#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/21/2102154.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_2102154_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 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 106.644 _cell_angle_gamma 90.000 _cell_length_a 10.1301 _cell_length_b 6.3474 _cell_length_c 11.1133 _exptl_crystal_F_000 332.00 _reflns_d_resolution_high 0.7695 _[local]_cod_data_source_file na01073sup4.hkl _[local]_cod_data_source_block 3 #BEGIN Tags that were not found in dictionaries: _shelx_title ' 00SRC063 in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 73.15 _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 1 0 0 2013.64 22.95 297.91 o 2 0 0 11.54 11.52 0.43 o 3 0 0 748.64 772.11 25.30 o 4 0 0 523.82 535.97 19.57 o 5 0 0 525.68 563.19 22.22 o 6 0 0 63.99 68.15 4.27 o 7 0 0 383.48 380.62 13.23 o 8 0 0 40.77 46.71 1.81 o 9 0 0 505.18 550.17 35.43 o 10 0 0 86.85 88.82 7.18 o 11 0 0 1.02 0.57 1.34 o 12 0 0 3.81 7.32 2.14 o 1 1 0 330.34 283.49 9.91 o 2 1 0 3178.07 2970.03 88.76 o 3 1 0 1221.74 1257.31 36.99 o 4 1 0 1704.85 1693.71 43.53 o 5 1 0 1590.34 1689.32 45.82 o 6 1 0 317.12 319.49 8.68 o 7 1 0 3.65 3.35 0.38 o 8 1 0 472.65 520.95 17.33 o 9 1 0 350.31 375.90 20.09 o 10 1 0 322.95 344.07 10.27 o 11 1 0 127.73 122.49 5.52 o 12 1 0 20.50 16.50 2.13 o 0 2 0 3151.40 2790.30 115.49 o 1 2 0 425.44 378.15 10.10 o 2 2 0 424.77 396.80 7.79 o 3 2 0 355.56 339.88 10.67 o 4 2 0 851.37 907.13 30.41 o 5 2 0 167.95 151.32 6.16 o 6 2 0 466.21 449.47 23.07 o 7 2 0 224.14 229.51 10.71 o 8 2 0 40.38 42.37 1.87 o 9 2 0 60.54 57.35 4.89 o 10 2 0 101.23 106.92 5.31 o 11 2 0 29.76 26.78 2.92 o 12 2 0 34.07 34.06 2.73 o 1 3 0 293.12 281.19 6.12 o 2 3 0 1098.42 1047.87 27.89 o 3 3 0 55.44 63.31 3.63 o 4 3 0 116.24 100.30 7.57 o 5 3 0 150.48 137.91 16.48 o 6 3 0 142.95 127.45 17.21 o 7 3 0 382.85 365.63 37.81 o 8 3 0 56.93 60.35 3.81 o 9 3 0 269.11 284.71 21.39 o 10 3 0 110.04 124.99 7.36 o 11 3 0 161.36 175.73 15.49 o 0 4 0 241.77 211.67 9.64 o 1 4 0 522.24 507.33 9.86 o 2 4 0 50.78 60.98 1.73 o 3 4 0 187.95 187.34 6.74 o 4 4 0 288.05 258.77 18.15 o 5 4 0 229.14 216.70 18.49 o 6 4 0 541.76 534.86 53.58 o 7 4 0 5.77 6.61 0.87 o 8 4 0 28.10 24.65 2.05 o 9 4 0 35.61 39.12 6.20 o 10 4 0 19.94 21.59 4.08 