#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:57:41 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180870 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/02/2100228.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_2100228_Fobs loop_ _publ_author_name 'Oswald, Iain D. H.' 'Motherwell, W. D. Samuel' 'Parsons, Simon' _publ_section_title ; Formation of quinol co-crystals with hydrogen-bond acceptors ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 46 _journal_page_last 57 _journal_volume 61 _journal_year 2005 _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 90.091 _cell_angle_gamma 90.000 _cell_length_a 8.9014 _cell_length_b 7.6661 _cell_length_c 6.9836 _exptl_crystal_F_000 200.00 _reflns_d_resolution_high 0.7388 _cod_data_source_file ws50131sup2.hkl _cod_data_source_block 1 #BEGIN Tags that were not found in dictionaries: _shelx_title ' hypyra in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 74.39 _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 0 360.98 339.62 4.57 o 3 0 0 64.39 60.46 2.67 o 4 0 0 436.21 477.11 10.38 o 5 0 0 155.03 155.23 3.20 o 6 0 0 420.46 463.84 10.11 o 7 0 0 192.49 200.52 7.31 o 8 0 0 86.50 86.54 5.06 o 9 0 0 38.98 32.63 3.41 o 10 0 0 27.01 24.21 3.18 o 11 0 0 16.36 21.55 3.46 o 1 1 0 262.57 267.67 2.81 o 2 1 0 2.63 2.27 0.32 o 3 1 0 0.24 0.69 0.29 o 4 1 0 0.05 -0.02 0.38 o 5 1 0 20.27 20.71 0.67 o 6 1 0 45.55 41.05 1.62 o 7 1 0 50.75 48.89 1.82 o 8 1 0 3.72 2.91 1.08 o 9 1 0 31.86 32.86 2.47 o 10 1 0 0.33 0.82 1.23 o 11 1 0 0.03 0.90 1.61 o 0 2 0 1342.93 1442.30 20.05 o 1 2 0 10.29 10.46 0.57 o 2 2 0 1143.68 1208.81 10.72 o 3 2 0 246.72 253.59 3.74 o 4 2 0 18.38 20.20 1.04 o 5 2 0 77.44 83.94 2.32 o 6 2 0 55.97 52.02 1.66 o 7 2 0 32.81 31.23 1.40 o 8 2 0 76.01 65.58 3.07 o 9 2 0 119.73 113.04 4.42 o 10 2 0 0.12 1.24 1.10 o 11 2 0 0.15 -0.13 1.44 o 1 3 0 335.07 344.57 5.06 o 2 3 0 26.81 19.80 0.91 o 3 3 0 41.81 45.92 1.49 o 4 3 0 0.44 1.03 0.47 o 5 3 0 3.57 2.72 0.60 o 6 3 0 160.99 148.18 4.01 o 7 3 0 27.53 26.11 1.35 o 8 3 0 16.43 17.04 1.18 o 9 3 0 9.33 10.71 1.43 o 10 3 0 0.34 -0.76 1.15 o 11 3 0 3.39 11.60 2.88 o 0 4 0 48.82 48.88 2.55 o 1 4 0 23.96 