12 0 324.77 412.42 27.81 o 3 12 0 506.71 529.16 37.78 o 4 12 0 110.33 112.99 21.42 o 6 12 0 0.98 -28.00 33.62 o 1 13 0 2.28 -8.30 13.90 o 2 13 0 118.02 128.16 25.93 o 3 13 0 16.84 -0.96 44.86 o 4 13 0 39.67 -4.53 21.82 o 5 13 0 30.26 -16.66 33.42 o 0 14 0 3.17 22.87 21.59 o 1 14 0 489.66 490.46 27.97 o 2 14 0 196.95 246.17 33.32 o 3 14 0 779.16 826.25 83.21 o 4 14 0 603.28 588.99 58.12 o 5 14 0 81.53 90.80 40.52 o 6 14 0 0.00 -12.82 41.31 o 1 15 0 2507.29 2642.59 151.21 o 2 15 0 1811.72 2050.29 194.12 o 3 15 0 250.87 273.87 44.56 o 4 15 0 17.89 -44.36 44.36 o 5 15 0 13.85 -37.76 37.76 o 6 15 0 5.29 -25.28 47.03 o 7 15 0 32.10 11.04 52.64 o 0 16 0 3359.29 3680.90 310.55 o 1 16 0 1071.50 1006.58 52.42 o 2 16 0 1.62 12.32 29.48 o 3 16 0 407.46 394.01 34.93 o 4 16 0 201.40 125.20 44.46 o 5 16 0 147.54 126.47 50.33 o 6 16 0 300.26 301.08 60.33 o 7 16 0 87.73 148.37 43.29 o 1 17 0 48.90 27.23 14.78 o 2 17 0 474.72 507.15 41.49 o 3 17 0 2315.93 2288.34 117.01 o 4 17 0 92.09 91.09 33.22 o 5 17 0 2.15 -17.35 36.08 o 6 17 0 17.62 -54.03 54.03 o 0 18 0 69.67 147.88 34.21 o 1 18 0 15.42 0.81 17.50 o 2 18 0 1101.54 1079.84 51.67 o 3 18 0 64.82 106.77 42.49 o 4 18 0 184.47 114.14 43.53 o 5 18 0 617.03 675.31 78.77 o 6 18 0 21.28 23.66 60.33 o 1 19 0 270.87 271.88 32.38 o 2 19 0 64.78 74.99 42.84 o 3 19 0 214.67 223.30 43.77 o 4 19 0 33.45 28.20 35.20 o 5 19 0 0.55 54.22 56.69 o 6 19 0 22.45 94.15 75.91 o 0 20 0 233.76 200.84 31.29 o 1 20 0 32.91 -32.24 40.32 o 2 20 0 18.87 31.94 35.39 o 3 20 0 262.83 272.00 46.14 o 4 20 0 424.69 463.16 66.84 o 5 20 0 509.68 646.23 80.64 o 1 21 0 81.88 69.11 40.32 o 2 21 0 594.52 543.41 60.14 o 3 21 0 1023.70 1143.40 117.91 o 4 21 0 323.50 513.14 72.76 o 5 21 0 4.98 -15.87 56.19 o 0 22 0 1678.38 1590.09 166.31 o 1 22 0 163.86 193.52 43.87 o 2 22 0 0.10 -2.27 41.11 o 3 22 0 0.00 11.44 43.28 o 4 22 0 178.81 129.15 50.18 o 5 22 0 364.63 337.36 93.46 o 1 23 0 1191.60 1203.73 126.98 o 2 23 0 275.62 374.33 56.29 o 3 23 0 53.21 -18.71 42.49 o 4 23 0 46.19 73.15 51.17 o 0 24 0 234.38 209.59 50.18 o 1 24 0 11.57 -43.87 45.05 o 2 24 0 24.32 28.49 51.36 o 3 24 0 376.63 508.98 48.41 o 4 24 0 40.21 82.32 55.70 o 1 25 0 10.33 16.17 56.59 o 2 25 0 15.31 11.44 46.83 o 3 25 0 0.18 20.54 40.55 o 0 26 0 92.97 116.82 56.10 o 1 26 0 511.56 433.58 69.60 o 2 26 0 1.72 60.53 50.28 o 3 26 0 54.82 122.40 41.34 o 1 27 0 553.79 501.99 55.75 o 2 27 0 364.91 371.57 70.00 o -5 1 1 92.89 94.24 7.06 o -4 1 1 4.70 8.16 4.92 