#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:09:00 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180970 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/50/2205087.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_2205087_Fobs loop_ _publ_author_name 'Battle, Andrew R.' 'Johnson, Daniel L.' 'Martin, Lisandra L.' _publ_section_title ; 1,4,7-Triazacyclononane hemihydrate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o330 _journal_page_last o332 _journal_volume 61 _journal_year 2005 _space_group_IT_number 165 _symmetry_space_group_name_Hall '-P 3 2"c' _symmetry_space_group_name_H-M 'P -3 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 7.2980 _cell_length_b 7.2980 _cell_length_c 16.5597 _exptl_crystal_F_000 308.00 _reflns_d_resolution_high 0.7603 _cod_data_source_file is6022Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' arblm01a in P-3c1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 63.69 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' 'y, x, -z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-x+y, y, z-1/2' 'x, x-y, z-1/2' '-y, -x, 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 -1 2 0 1740.26 1339.39 11.75 o 0 2 0 1399.29 1413.03 12.54 o -1 3 0 741.38 791.19 5.11 o 0 3 0 144.75 149.07 1.53 o -2 4 0 746.51 766.47 7.00 o -1 4 0 124.86 125.88 0.95 o 0 4 0 230.41 278.42 2.72 o -2 5 0 260.03 256.00 1.83 o -1 5 0 118.30 115.45 1.03 o 0 5 0 50.12 51.69 0.84 o -3 6 0 131.64 131.21 1.39 o -2 6 0 954.59 964.52 8.92 o -1 6 0 7.75 7.11 0.39 o 0 6 0 0.51 0.28 0.49 o -3 7 0 58.46 56.91 1.11 o -2 7 0 15.46 13.54 0.53 o -1 7 0 87.33 90.21 1.51 o 0 7 0 216.80 220.56 5.76 o -4 8 0 48.06 42.24 1.75 o -3 8 0 0.30 1.32 0.82 o -2 8 0 10.97 11.67 0.96 o -1 8 0 5.63 5.50 1.49 o 0 8 0 122.65 113.06 8.24 o -4 9 0 0.84 1.26 1.03 o -3 9 0 24.96 22.56 1.22 o -2 9 0 14.41 22.30 2.80 o -1 2 1 43.00 40.95 0.37 o -1 3 1 198.44 211.26 1.47 o -3 4 1 52.73 49.78 0.45 o -2 4 1 2.08 3.22 0.14 o -1 4 1 25.63 24.14 0.30 o -4 5 1 82.82 79.04 0.69 o -3 5 1 0.20 0.80 0.24 o -2 5 1 32.85 35.45 0.42 o -1 5 1 14.70 16.27 0.30 o -5 6 1 3.70 4.45 0.29 o -4 6 1 31.27 27.71 0.55 o -3 6 1 21.30 22.87 0.44 o -2 6 1 44.08 43.22 0.50 o -1 6 1 50.19 