o 11 4 0 34.47 31.94 4.01 o 1 5 0 220.74 214.56 4.19 o 2 5 0 94.88 88.43 2.89 o 3 5 0 9.34 9.41 0.67 o 4 5 0 227.25 219.82 10.32 o 5 5 0 85.32 75.87 7.87 o 6 5 0 99.13 95.36 8.61 o 7 5 0 71.77 61.80 6.00 o 8 5 0 1.86 2.23 1.21 o 9 5 0 17.18 21.82 2.14 o 10 5 0 70.52 70.96 7.22 o 0 6 0 383.16 389.13 10.47 o 1 6 0 234.23 247.91 4.97 o 2 6 0 273.93 288.29 6.79 o 3 6 0 110.67 115.10 3.15 o 4 6 0 28.18 26.39 1.42 o 5 6 0 42.68 42.86 2.39 o 6 6 0 108.94 102.44 11.66 o 7 6 0 5.87 6.32 2.33 o 8 6 0 7.31 8.02 1.54 o 1 7 0 20.95 22.66 1.92 o 2 7 0 84.23 89.81 3.19 o 3 7 0 37.69 33.89 2.10 o 4 7 0 100.51 106.10 7.92 o 5 7 0 21.11 19.19 2.37 o 6 7 0 20.48 22.50 3.67 o 0 8 0 21.90 26.75 3.45 o 1 8 0 37.63 38.65 2.72 o 2 8 0 70.16 75.67 3.84 o 3 8 0 35.94 40.19 3.17 o -12 0 1 111.57 101.65 7.33 o -11 0 1 138.10 152.36 11.28 o -10 0 1 22.23 20.30 1.45 o -9 0 1 35.30 36.29 1.53 o -8 0 1 57.70 62.44 2.74 o -7 0 1 450.07 498.94 18.11 o -6 0 1 821.96 824.61 29.53 o -5 0 1 495.08 470.83 21.03 o -4 0 1 276.61 279.00 11.00 o -3 0 1 34.80 35.46 1.03 o -2 0 1 1746.49 1664.12 50.91 o -1 0 1 305.56 197.76 49.03 o 1 0 1 323.32 316.75 14.44 o 2 0 1 988.08 1073.79 35.58 o 3 0 1 537.09 521.77 14.83 o 4 0 1 6.48 7.85 0.67 o 5 0 1 7.47 8.09 0.60 o 6 0 1 601.33 595.48 19.55 o 7 0 1 14.26 14.63 1.16 o 8 0 1 223.27 246.49 7.73 o 9 0 1 184.13 207.22 11.52 o 10 0 1 3.04 2.58 1.17 o 11 0 1 0.38 -1.95 1.95 o 12 0 1 0.01 0.23 5.31 o -12 1 1 26.01 20.56 2.12 o -11 1 1 55.67 51.24 3.63 o -10 1 1 392.98 411.61 17.38 o -9 1 1 371.07 388.88 13.77 o -8 1 1 59.38 56.52 2.11 o -7 1 1 343.87 363.42 12.04 o -6 1 1 248.56 270.45 6.91 o -5 1 1 373.88 403.04 11.25 o -4 1 1 96.63 101.19 2.32 o -3 1 1 660.60 664.97 18.15 o -2 1 1 721.80 662.47 19.76 o -1 1 1 783.73 693.14 18.24 o 0 1 1 296.29 266.61 6.39 o 1 1 1 2120.02 2017.52 77.66 o 2 1 1 1381.93 1404.33 53.65 o 3 1 1 2432.18 2629.14 82.80 o 4 1 1 1262.97 1360.16 51.16 o 5 1 1 226.75 245.33 8.56 o 6 1 1 32.99 30.11 1.36 o 7 1 1 230.44 242.76 7.48 o 8 1 1 102.40 97.83 2.97 o 9 1 1 9.53 11.15 0.93 o 10 1 1 309.63 329.83 11.27 o 11 1 1 148.11 151.84 6.38 o 12 1 1 22.62 19.92 2.63 o -12 2 1 62.68 57.43 6.88 o -11 2 1 126.49 126.25 7.44 o -10 2 1 19.18 18.49 1.26 o -9 2 1 1.31 1.94 0.53 o -8 2 1 82.73 81.38 3.82 o -7 2 1 76.70 71.80 