o -3 1 1 263.04 253.02 11.21 o -2 1 1 251.88 233.45 8.75 o -1 1 1 4729.43 4556.88 114.96 o 1 1 1 4461.37 4264.12 137.74 o 2 1 1 1241.48 1222.14 39.35 o 3 1 1 1647.59 1757.35 57.39 o 4 1 1 12.44 18.12 7.21 o 5 1 1 894.42 865.67 44.74 o -5 2 1 86.04 97.72 8.82 o -4 2 1 322.86 339.79 15.37 o -3 2 1 702.49 766.46 25.24 o -2 2 1 969.20 911.06 28.16 o -1 2 1 383.33 356.69 10.44 o 0 2 1 888.93 946.59 32.96 o 1 2 1 248.78 262.48 10.11 o 2 2 1 1968.03 2012.84 62.15 o 3 2 1 9.61 17.39 5.58 o 4 2 1 111.06 119.80 8.89 o -4 3 1 790.30 805.92 30.38 o -3 3 1 23.29 26.71 4.95 o -2 3 1 17.09 16.26 6.50 o -1 3 1 35.86 34.78 4.79 o 1 3 1 2067.91 1928.38 53.20 o 2 3 1 5.90 10.79 3.63 o 3 3 1 756.25 797.53 26.78 o 4 3 1 445.00 475.59 47.01 o 5 3 1 205.97 227.41 22.20 o -5 4 1 1075.91 968.31 71.18 o -4 4 1 918.02 923.85 39.17 o -3 4 1 191.28 197.10 9.02 o -2 4 1 585.00 583.88 19.09 o -1 4 1 1792.08 1630.80 49.77 o 0 4 1 8.81 18.59 4.69 o 1 4 1 552.06 556.34 16.58 o 2 4 1 646.36 658.51 23.59 o 3 4 1 2845.66 3031.80 93.14 o 4 4 1 1651.05 1815.07 137.23 o -4 5 1 10.26 22.53 7.14 o -3 5 1 25.35 28.80 7.53 o -2 5 1 1489.08 1374.33 44.18 o -1 5 1 2169.98 1980.39 63.19 o 1 5 1 45.73 50.48 3.42 o 2 5 1 1030.31 897.16 29.24 o 3 5 1 710.25 852.11 30.21 o 4 5 1 504.88 438.05 23.92 o -5 6 1 97.52 126.58 26.91 o -3 6 1 3.05 30.70 14.74 o -2 6 1 171.17 169.65 7.34 o -1 6 1 36.15 44.85 4.07 o 1 6 1 593.73 541.82 37.08 o 2 6 1 2573.31 2547.51 113.39 o 3 6 1 2.23 2.33 8.78 o 4 6 1 5.10 0.48 7.01 o 5 6 1 174.61 197.17 32.34 o -5 7 1 493.02 475.48 46.24 o -4 7 1 204.00 204.37 17.77 o -3 7 1 4765.17 5464.57 210.00 o -2 7 1 1279.02 1144.69 52.42 o -1 7 1 4.79 1.38 6.90 o 1 7 1 1357.91 1388.53 152.49 o 2 7 1 1005.72 979.84 47.20 o 3 7 1 211.01 224.61 13.38 o 4 7 1 239.47 232.25 56.83 o 5 7 1 860.29 987.47 63.32 o -5 8 1 146.37 98.59 26.91 o -3 8 1 1095.67 1167.45 71.57 o -2 8 1 1215.63 1220.47 54.16 o -1 8 1 1589.50 1368.77 97.11 o 4 8 1 1009.94 1019.97 60.90 o 5 8 1 176.51 149.55 22.77 o -3 9 1 8.00 1.28 16.37 o -1 9 1 5420.80 5667.90 428.36 o 0 9 1 12.31 22.99 9.21 o 2 9 1 630.60 605.20 38.03 o 3 9 1 169.46 182.77 18.10 o 4 9 1 117.36 81.53 13.01 o 5 9 1 277.47 168.78 21.89 o -8 10 1 17.80 44.56 64.87 o -6 10 1 183.34 138.22 31.94 o -5 10 1 22.27 38.52 25.04 o -4 10 1 138.56 144.85 19.65 o -3 10 1 210.20 195.58 15.72 o -2 10 1 1.25 -15.97 15.97 o -1 10 1 2955.95 2950.18 226.06 o 0 10 1 3369.13 3474.70 195.29 o 1 10 1 4921.70 5213.86 400.26 o 2 10 1 