28.48 2.72 o 2 4 0 959.50 1053.23 10.51 o 3 4 0 15.51 16.07 0.95 o 4 4 0 22.53 29.61 1.40 o 5 4 0 0.02 -0.14 0.52 o 6 4 0 286.02 265.88 5.07 o 7 4 0 33.12 33.74 1.57 o 8 4 0 236.65 227.41 4.42 o 9 4 0 41.64 38.72 2.16 o 10 4 0 1.24 1.54 1.35 o 1 5 0 86.85 90.88 2.79 o 2 5 0 7.43 8.08 0.82 o 3 5 0 175.76 168.36 3.49 o 4 5 0 14.68 13.42 1.04 o 5 5 0 1.40 1.39 0.73 o 6 5 0 89.53 85.14 2.89 o 7 5 0 54.44 53.39 2.03 o 8 5 0 59.30 64.59 2.36 o 9 5 0 38.68 40.03 2.19 o 10 5 0 4.03 10.64 1.92 o 0 6 0 558.79 569.57 12.74 o 1 6 0 124.54 125.11 3.65 o 2 6 0 38.11 32.41 1.69 o 3 6 0 10.80 12.91 1.32 o 4 6 0 74.16 66.97 2.42 o 5 6 0 4.99 3.65 0.91 o 6 6 0 18.93 17.82 1.21 o 7 6 0 28.18 28.83 1.59 o 8 6 0 3.20 4.08 1.08 o 9 6 0 8.43 8.54 1.45 o 1 7 0 104.31 99.23 3.50 o 2 7 0 24.88 25.92 1.59 o 3 7 0 2.07 2.83 1.28 o 4 7 0 50.85 44.25 2.11 o 5 7 0 6.98 7.71 1.27 o 6 7 0 13.99 13.41 1.34 o 7 7 0 5.34 5.11 1.08 o 8 7 0 64.60 64.03 3.78 o 0 8 0 131.84 127.76 6.23 o 1 8 0 24.06 27.16 2.04 o 2 8 0 39.55 35.48 2.23 o 3 8 0 1.98 3.38 1.57 o 4 8 0 61.36 59.26 4.37 o 5 8 0 0.60 -0.89 1.86 o 6 8 0 10.50 9.48 1.86 o 7 8 0 23.86 27.95 3.33 o 1 9 0 64.57 72.37 5.26 o 2 9 0 21.58 22.35 3.30 o 3 9 0 5.95 8.41 2.29 o 4 9 0 3.25 4.09 2.36 o 1 10 0 14.71 19.18 3.11 o 2 10 0 1.73 5.20 2.70 o -11 1 1 10.72 13.95 2.17 o -10 1 1 4.98 5.72 1.43 o -9 1 1 41.46 34.91 3.08 o -8 1 1 83.00 70.13 4.99 o -7 1 1 2.75 2.57 0.74 o -6 1 1 157.35 157.17 3.57 o -5 1 1 799.62 874.34 9.74 o -4 1 1 165.82 186.29 3.32 o -3 1 1 153.45 153.10 2.66 o -2 1 1 1207.48 1207.65 8.94 o -1 1 1 1601.30 1606.63 10.07 o 0 1 1 273.80 296.89 3.14 o 1 1 1 5533.54 5224.47 47.59 o 2 1 1 2.32 3.42 0.29 o 3 1 1 356.34 352.95 3.47 o 4 1 1 368.45 378.62 3.90 o 5 1 1 333.39 364.51 4.04 o 6 1 1 45.65 46.42 1.71 o 7 1 1 57.73 60.01 2.12 o 8 1 1 56.54 52.79 2.83 o 9 1 1 46.87 40.23 2.66 o 10 1 1 0.57 0.68 1.14 o 11 1 1 6.16 6.88 1.77 o -11 2 1 16.43 20.10 2.56 o -10 2 1 11.19 11.50 2.07 o -9 2 1 1.22 0.92 0.99 o -8 2 1 1.77 2.19 0.83 o -7 2 1 32.41 29.44 2.25 o -6 2 1 12.98 13.20 1.10 o -5 2 1 34.60 31.53 1.45 o -4 2 1 141.94 147.65 2.99 o -3 2 1 5.76 7.97 1.07 o -2 2 1 159.58 151.34 1.95 o -1 2 