3.40 o -6 2 1 338.50 340.19 12.14 o -5 2 1 1217.83 1244.68 46.17 o -4 2 1 189.84 219.80 8.02 o -3 2 1 303.31 288.39 10.84 o -2 2 1 174.25 156.30 5.42 o -1 2 1 1544.56 1394.40 37.51 o 0 2 1 2243.33 1944.00 63.14 o 1 2 1 339.94 300.84 8.80 o 2 2 1 5.88 5.05 0.38 o 3 2 1 402.08 395.16 18.64 o 4 2 1 65.67 78.99 4.09 o 5 2 1 266.37 308.03 17.01 o 6 2 1 301.66 287.51 16.49 o 7 2 1 123.60 113.57 6.81 o 8 2 1 193.59 213.18 9.70 o 9 2 1 206.08 214.64 8.52 o 10 2 1 47.54 39.72 2.64 o 11 2 1 22.29 19.87 1.75 o -11 3 1 124.01 117.24 12.02 o -10 3 1 102.65 116.57 8.85 o -9 3 1 18.07 17.32 1.89 o -8 3 1 116.07 119.85 7.01 o -7 3 1 254.55 242.95 18.56 o -6 3 1 84.99 83.16 5.14 o -5 3 1 289.32 295.11 14.66 o -4 3 1 461.02 412.14 19.25 o -3 3 1 149.18 145.78 4.10 o -2 3 1 88.93 78.42 2.29 o -1 3 1 752.45 670.34 18.60 o 0 3 1 485.58 523.88 12.31 o 1 3 1 821.24 743.18 18.84 o 2 3 1 108.10 97.34 4.27 o 3 3 1 576.24 502.02 34.31 o 4 3 1 533.89 500.35 36.78 o 5 3 1 367.58 343.81 32.94 o 6 3 1 161.53 159.34 15.31 o 7 3 1 73.06 83.94 5.84 o 8 3 1 11.11 11.32 0.68 o 9 3 1 251.90 234.37 19.47 o 10 3 1 18.27 22.32 3.05 o 11 3 1 49.44 50.65 8.03 o -11 4 1 21.61 23.19 3.30 o -10 4 1 17.87 18.27 1.79 o -9 4 1 148.92 141.79 26.83 o -8 4 1 60.27 58.60 4.73 o -7 4 1 94.62 77.79 9.19 o -6 4 1 311.63 270.78 30.71 o -5 4 1 506.64 447.69 33.88 o -4 4 1 20.91 18.64 0.88 o -3 4 1 893.84 876.58 20.79 o -2 4 1 532.54 513.88 12.00 o -1 4 1 275.74 279.83 6.13 o 0 4 1 234.10 205.16 5.94 o 1 4 1 155.71 139.72 3.67 o 2 4 1 89.98 76.81 2.51 o 3 4 1 209.53 208.48 11.90 o 4 4 1 24.13 27.18 1.94 o 5 4 1 398.20 367.45 36.02 o 6 4 1 278.59 258.44 27.55 o 7 4 1 54.18 53.71 4.29 o 8 4 1 131.72 133.40 10.76 o 9 4 1 94.04 79.41 13.23 o 10 4 1 18.19 18.60 2.68 o -10 5 1 82.92 73.42 4.16 o -9 5 1 37.16 37.24 4.30 o -8 5 1 131.12 124.10 51.25 o -7 5 1 141.66 137.92 16.66 o -6 5 1 4.46 4.85 0.85 o -5 5 1 1.95 0.27 0.70 o -4 5 1 269.92 289.04 7.43 o -3 5 1 120.18 116.09 2.79 o -2 5 1 154.43 151.76 3.53 o -1 5 1 74.30 73.37 1.69 o 0 5 1 50.00 50.00 1.28 o 1 5 1 401.45 392.57 10.65 o 2 5 1 110.51 108.00 2.91 o 3 5 1 83.23 69.26 2.92 o 4 5 1 210.87 184.44 9.99 o 5 5 1 427.34 382.22 36.57 o 6 5 1 43.59 32.85 3.64 o 7 5 1 230.90 191.86 33.54 o 8 5 1 86.00 83.89 13.48 o 9 5 1 60.12 70.82 8.59 