803.79 756.25 66.94 o 5 10 1 0.02 -10.75 10.75 o -6 11 1 56.34 36.48 23.86 o -5 11 1 43.84 39.21 51.81 o -4 11 1 78.32 55.21 23.36 o -3 11 1 88.34 81.67 21.84 o -2 11 1 753.80 809.09 68.81 o -1 11 1 325.94 359.44 32.53 o 0 11 1 2235.68 2212.56 128.41 o 1 11 1 489.99 479.72 43.48 o 3 11 1 120.24 130.32 21.14 o 4 11 1 365.79 291.24 29.68 o 5 11 1 236.50 182.98 49.49 o -5 12 1 92.50 56.10 32.34 o -4 12 1 587.48 587.61 44.38 o -3 12 1 110.47 107.95 24.55 o -2 12 1 19.98 24.35 18.24 o -1 12 1 334.22 366.94 35.00 o 0 12 1 959.55 1089.03 53.80 o 1 12 1 1441.62 1649.53 98.07 o 2 12 1 57.31 92.67 22.58 o 3 12 1 389.00 420.07 46.43 o 4 12 1 195.86 164.94 30.22 o 5 12 1 88.18 43.67 32.73 o 6 12 1 44.79 41.50 44.27 o -6 13 1 0.87 0.00 31.55 o -5 13 1 252.67 265.29 43.87 o -4 13 1 42.08 18.65 19.83 o -3 13 1 83.10 130.21 19.31 o -2 13 1 1.79 8.49 6.12 o -1 13 1 73.31 36.48 21.49 o 0 13 1 1337.37 1319.19 64.80 o 1 13 1 314.83 329.22 20.79 o 2 13 1 629.84 671.73 50.01 o 3 13 1 3560.33 4150.07 367.23 o 4 13 1 60.83 80.74 32.34 o 6 13 1 525.85 377.39 52.35 o -7 14 1 104.14 152.91 59.45 o -6 14 1 223.26 132.89 40.62 o -5 14 1 353.90 291.81 48.11 o -4 14 1 22.39 11.04 29.38 o -3 14 1 562.92 529.48 41.86 o -2 14 1 937.34 796.05 115.10 o -1 14 1 18.05 2.41 21.74 o 0 14 1 42.31 75.76 13.01 o 1 14 1 342.37 344.01 27.19 o 2 14 1 2587.27 2963.52 195.35 o 3 14 1 35.26 38.82 22.82 o 4 14 1 106.00 201.31 39.83 o 5 14 1 69.26 108.84 53.83 o 7 14 1 8.98 -49.79 51.26 o -7 15 1 45.42 82.81 52.55 o -6 15 1 0.89 17.78 53.04 o -4 15 1 355.83 313.79 36.17 o -3 15 1 1492.55 1479.88 98.49 o -2 15 1 20.06 18.91 12.82 o -1 15 1 57.00 28.87 14.31 o 0 15 1 269.14 266.91 20.81 o 1 15 1 160.31 168.63 18.04 o 2 15 1 47.89 43.53 27.36 o 3 15 1 668.91 601.68 64.82 o 4 15 1 137.44 168.15 79.26 o 5 15 1 377.01 329.38 57.08 o 6 15 1 172.85 112.85 38.27 o 7 15 1 7.03 -52.74 54.12 o -7 16 1 1.89 6.90 60.83 o -6 16 1 8.69 18.44 42.19 o -3 16 1 1563.90 1625.80 103.94 o -2 16 1 56.71 54.20 9.46 o -1 16 1 679.73 647.40 49.11 o 0 16 1 158.29 178.90 26.77 o 1 16 1 468.74 423.43 28.36 o 2 16 1 388.07 439.10 51.26 o 3 16 1 192.88 163.36 38.65 o 4 16 1 223.66 264.60 50.08 o 5 16 1 0.10 30.98 40.96 o 6 16 1 108.19 137.63 55.80 o -6 17 1 2.83 75.02 51.36 o -5 17 1 76.03 24.92 31.70 o -4 17 1 401.25 410.02 53.14 o -3 17 1 1207.34 1170.66 97.11 o -2 17 1 7.58 10.70 9.60 o -1 17 1 108.73 121.24 24.22 o 0 17 1 481.83 435.19 41.21 o 1 17 1 321.13 294.75 25.32 o 2 17 1 153.05 176.36 