1 11.06 14.03 0.58 o 0 2 1 84.60 96.44 1.37 o 1 2 1 892.37 884.06 6.10 o 2 2 1 932.07 1024.18 7.12 o 3 2 1 17.08 13.62 0.60 o 4 2 1 0.30 0.66 0.26 o 5 2 1 1.02 0.79 0.26 o 6 2 1 304.07 297.44 6.01 o 7 2 1 77.67 78.00 2.52 o 8 2 1 107.67 99.40 3.01 o 9 2 1 0.12 1.33 1.17 o 10 2 1 31.80 32.96 2.55 o 11 2 1 0.00 4.35 2.61 o -10 3 1 39.60 43.73 2.97 o -9 3 1 76.31 69.86 4.08 o -8 3 1 114.66 102.02 3.38 o -7 3 1 548.49 525.44 7.91 o -6 3 1 200.58 187.94 4.12 o -5 3 1 1.81 3.58 0.68 o -4 3 1 118.88 107.88 2.61 o -3 3 1 194.82 213.66 2.71 o -2 3 1 0.05 0.97 0.28 o -1 3 1 1326.89 1454.29 12.40 o 0 3 1 284.53 307.02 3.75 o 1 3 1 213.57 233.09 3.24 o 2 3 1 1.01 0.71 0.29 o 3 3 1 477.61 499.94 5.14 o 4 3 1 9.91 7.54 0.49 o 5 3 1 55.78 51.25 1.58 o 6 3 1 202.17 186.16 3.38 o 7 3 1 600.57 569.71 6.97 o 8 3 1 4.56 6.09 0.84 o 9 3 1 2.66 2.76 1.33 o 10 3 1 10.73 12.25 1.73 o 11 3 1 15.60 16.23 3.03 o -10 4 1 6.16 8.61 1.51 o -9 4 1 4.89 6.25 1.03 o -8 4 1 66.68 59.75 2.60 o -7 4 1 16.01 16.38 1.37 o -6 4 1 36.20 34.67 1.81 o -5 4 1 96.62 94.85 2.81 o -4 4 1 0.27 1.08 0.57 o -3 4 1 3.83 4.58 0.57 o -2 4 1 208.25 215.95 3.04 o -1 4 1 84.75 87.35 3.40 o 0 4 1 289.23 299.03 4.12 o 1 4 1 159.47 187.87 3.19 o 2 4 1 20.57 19.25 1.03 o 3 4 1 76.67 69.07 1.70 o 4 4 1 2.58 2.58 0.44 o 5 4 1 2.96 1.96 0.61 o 6 4 1 4.22 4.19 0.66 o 7 4 1 62.79 56.42 2.00 o 8 4 1 49.07 47.59 1.90 o 9 4 1 14.60 16.85 1.40 o 10 4 1 0.51 1.86 2.76 o -10 5 1 1.20 1.70 1.37 o -9 5 1 2.55 2.74 0.98 o -8 5 1 0.04 0.28 0.93 o -7 5 1 82.34 86.18 3.10 o -6 5 1 158.84 149.94 3.97 o -5 5 1 0.42 0.00 0.69 o -4 5 1 11.19 12.44 1.12 o -3 5 1 1.82 3.03 0.68 o -2 5 1 123.81 125.54 2.45 o -1 5 1 2.75 2.07 1.12 o 0 5 1 39.87 38.90 1.50 o 1 5 1 8.72 5.53 0.75 o 2 5 1 25.30 22.19 1.01 o 3 5 1 149.69 155.61 2.88 o 4 5 1 0.89 1.53 0.48 o 5 5 1 23.59 19.87 1.13 o 6 5 1 6.95 8.05 0.81 o 7 5 1 59.54 53.18 2.87 o 8 5 1 8.28 10.54 1.16 o 9 5 1 0.73 1.65 0.98 o -9 6 1 8.45 9.41 1.36 o -8 6 1 45.28 46.20 2.50 o -7 6 1 20.90 22.70 1.67 o -6 6 1 26.19 27.40 1.76 o -5 6 1 37.91 42.11 2.08 o -4 6 1 2.23 2.35 0.78 o -3 6 1 14.10 11.62 1.15 o -2 6 1 26.69 25.38 1.20 o -1 6 1 167.74 163.20 3.41 o 0 6 