o -8 6 1 58.02 68.84 10.38 o -7 6 1 57.18 62.58 3.34 o -6 6 1 60.34 60.81 11.29 o -5 6 1 47.73 45.16 3.44 o -4 6 1 59.00 64.39 2.31 o -3 6 1 54.18 53.69 1.72 o -2 6 1 43.29 42.48 1.33 o -1 6 1 8.46 10.85 0.79 o 0 6 1 352.64 374.41 8.57 o 1 6 1 311.49 316.33 8.63 o 2 6 1 90.43 91.02 2.95 o 3 6 1 60.60 62.15 3.41 o 4 6 1 6.79 4.82 1.35 o 5 6 1 40.52 44.37 4.67 o 6 6 1 47.99 48.21 6.73 o 7 6 1 0.43 0.86 1.19 o 8 6 1 0.56 -0.03 2.42 o -6 7 1 2.91 2.74 1.88 o -5 7 1 14.97 14.67 1.65 o -4 7 1 30.18 33.64 2.25 o -3 7 1 23.70 23.95 1.57 o -2 7 1 89.00 102.09 4.21 o -1 7 1 35.58 36.40 1.57 o 0 7 1 69.59 73.49 2.95 o 1 7 1 46.47 46.30 1.96 o 2 7 1 88.81 97.75 2.63 o 3 7 1 19.82 17.68 1.93 o 4 7 1 13.15 16.40 3.56 o 5 7 1 70.23 85.39 8.99 o 6 7 1 44.55 46.87 9.19 o -3 8 1 76.03 75.29 4.29 o -2 8 1 54.25 66.56 4.94 o -1 8 1 8.41 11.27 2.83 o 0 8 1 12.01 14.02 1.96 o 1 8 1 16.13 16.72 2.14 o 2 8 1 27.52 29.71 2.91 o -13 0 2 87.44 69.12 5.61 o -12 0 2 170.46 174.75 16.59 o -11 0 2 16.45 18.27 1.70 o -10 0 2 96.02 96.76 3.95 o -9 0 2 449.63 511.84 27.17 o -8 0 2 5.94 7.76 1.22 o -7 0 2 273.91 283.97 12.14 o -6 0 2 816.55 830.66 36.11 o -5 0 2 946.70 945.34 37.77 o -4 0 2 216.89 207.32 8.92 o -3 0 2 1333.65 1323.21 64.02 o -2 0 2 335.01 327.41 16.16 o -1 0 2 1525.80 1465.69 47.50 o 0 0 2 3.24 4.48 0.42 o 2 0 2 2666.90 2962.30 104.50 o 3 0 2 338.83 361.17 11.60 o 4 0 2 711.45 749.67 22.76 o 5 0 2 6.21 4.57 0.46 o 6 0 2 16.60 17.74 1.00 o 7 0 2 115.40 139.70 6.58 o 8 0 2 13.32 14.58 1.22 o 9 0 2 324.05 369.90 13.43 o 10 0 2 103.90 96.03 4.18 o 11 0 2 14.29 13.59 2.64 o -12 1 2 76.12 63.39 3.28 o -11 1 2 51.07 49.26 4.72 o -10 1 2 131.91 138.53 6.29 o -9 1 2 61.08 58.02 2.61 o -8 1 2 296.18 299.65 10.62 o -7 1 2 209.00 204.54 7.56 o -6 1 2 287.56 300.46 7.93 o -5 1 2 130.34 134.19 3.61 o -4 1 2 600.43 639.31 15.98 o -3 1 2 570.70 567.19 17.99 o -2 1 2 5350.89 4740.85 100.65 o 0 1 2 1007.63 963.74 26.21 o 1 1 2 261.04 294.63 8.66 o 2 1 2 533.88 627.74 17.31 o 3 1 2 902.78 898.09 23.90 o 4 1 2 1136.08 1179.14 39.07 o 5 1 2 81.75 87.62 4.47 o 6 1 2 300.39 323.01 12.65 o 7 1 2 85.60 98.77 2.71 o 8 1 2 34.71 34.99 1.27 o 9 1 2 107.08 114.10 3.43 o 10 1 2 73.09 69.71 5.37 o 11 1 2 73.93 66.07 3.63 o -12 2 2 165.44 158.94 7.58 o -11 2 2 157.29 154.20 