43.26 0.55 o -6 7 1 0.83 0.91 0.57 o -5 7 1 24.11 23.28 0.66 o -4 7 1 5.69 6.41 0.40 o -3 7 1 1.13 1.37 0.34 o -2 7 1 8.36 7.27 0.42 o -1 7 1 7.99 6.45 0.51 o -7 8 1 27.65 34.06 2.17 o -6 8 1 7.85 6.07 1.04 o -5 8 1 4.75 4.01 0.90 o -4 8 1 2.96 2.05 0.84 o -3 8 1 12.26 12.05 1.08 o -2 8 1 1.09 0.71 0.89 o -1 8 1 0.01 -1.28 1.35 o -7 9 1 0.07 -1.72 1.72 o -6 9 1 1.82 2.36 1.31 o -5 9 1 0.03 0.23 1.04 o -4 9 1 11.66 12.36 1.24 o -3 9 1 4.73 5.22 1.32 o -2 9 1 7.23 5.03 3.03 o -1 1 2 1229.71 1100.00 31.34 o 0 1 2 3350.51 2157.51 81.17 o -2 2 2 1715.90 1583.67 14.55 o -1 2 2 41.19 81.15 0.69 o 0 2 2 4056.42 3985.64 61.83 o -3 3 2 1260.33 1330.41 11.88 o -2 3 2 283.56 322.16 2.45 o 0 3 2 982.64 1034.26 8.96 o -4 4 2 257.67 258.33 2.56 o -3 4 2 90.41 77.16 0.67 o -2 4 2 71.65 71.27 0.66 o -1 4 2 15.07 13.11 0.23 o 0 4 2 505.72 567.94 5.14 o -5 5 2 47.84 41.73 0.74 o -4 5 2 80.36 73.28 0.69 o -3 5 2 5.29 6.33 0.28 o -2 5 2 8.24 8.33 0.30 o -1 5 2 200.73 193.25 1.42 o 0 5 2 13.29 12.88 0.49 o -6 6 2 275.51 242.40 3.90 o -5 6 2 10.28 12.57 0.36 o -4 6 2 85.24 80.68 0.95 o -3 6 2 2.27 2.53 0.32 o -2 6 2 3.37 3.74 0.34 o -1 6 2 12.38 11.63 0.45 o 0 6 2 233.68 212.91 3.66 o -7 7 2 8.08 9.29 1.25 o -6 7 2 90.17 93.37 1.89 o -5 7 2 73.30 63.48 1.13 o -4 7 2 89.84 94.25 1.25 o -3 7 2 88.98 92.50 1.80 o -2 7 2 65.42 59.10 1.04 o -1 7 2 60.88 60.81 1.06 o 0 7 2 9.51 4.28 1.40 o -8 8 2 1.01 -2.62 2.62 o -7 8 2 3.88 4.68 1.01 o -6 8 2 20.95 27.16 1.10 o -5 8 2 48.93 47.40 1.34 o -4 8 2 0.87 2.23 0.91 o -3 8 2 21.87 24.24 1.10 o -2 8 2 37.86 43.41 1.33 o -1 8 2 7.28 7.68 1.51 o 0 8 2 3.85 -2.75 2.75 o -7 9 2 33.87 31.73 1.87 o -6 9 2 2.40 0.68 1.19 o -5 9 2 0.06 0.97 1.09 o -4 9 2 1.37 3.29 1.11 o -3 9 2 1.01 2.33 1.28 o -2 9 2 57.24 66.79 4.04 o -1 2 3 527.38 499.63 3.23 o -2 3 3 207.80 225.53 1.72 o -1 3 3 830.33 850.06 5.30 o -3 4 3 12.30 18.43 0.33 o -2 4 3 109.78 123.94 1.01 o -1 4 3 161.60 171.45 1.26 o -4 5 3 238.05 214.27 1.58 o -3 5 3 17.68 16.96 0.39 o -2 5 3 111.07 104.14 0.94 o -1 5 3 2.07 2.99 0.22 o -5 6 3 118.43 106.76 1.14 o -4 6 3 3.63 4.47 0.39 o -3 6 3 1.17 2.80 0.36 o -2 6 3 60.91 58.98 0.83 o -1 6 3 113.46 112.25 1.09 o -6 7 3 0.66 1.04 0.61 o -5 7 3 1.01 1.29 0.52 o -4 7 3 0.67 1.17 0.53 o -3 7 3 15.55 17.29 0.65 o -2 7 3 42.69 39.64 1.06 o -1 7 3 1.51 1.42 0.59 o -7 8 3 1.09 -0.28 1.15 o -6 8 3 13.68 11.14 1.00 o -5 8 3 0.17 0.64 0.80 o -4 8 3 34.55 33.38 1.16 o -3 8 3 69.13 76.41 1.63 o -2 8 3 17.46 17.45 1.08 o -1 8 3 19.19 19.52 1.55 o -7 9 3 9.10 10.32 1.89 o -6 9 3 0.24 2.02 1.33 o -5 9 3 38.88 38.55 1.41 o -4 9 3 0.04 -1.04 1.15 o -3 9 3 2.00 2.55 1.23 o -2 9 3 5.41 -0.65 1.90 o -1 1 4 870.57 775.23 6.82 o 0 1 4 1984.93 2172.85 18.98 o -2 2 4 1010.79 913.13 8.24 o -1 2 4 1833.96 1952.79 11.87 o 0 2 4 74.63 79.93 0.89 o -3 3 4 529.20 585.76 5.70 o -2 3 4 0.41 0.50 0.11 o -1 3 4 4.19 4.26 0.17 o 0 3 4 44.67 41.87 0.66 o -4 4 4 109.73 110.08 1.25 o -3 4 4 240.10 230.59 1.78 o -2 4 4 320.17 319.27 2.38 o -1 4 4 242.01 267.30 1.85 o 0 4 4 35.80 32.82 0.55 o -5 5 4 140.47 120.73 1.56 o -4 5 4 19.64 21.32 0.41 o -3 5 4 174.25 190.58 1.59 o -2 5 4 280.35 288.17 2.18 o -1 5 4 1.20 1.31 0.21 o 0 5 4 20.59 22.05 0.62 o -6 6 4 5.38 5.08 0.56 o -5 6 4 19.50 20.50 0.54 o -4 6 4 465.23 476.84 4.64 o -3 6 4 155.73 149.75 1.56 o -2 6 4 627.47 610.40 4.94 o -1 6 4 10.06 11.03 0.34 o 0 6 4 10.04 8.61 0.64 o -7 7 4 71.08 72.96 4.60 o -6 7 4 36.77 32.89 0.91 o -5 7 4 8.51 10.83 0.60 o -4 7 4 96.95 85.37 1.64 o -3 7 4 15.46 14.63 0.66 o -2 7 4 24.98 22.67 0.75 o -1 7 4 99.54 95.10 1.72 o 0 7 4 76.56 80.14 2.36 o -8 8 4 138.35 150.71 10.09 o -7 8 4 24.65 21.51 1.29 o -6 8 4 27.57 32.90 1.71 o -5 8 4 2.35 3.84 0.94 o -4 8 4 56.73 62.28 1.51 o -3 8 4 4.04 3.09 0.92 o -2 8 4 8.32 9.90 1.06 o -1 8 4 0.00 -1.43 1.43 o 0 8 4 51.20 56.65 3.79 o -6 9 4 12.44 19.07 1.45 o -5 9 4 4.50 4.62 1.12 o -4 9 4 0.02 0.11 1.09 o -3 9 4 1.54 0.03 1.17 o -1 2 5 929.28 934.52 5.83 o -2 3 5 438.96 466.56 3.04 o -1 3 5 490.38 501.17 3.26 o -3 4 5 394.66 422.56 2.85 o -2 4 5 37.53 49.33 0.58 o -1 4 5 277.41 278.83 1.90 o -4 5 5 40.34 37.17 0.58 o -3 5 5 193.39 189.29 1.58 o -2 5 5 231.61 236.79 1.89 o -1 5 5 297.69 288.16 2.11 o -5 6 5 24.88 24.99 0.59 o -4 6 5 146.43 134.98 1.73 o -3 6 5 55.77 47.45 0.75 o -2 6 5 30.22 29.02 0.65 o -1 6 5 0.02 0.34 0.28 o -6 7 5 2.08 3.69 0.63 o -5 7 5 10.61 11.63 0.86 o -4 7 5 50.36 52.73 1.09 o -3 7 5 1.88 2.73 0.60 o -2 7 5 25.85 