1 301.86 296.27 5.98 o 1 6 1 33.87 31.86 1.58 o 2 6 1 0.07 0.38 0.55 o 3 6 1 35.79 36.76 1.46 o 4 6 1 0.30 2.83 0.82 o 5 6 1 26.97 25.89 1.86 o 6 6 1 5.51 6.32 1.08 o 7 6 1 0.14 -0.88 0.88 o 8 6 1 132.83 135.61 5.30 o 9 6 1 58.00 60.42 3.72 o -8 7 1 0.01 0.99 1.01 o -7 7 1 65.13 72.50 3.09 o -6 7 1 2.22 1.89 1.42 o -5 7 1 47.97 46.98 2.27 o -4 7 1 4.34 5.25 1.00 o -3 7 1 3.76 5.15 1.02 o -2 7 1 54.05 51.45 3.32 o -1 7 1 438.17 406.75 7.89 o 0 7 1 18.21 20.55 2.06 o 1 7 1 191.18 194.87 5.41 o 2 7 1 8.37 9.30 1.34 o 3 7 1 21.81 17.00 1.66 o 4 7 1 0.02 1.22 0.96 o 5 7 1 110.82 92.40 4.06 o 6 7 1 4.40 5.27 1.22 o 7 7 1 6.45 7.90 3.33 o 8 7 1 3.89 2.31 1.66 o -7 8 1 15.03 18.10 3.37 o -6 8 1 7.38 6.27 2.40 o -5 8 1 9.57 12.30 1.71 o -4 8 1 26.45 27.11 2.38 o -3 8 1 24.45 26.03 2.34 o -2 8 1 0.83 1.51 2.02 o -1 8 1 75.45 73.84 4.92 o 0 8 1 46.35 46.61 2.90 o 1 8 1 58.19 61.24 3.47 o 2 8 1 75.23 71.99 3.48 o 3 8 1 1.39 1.67 1.09 o 4 8 1 9.14 8.26 1.41 o 5 8 1 9.02 7.68 1.58 o 6 8 1 28.94 38.69 3.86 o 7 8 1 3.43 -0.81 2.21 o -3 9 1 76.73 87.65 5.39 o -2 9 1 8.99 8.09 2.02 o -1 9 1 0.88 0.83 2.05 o 0 9 1 20.54 22.12 4.42 o 1 9 1 3.45 8.05 1.80 o 2 9 1 97.24 106.11 4.57 o 3 9 1 0.41 1.06 1.86 o 4 9 1 0.02 1.20 1.89 o 5 9 1 13.04 14.55 2.91 o 1 10 1 40.62 44.44 4.75 o 2 10 1 39.58 40.85 4.92 o -11 0 2 6.33 8.58 2.30 o -10 0 2 4.08 2.91 1.71 o -9 0 2 9.48 13.58 2.18 o -8 0 2 343.62 289.40 9.85 o -7 0 2 3.29 6.91 1.43 o -6 0 2 2.26 2.41 0.75 o -5 0 2 2.59 3.86 0.78 o -4 0 2 378.18 406.56 6.80 o -3 0 2 946.59 1031.02 9.79 o -2 0 2 3165.63 3407.40 27.26 o -1 0 2 5427.82 5368.61 41.53 o 0 0 2 2329.23 2322.82 32.32 o 1 0 2 1543.67 1526.72 15.20 o 2 0 2 18.95 18.74 0.92 o 3 0 2 1.97 1.78 0.42 o 4 0 2 224.02 258.57 5.31 o 5 0 2 202.34 217.65 4.39 o 6 0 2 187.13 178.64 14.55 o 7 0 2 68.65 70.62 4.35 o 8 0 2 104.66 112.60 5.85 o 9 0 2 83.40 84.62 5.37 o 10 0 2 36.91 36.35 3.71 o 11 0 2 0.43 5.04 2.35 o -11 1 2 7.03 9.37 1.78 o -10 1 2 5.68 4.98 3.11 o -9 1 2 8.70 7.82 1.17 o -8 1 2 5.66 4.53 0.83 o -7 1 2 23.05 20.73 1.39 o -6 1 2 23.22 19.84 1.36 o -5 1 2 15.83 13.00 0.99 o -4 1 2 57.90 60.76 1.38 o -3 1 2 127.77 133.19 1.70 o -2 1 2 8.36 