9.59 o -10 2 2 44.41 40.47 2.47 o -9 2 2 8.77 10.21 0.63 o -8 2 2 5.20 5.13 0.46 o -7 2 2 236.00 230.42 8.61 o -6 2 2 529.30 526.44 22.47 o -5 2 2 1297.93 1278.82 57.93 o -4 2 2 308.46 335.76 17.89 o -3 2 2 318.69 314.59 12.38 o -2 2 2 466.85 415.14 14.33 o -1 2 2 161.19 153.96 5.14 o 0 2 2 283.57 266.14 6.45 o 1 2 2 953.37 888.58 27.73 o 2 2 2 1114.65 1077.34 60.84 o 3 2 2 683.51 700.77 36.38 o 4 2 2 778.81 796.14 38.18 o 5 2 2 408.32 406.94 18.79 o 6 2 2 11.52 13.42 0.63 o 7 2 2 404.60 423.14 20.17 o 8 2 2 434.63 446.99 21.44 o 9 2 2 526.44 578.81 28.07 o 10 2 2 119.90 110.79 5.72 o 11 2 2 9.21 10.18 3.04 o -12 3 2 30.11 25.94 4.85 o -11 3 2 17.73 17.87 2.31 o -10 3 2 38.22 36.87 3.14 o -9 3 2 4.73 5.08 0.70 o -8 3 2 17.54 17.02 1.29 o -7 3 2 209.65 208.26 13.30 o -6 3 2 155.40 149.49 9.61 o -5 3 2 167.37 163.48 9.76 o -4 3 2 17.84 15.72 0.57 o -3 3 2 184.02 169.34 3.50 o -2 3 2 676.86 621.78 17.63 o -1 3 2 1110.79 1074.49 29.64 o 0 3 2 1009.17 1016.26 23.78 o 1 3 2 756.67 806.66 17.47 o 2 3 2 361.13 391.78 15.35 o 3 3 2 506.46 484.92 37.65 o 4 3 2 364.36 341.09 34.68 o 5 3 2 461.44 445.08 32.99 o 6 3 2 50.08 49.44 2.59 o 7 3 2 306.13 322.24 20.97 o 8 3 2 20.72 19.62 1.16 o 9 3 2 167.44 167.21 11.79 o 10 3 2 54.17 58.93 4.70 o 11 3 2 17.64 23.74 3.10 o -11 4 2 57.08 25.15 4.33 o -10 4 2 16.77 17.93 2.69 o -9 4 2 179.23 143.03 22.85 o -8 4 2 238.20 228.67 20.49 o -7 4 2 220.94 198.58 13.07 o -6 4 2 204.51 188.87 14.11 o -5 4 2 791.19 740.30 41.59 o -4 4 2 35.52 35.91 1.12 o -3 4 2 501.18 496.08 13.27 o -2 4 2 96.19 101.34 2.20 o -1 4 2 284.82 285.85 7.62 o 0 4 2 149.16 138.19 5.81 o 1 4 2 83.45 80.41 1.97 o 2 4 2 120.97 109.40 4.95 o 3 4 2 210.23 193.51 11.38 o 4 4 2 217.57 205.63 16.15 o 5 4 2 161.56 147.96 15.21 o 6 4 2 131.90 124.94 8.24 o 7 4 2 47.03 46.92 4.83 o 8 4 2 135.79 140.29 11.80 o 9 4 2 73.26 77.41 9.37 o 10 4 2 121.52 137.20 7.00 o -10 5 2 15.51 15.08 3.62 o -9 5 2 14.30 17.42 3.62 o -8 5 2 54.98 57.25 5.53 o -7 5 2 301.60 303.10 34.67 o -6 5 2 94.58 93.15 5.11 o -5 5 2 117.05 121.73 5.82 o -4 5 2 56.62 52.26 2.20 o -3 5 2 509.47 492.70 10.14 o -2 5 2 1122.30 1137.03 22.47 o -1 5 2 286.57 267.23 6.42 o 0 5 2 269.68 284.11 6.12 o 1 5 2 293.65 274.93 5.93 o 2 5 2 219.38 218.27 7.26 o 3 5 2 69.96 66.57 4.34 o 4 5 2 