20.45 o 3 17 1 198.67 163.66 61.11 o 4 17 1 2.49 15.26 28.44 o 5 17 1 26.96 33.62 39.93 o 6 17 1 6.00 60.73 63.39 o -6 18 1 120.35 181.10 60.73 o -5 18 1 31.54 -2.46 43.38 o -4 18 1 18.12 29.99 35.59 o -3 18 1 60.64 56.29 35.69 o -2 18 1 2.05 6.99 10.32 o -1 18 1 17.58 13.48 17.15 o 0 18 1 174.64 129.07 22.53 o 1 18 1 225.92 231.44 37.31 o 2 18 1 32.39 38.45 20.99 o 3 18 1 616.01 791.25 78.87 o 4 18 1 43.86 80.25 33.12 o 5 18 1 42.92 64.48 53.33 o 6 18 1 91.08 36.87 61.81 o -6 19 1 204.99 189.78 67.14 o -5 19 1 568.25 720.17 93.07 o -4 19 1 278.67 260.96 49.88 o -3 19 1 183.67 151.33 36.77 o -2 19 1 433.23 402.64 55.64 o -1 19 1 14.89 51.12 23.56 o 0 19 1 2.42 5.18 14.97 o 1 19 1 33.01 34.51 42.38 o 2 19 1 255.84 327.58 42.82 o 3 19 1 820.00 902.85 94.94 o 4 19 1 361.03 359.84 67.83 o 5 19 1 648.49 950.47 115.05 o 6 19 1 0.27 -57.67 64.28 o -6 20 1 26.47 -22.18 57.38 o -5 20 1 2.81 39.34 42.98 o -4 20 1 238.33 283.53 52.15 o -3 20 1 262.63 277.03 46.14 o -2 20 1 310.49 321.26 27.46 o -1 20 1 827.54 776.57 152.17 o 0 20 1 28.09 -14.41 50.34 o 1 20 1 269.51 213.64 46.34 o 2 20 1 61.14 125.89 43.57 o 3 20 1 1280.42 1529.56 157.05 o 4 20 1 43.28 37.46 39.83 o 5 20 1 31.02 -65.17 67.63 o -5 21 1 19.42 68.52 50.28 o -4 21 1 10.41 19.91 51.46 o -3 21 1 104.53 75.42 41.21 o -2 21 1 62.47 64.12 16.82 o -1 21 1 107.11 125.40 39.14 o 0 21 1 48.37 94.30 58.31 o 1 21 1 86.59 105.09 43.97 o 2 21 1 0.75 56.00 46.93 o 3 21 1 7.57 7.99 45.74 o 4 21 1 0.11 28.00 46.73 o 5 21 1 5.53 -37.96 60.04 o -5 22 1 0.46 -6.11 63.49 o -4 22 1 429.62 462.96 70.00 o -3 22 1 333.65 411.10 58.86 o -2 22 1 41.09 11.44 38.84 o -1 22 1 1122.81 1207.78 104.11 o 0 22 1 280.71 312.78 35.01 o 1 22 1 1012.07 1149.71 107.75 o 2 22 1 6.88 -39.92 44.12 o 3 22 1 360.79 358.36 59.84 o 4 22 1 14.29 38.45 53.63 o 5 22 1 8.64 89.12 55.01 o -5 23 1 118.68 155.77 61.12 o -4 23 1 14.62 62.90 50.08 o -3 23 1 339.23 369.81 47.96 o -2 23 1 118.67 129.05 42.29 o -1 23 1 2.84 -48.41 48.41 o 0 23 1 26.63 30.25 29.63 o 1 23 1 31.97 -26.62 45.05 o 2 23 1 55.92 -27.79 28.68 o 3 23 1 33.31 103.81 52.55 o 4 23 1 297.51 252.48 78.38 o -4 24 1 139.46 122.53 45.99 o -3 24 1 1.29 -7.98 36.55 o -2 24 1 93.94 89.12 46.83 o -1 24 1 132.18 90.01 45.05 o 0 24 1 9.87 0.46 34.86 o 1 24 1 479.34 473.01 75.52 o 2 24 1 53.10 49.10 50.28 o 3 24 1 7.46 99.18 55.90 o 4 24 1 8.52 -41.80 55.80 o -4 25 1 5.37 -29.08 53.43 o -3 25 1 80.33 98.07 49.19 o -2 25 1 5.69 -42.29 50.28 o -1 25 1 