7.60 0.41 o -1 1 2 222.78 236.58 2.09 o 0 1 2 123.05 119.62 1.57 o 1 1 2 779.53 818.49 6.36 o 2 1 2 651.17 668.96 5.62 o 3 1 2 99.27 101.69 1.73 o 4 1 2 3.11 4.45 0.42 o 5 1 2 20.48 22.43 0.91 o 6 1 2 3.13 3.99 0.71 o 7 1 2 178.21 176.09 3.82 o 8 1 2 7.69 10.06 1.46 o 9 1 2 25.15 25.98 5.52 o 10 1 2 2.33 3.73 1.34 o 11 1 2 0.08 0.72 1.70 o -11 2 2 28.79 37.01 4.24 o -10 2 2 21.71 19.89 2.06 o -9 2 2 31.95 30.74 1.92 o -8 2 2 2.38 1.36 0.72 o -7 2 2 0.00 -0.48 0.64 o -6 2 2 127.57 120.50 3.19 o -5 2 2 106.94 86.97 5.98 o -4 2 2 477.47 497.17 8.62 o -3 2 2 2.93 2.16 0.45 o -2 2 2 4.22 6.58 0.39 o -1 2 2 531.25 562.11 5.05 o 0 2 2 33.68 34.88 1.20 o 1 2 2 2034.17 2090.79 17.40 o 2 2 2 12.48 14.90 0.96 o 3 2 2 67.66 75.72 1.52 o 4 2 2 7.33 7.62 0.73 o 5 2 2 40.46 41.03 1.25 o 6 2 2 4.35 4.70 0.73 o 7 2 2 30.82 30.80 1.62 o 8 2 2 174.69 171.38 4.08 o 9 2 2 5.62 3.86 1.52 o 10 2 2 58.09 64.32 3.47 o 11 2 2 0.36 4.65 2.29 o -10 3 2 10.28 13.41 1.64 o -9 3 2 2.48 0.84 0.92 o -8 3 2 5.74 6.17 1.14 o -7 3 2 117.53 117.04 3.47 o -6 3 2 16.76 15.92 1.30 o -5 3 2 9.64 10.24 1.01 o -4 3 2 0.56 1.20 0.57 o -3 3 2 41.18 35.14 1.05 o -2 3 2 135.73 142.50 2.22 o -1 3 2 112.52 119.76 2.38 o 0 3 2 36.21 31.01 1.82 o 1 3 2 180.45 179.16 1.99 o 2 3 2 456.15 497.00 4.47 o 3 3 2 92.06 106.65 3.67 o 4 3 2 10.59 9.69 0.55 o 5 3 2 1.11 1.74 0.44 o 6 3 2 4.85 5.47 0.78 o 7 3 2 174.78 174.02 4.03 o 8 3 2 12.16 13.41 1.26 o 9 3 2 0.12 -0.70 1.12 o 10 3 2 1.58 4.55 2.18 o 11 3 2 2.53 1.13 3.63 o -10 4 2 11.31 8.83 1.56 o -9 4 2 54.34 63.37 2.95 o -8 4 2 44.42 41.27 2.24 o -7 4 2 19.52 20.18 2.39 o -6 4 2 197.25 181.23 4.27 o -5 4 2 258.92 256.89 4.90 o -4 4 2 79.94 86.46 2.56 o -3 4 2 63.94 57.36 1.50 o -2 4 2 58.76 66.36 1.60 o -1 4 2 34.39 37.35 1.25 o 0 4 2 132.78 147.57 3.70 o 1 4 2 384.39 408.85 4.28 o 2 4 2 64.68 76.38 1.43 o 3 4 2 37.94 33.41 1.57 o 4 4 2 6.87 7.13 0.51 o 5 4 2 114.01 105.11 3.76 o 6 4 2 31.70 31.60 2.46 o 7 4 2 84.50 86.04 3.01 o 8 4 2 52.80 52.63 2.56 o 9 4 2 1.40 2.10 1.25 o 10 4 2 54.57 63.43 5.63 o -10 5 2 1.06 -1.88 1.88 o -9 5 2 1.55 1.85 1.45 o -8 5 2 6.24 6.51 1.20 o -7 5 2 46.90 43.91 3.31 o -6 5 2 13.14 15.08 1.37 o -5 5 2 270.14 261.64 5.24 o -4 5 2 5.46 4.65 0.82 o -3 5 2 0.63 1.46 0.64 o -2 5 2 11.74 13.27 0.87 o -1 5 2 41.25 42.02 1.50 o 0 5 2 242.49 243.59 3.96 o 1 5 2 240.79 226.06 5.32 o 2 5 2 43.09 43.54 2.32 o 3 5 2 21.70 22.97 1.77 o 4 5 2 99.96 98.33 3.72 o 5 5 2 77.26 64.55 3.52 o 6 5 2 0.10 1.18 1.03 o 7 5 2 6.23 8.58 1.29 o 8 5 2 5.87 5.63 1.20 o 9 5 2 104.07 114.79 4.91 o -9 6 2 0.05 1.82 2.62 o -8 6 2 36.02 37.10 2.96 o -7 6 2 13.21 14.45 2.55 o -6 6 2 2.92 3.84 1.39 o -5 6 2 22.41 22.86 2.19 o -4 6 2 20.56 22.69 2.06 o -3 6 2 76.35 74.79 3.54 o -2 6 2 240.79 230.98 4.61 o -1 6 2 171.11 162.82 21.82 o 0 6 2 218.15 203.10 5.29 o 1 6 2 4.74 4.18 1.00 o 2 6 2 4.11 3.83 1.09 o 3 6 2 2.15 0.96 0.96 o 4 6 2 136.36 113.67 7.25 o 5 6 2 6.83 5.61 1.11 o 6 6 2 50.97 43.76 3.77 o 7 6 2 9.29 12.68 2.50 o 8 6 2 0.16 3.77 1.39 o 9 6 2 25.57 25.07 3.54 o -8 7 2 2.55 5.86 3.37 o -7 7 2 15.90 23.88 4.51 o -6 7 2 1.43 -0.78 2.56 o -5 7 2 99.68 100.02 4.53 o -4 7 2 0.36 2.03 1.31 o -3 7 2 6.09 7.35 1.46 o -2 7 2 0.44 0.67 1.20 o -1 7 2 31.88 35.31 2.31 o 0 7 2 181.01 179.80 5.48 o 1 7 2 47.70 44.66 2.62 o 2 7 2 36.30 36.43 2.45 o 3 7 2 0.46 0.24 1.54 o 4 7 2 11.51 11.82 1.55 o 5 7 2 6.24 6.28 1.20 o 6 7 2 3.38 1.41 1.14 o 7 7 2 22.67 26.34 2.42 o -7 8 2 1.65 1.87 4.12 o -6 8 2 55.96 57.69 3.76 o -5 8 2 0.08 0.07 1.43 o -4 8 2 7.24 9.08 1.62 o -3 8 2 33.19 36.53 2.77 o -2 8 2 1.37 1.58 1.26 o -1 8 2 0.86 4.34 2.09 o 0 8 2 29.48 30.69 2.55 o 1 8 2 8.57 10.99 2.40 o 2 8 2 1.79 3.78 1.16 o 3 8 2 36.41 38.96 3.30 o 4 8 2 11.85 10.22 1.68 o 5 8 2 4.78 4.99 1.90 o 6 8 2 12.09 17.77 2.92 o -5 9 2 1.65 1.52 4.27 o -4 9 2 0.37 2.65 1.64 o -3 9 2 8.80 8.61 2.86 o -2 9 2 0.27 -0.19 1.42 o -1 9 2 0.03 0.00 2.02 o 0 9 2 5.23 6.28 2.54 o 1 9 2 24.58 26.72 3.45 o 2 9 2 84.42 91.26 6.07 o 3 9 2 34.11 40.30 4.39 o 4 9 2 0.60 5.04 1.85 o -1 10 2 4.53 3.06 3.36 o 0 10 2 25.00 22.79 5.21 o 1 10 2 0.20 1.32 3.04 o -10 1 3 0.82 -0.42 1.20 o -9 1 3 0.05 0.47 1.09 o -8 1 3 0.06 -0.01 1.05 o -7 1 3 181.92 165.26 4.14 o -6 1 3 140.35 143.81 3.51 o -5 1 3 145.33 133.19 2.67 o -4 1 3 345.20 372.29 3.68 o -3 1 3 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