88.63 77.12 3.96 o 5 5 2 121.96 124.17 11.52 o 6 5 2 16.30 15.50 1.59 o 7 5 2 113.28 101.83 19.11 o 8 5 2 1.96 2.36 1.31 o 9 5 2 23.74 32.67 2.63 o -9 6 2 44.25 52.81 6.18 o -8 6 2 33.93 36.73 2.44 o -7 6 2 111.90 126.72 14.14 o -6 6 2 95.82 103.51 11.41 o -5 6 2 6.98 6.82 0.49 o -4 6 2 74.29 72.35 2.54 o -3 6 2 146.56 144.56 4.22 o -2 6 2 242.33 272.25 5.36 o -1 6 2 143.91 154.71 3.44 o 0 6 2 112.61 107.80 2.69 o 1 6 2 17.78 18.62 0.95 o 2 6 2 109.93 98.78 3.25 o 3 6 2 49.18 43.45 1.83 o 4 6 2 1.81 0.98 0.88 o 5 6 2 36.03 34.84 4.01 o 6 6 2 37.48 42.89 7.43 o 7 6 2 12.80 12.19 2.78 o -6 7 2 7.77 9.82 2.49 o -5 7 2 10.48 7.88 1.44 o -4 7 2 29.46 28.76 1.99 o -3 7 2 91.66 92.54 3.25 o -2 7 2 0.68 -0.21 0.74 o -1 7 2 11.30 9.95 1.09 o 0 7 2 34.53 36.29 1.52 o 1 7 2 60.21 68.93 2.25 o 2 7 2 63.81 67.87 3.47 o 3 7 2 44.35 45.28 3.50 o 4 7 2 65.24 61.60 5.23 o 5 7 2 36.00 43.41 5.01 o -3 8 2 41.15 36.17 3.43 o -2 8 2 23.26 22.34 2.45 o -1 8 2 17.10 21.46 4.15 o 0 8 2 45.57 54.32 3.44 o 1 8 2 5.85 7.84 1.92 o 2 8 2 1.71 4.20 3.09 o -13 0 3 26.90 21.83 5.86 o -12 0 3 171.92 161.41 18.53 o -11 0 3 758.91 742.51 47.82 o -10 0 3 796.20 896.96 54.23 o -9 0 3 6.79 5.50 0.85 o -8 0 3 0.92 0.68 0.66 o -7 0 3 196.34 198.55 13.15 o -6 0 3 2162.77 2276.44 128.71 o -5 0 3 7.06 6.42 0.65 o -4 0 3 0.46 1.14 0.19 o -3 0 3 469.41 429.45 18.68 o -2 0 3 586.16 609.15 32.15 o -1 0 3 72.39 66.31 2.05 o 0 0 3 55.63 55.39 4.16 o 1 0 3 5.64 2.56 0.39 o 2 0 3 2796.19 3061.83 174.16 o 3 0 3 5329.70 5958.78 352.92 o 4 0 3 117.98 137.08 6.13 o 5 0 3 0.09 -0.28 0.56 o 6 0 3 10.08 14.08 1.29 o 7 0 3 60.23 79.65 4.10 o 8 0 3 314.64 349.89 15.27 o 9 0 3 169.49 201.49 17.41 o 10 0 3 63.87 60.62 4.07 o 11 0 3 4.09 4.22 4.92 o -13 1 3 9.46 6.92 2.06 o -12 1 3 115.59 122.31 10.00 o -11 1 3 48.08 51.69 4.00 o -10 1 3 36.40 36.70 1.85 o -9 1 3 9.88 9.62 0.56 o -8 1 3 185.15 185.95 6.94 o -7 1 3 324.08 315.21 12.13 o -6 1 3 1169.69 1204.99 39.65 o -5 1 3 442.68 476.42 10.98 o -4 1 3 47.56 58.48 2.05 o -3 1 3 1729.27 1756.35 51.05 o -1 1 3 3848.61 3538.75 78.19 o 0 1 3 518.45 522.58 22.46 o 1 1 3 191.39 192.00 6.18 o 2 1 3 137.18 150.84 4.48 o 3 1 3 180.96 212.42 9.45 o 4 1 3 1648.64 1775.90 51.12 o 5 1 3 294.07 317.57 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