25.45 0.88 o -1 7 5 20.23 19.77 0.89 o -7 8 5 20.86 26.04 1.45 o -6 8 5 2.96 2.76 1.24 o -5 8 5 71.68 69.12 1.49 o -4 8 5 20.47 23.26 1.16 o -3 8 5 9.54 12.61 1.09 o -2 8 5 29.82 28.47 1.25 o -1 8 5 4.26 3.48 1.34 o -6 9 5 3.46 3.25 1.93 o -5 9 5 0.36 -0.26 1.23 o -4 9 5 0.21 0.42 1.22 o -3 9 5 11.76 9.91 1.32 o 0 0 6 275.06 273.15 5.18 o -1 1 6 718.56 689.97 6.26 o 0 1 6 66.56 110.09 1.14 o -2 2 6 207.02 257.84 2.52 o -1 2 6 127.55 126.01 0.92 o 0 2 6 68.79 71.55 0.87 o -3 3 6 71.35 81.14 0.96 o -2 3 6 27.95 35.70 0.38 o 0 3 6 323.32 314.67 2.93 o -4 4 6 33.80 37.87 0.74 o -3 4 6 4.68 4.24 0.24 o -2 4 6 15.25 13.98 0.25 o -1 4 6 156.24 190.80 1.40 o 0 4 6 78.89 86.22 1.08 o -5 5 6 0.01 0.70 0.38 o -4 5 6 25.25 25.93 0.52 o -3 5 6 20.33 25.22 0.47 o -2 5 6 52.79 38.89 0.60 o -1 5 6 9.19 8.42 0.31 o 0 5 6 0.20 1.15 0.41 o -6 6 6 85.30 73.48 2.09 o -5 6 6 6.83 3.31 0.45 o -4 6 6 24.08 19.73 0.61 o -3 6 6 0.20 0.88 0.45 o -2 6 6 10.80 10.78 0.52 o -1 6 6 29.24 30.21 0.74 o 0 6 6 38.41 28.06 1.31 o -7 7 6 19.66 22.29 1.88 o -6 7 6 29.16 27.84 1.00 o -5 7 6 23.28 22.14 1.03 o -4 7 6 2.85 4.65 0.66 o -3 7 6 21.36 19.33 0.82 o -2 7 6 1.63 2.15 0.67 o -1 7 6 0.69 2.20 0.73 o 0 7 6 21.15 20.05 1.58 o -7 8 6 3.33 3.89 1.27 o -6 8 6 0.13 -0.99 0.99 o -5 8 6 16.36 17.75 1.13 o -4 8 6 4.40 1.98 0.92 o -3 8 6 1.76 2.00 1.06 o -2 8 6 15.79 19.15 1.20 o -1 8 6 2.02 3.76 1.56 o -6 9 6 7.28 7.12 1.53 o -5 9 6 2.64 2.86 1.09 o -4 9 6 1.19 1.87 1.42 o -3 9 6 1.05 2.74 1.93 o -1 2 7 300.16 320.28 2.17 o -2 3 7 538.25 598.86 3.92 o -1 3 7 1185.90 1276.79 7.75 o -3 4 7 1.58 1.01 0.20 o -2 4 7 44.68 42.77 0.48 o -1 4 7 188.06 199.37 1.46 o -4 5 7 535.99 525.92 3.94 o -3 5 7 11.16 8.94 0.41 o -2 5 7 113.63 109.06 1.13 o -1 5 7 69.96 59.31 0.67 o -5 6 7 51.02 44.79 0.87 o -4 6 7 24.84 25.90 0.66 o -3 6 7 0.22 1.25 0.49 o -2 6 7 145.46 140.48 2.20 o -1 6 7 106.62 109.60 1.92 o -6 7 7 1.71 1.12 0.76 o -5 7 7 27.69 25.31 0.85 o -4 7 7 0.02 1.37 0.67 o -3 7 7 64.78 71.96 1.64 o -2 7 7 40.15 38.36 1.04 o -1 7 7 0.05 0.91 0.72 o -7 8 7 0.01 0.99 1.37 o -6 8 7 22.00 21.10 1.52 o -5 8 7 15.01 15.44 1.00 o -4 8 7 17.70 18.52 1.05 o -3 8 7 212.99 232.49 3.32 o -2 8 7 4.90 5.51 1.21 o -1 8 7 13.98 17.09 