208.92 341.90 60.24 o 0 25 1 365.65 424.68 46.72 o 1 25 1 109.99 180.51 56.79 o 2 25 1 239.23 315.38 66.45 o 3 25 1 656.37 672.05 59.36 o -3 26 1 2.70 13.70 50.18 o -2 26 1 140.36 173.91 49.29 o -1 26 1 117.69 111.95 38.54 o 0 26 1 44.60 69.57 38.38 o 1 26 1 199.90 194.51 66.05 o 2 26 1 57.61 11.44 58.26 o -2 27 1 16.60 25.24 55.01 o -1 27 1 19.16 45.60 43.81 o 0 27 1 11.39 -0.35 41.82 o 1 27 1 9.49 11.04 39.55 o 0 28 1 117.10 58.56 60.93 o -4 0 2 702.31 773.76 36.27 o -3 0 2 1169.61 1154.58 48.69 o -2 0 2 670.03 619.67 20.78 o -1 0 2 13986.30 13586.24 467.24 o 0 0 2 93.18 152.24 10.47 o 1 0 2 4434.73 4235.69 165.32 o 2 0 2 12947.54 13118.58 601.57 o 3 0 2 1008.68 1007.93 57.65 o 4 0 2 1.18 46.43 28.00 o 5 0 2 597.58 750.53 67.73 o -5 1 2 501.29 497.56 27.58 o -4 1 2 138.15 138.17 10.11 o -3 1 2 129.55 123.31 8.23 o -2 1 2 124.51 136.18 7.83 o -1 1 2 27084.43 26527.80 588.35 o 0 1 2 3872.83 3610.11 87.10 o 1 1 2 5209.90 5242.76 143.28 o 2 1 2 1289.79 1224.52 39.64 o 3 1 2 125.84 123.85 10.47 o 4 1 2 537.56 581.89 26.85 o 5 1 2 1436.12 1575.41 85.90 o -4 2 2 11.13 -5.30 7.56 o -3 2 2 325.58 331.80 23.89 o -2 2 2 1020.88 1009.15 24.82 o -1 2 2 3596.53 3845.88 78.18 o 0 2 2 18867.23 17920.44 459.47 o 1 2 2 599.10 597.62 17.42 o 2 2 2 1445.65 1476.88 48.32 o 3 2 2 794.41 811.89 30.50 o 4 2 2 588.56 715.65 49.40 o 5 2 2 516.15 490.49 44.07 o -4 3 2 261.31 248.06 15.45 o -3 3 2 22.02 28.33 6.48 o -2 3 2 1773.50 1617.14 38.62 o -1 3 2 4782.23 4854.26 141.14 o 0 3 2 312.29 330.20 12.02 o 1 3 2 121.36 136.05 4.96 o 2 3 2 316.10 269.32 15.76 o 3 3 2 681.42 731.98 25.28 o 4 3 2 1765.92 1913.29 120.34 o 5 3 2 233.60 234.90 23.61 o 6 3 2 10.54 19.62 19.62 o -5 4 2 92.40 125.89 19.17 o -4 4 2 1005.78 1023.58 62.62 o -3 4 2 1002.19 1074.53 31.43 o -2 4 2 459.61 482.91 14.02 o -1 4 2 787.42 701.72 17.29 o 0 4 2 2229.41 2145.39 104.18 o 1 4 2 270.03 272.14 9.56 o 2 4 2 4415.42 4716.06 149.72 o 3 4 2 217.94 219.63 10.02 o 4 4 2 278.68 279.15 18.72 o 5 4 2 18.67 7.20 18.04 o 7 4 2 14.81 85.08 46.53 o -4 5 2 4453.56 4939.67 171.83 o -3 5 2 0.83 14.38 8.02 o -2 5 2 1344.20 1259.26 32.83 o -1 5 2 188.32 172.02 8.07 o 0 5 2 1496.09 1498.40 113.57 o 1 5 2 611.95 569.81 21.73 o 2 5 2 59.97 59.08 6.52 o 3 5 2 1177.94 1251.31 54.00 o 4 5 2 208.82 205.36 16.99 o 5 5 2 300.41 378.87 50.97 o -3 6 2 5020.75 5291.25 213.22 o -2 6 2 7158.58 6813.74 615.42 o -1 6 2 420.93 458.10 30.49 o 0 6 2 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