3.47 o -5 9 7 37.45 37.77 1.63 o -4 9 7 0.52 1.58 1.41 o 0 0 8 629.09 590.97 10.06 o -1 1 8 61.43 69.92 0.87 o 0 1 8 60.48 50.52 0.68 o -2 2 8 1196.83 1298.24 11.37 o -1 2 8 7.54 12.97 0.30 o 0 2 8 617.41 675.53 6.22 o -3 3 8 33.34 33.07 0.60 o -2 3 8 36.43 36.43 0.43 o -1 3 8 2.80 1.90 0.21 o 0 3 8 93.27 92.11 1.13 o -4 4 8 206.35 178.44 2.06 o -3 4 8 0.29 1.30 0.24 o -2 4 8 392.19 411.40 2.80 o -1 4 8 46.45 40.04 0.54 o 0 4 8 217.16 206.05 2.50 o -5 5 8 47.17 40.69 1.09 o -4 5 8 6.45 4.99 0.29 o -3 5 8 2.16 2.00 0.42 o -2 5 8 28.97 28.28 0.45 o -1 5 8 26.22 22.79 0.50 o 0 5 8 0.01 1.28 0.52 o -6 6 8 116.89 122.24 3.54 o -5 6 8 4.83 6.63 0.56 o -4 6 8 127.95 131.97 2.05 o -3 6 8 37.79 33.52 1.00 o -2 6 8 231.38 220.41 2.61 o -1 6 8 3.33 4.05 0.53 o 0 6 8 54.92 51.01 1.70 o -7 7 8 5.47 8.89 1.59 o -6 7 8 3.57 3.95 0.84 o -5 7 8 0.31 3.28 0.70 o -4 7 8 21.87 21.18 0.87 o -3 7 8 1.06 2.08 0.68 o -2 7 8 3.30 3.49 0.73 o -1 7 8 15.13 17.53 1.02 o 0 7 8 3.84 5.64 1.50 o -7 8 8 23.81 25.67 2.10 o -6 8 8 44.31 43.89 1.49 o -5 8 8 10.33 13.72 1.03 o -4 8 8 84.95 81.82 1.68 o -3 8 8 28.33 32.25 1.66 o -2 8 8 36.39 33.65 1.76 o -1 8 8 0.43 2.34 1.51 o -1 2 9 580.95 627.79 4.09 o -2 3 9 211.83 220.15 1.59 o -1 3 9 19.53 19.28 0.35 o -3 4 9 350.21 353.63 2.52 o -2 4 9 63.92 57.84 0.64 o -1 4 9 237.25 241.67 1.91 o -4 5 9 4.10 5.22 0.32 o -3 5 9 322.95 331.67 2.67 o -2 5 9 203.02 190.59 1.65 o -1 5 9 168.59 178.31 2.33 o -5 6 9 29.80 27.88 0.76 o -4 6 9 48.05 49.50 1.09 o -3 6 9 46.44 47.77 1.02 o -2 6 9 0.19 0.30 0.56 o -1 6 9 19.85 18.61 0.72 o -6 7 9 13.42 15.35 1.01 o -5 7 9 0.71 1.36 0.79 o -4 7 9 44.96 42.78 1.06 o -3 7 9 14.47 15.25 0.82 o -2 7 9 25.67 25.34 1.20 o -1 7 9 7.70 8.81 1.56 o -7 8 9 4.79 5.06 3.24 o -6 8 9 23.04 24.41 1.36 o -5 8 9 52.81 52.58 1.46 o -4 8 9 47.74 47.84 1.91 o -3 8 9 0.00 0.55 1.01 o -2 8 9 25.43 22.72 1.53 o -1 8 9 15.35 14.39 1.83 o 0 0 10 120.25 110.42 2.29 o -1 1 10 43.82 48.77 0.75 o 0 1 10 37.85 36.55 0.62 o -2 2 10 413.04 408.91 3.99 o -1 2 10 26.59 21.83 0.44 o 0 2 10 6.62 8.50 0.39 o -3 3 10 179.24 190.53 2.11 o -2 3 10 8.60 12.92 0.36 o -1 3 10 14.35 11.09 0.34 o 0 3 10 33.34 35.17 0.71 o -4 4 10 159.20 144.58 2.02 o -3 4 10 2.15 1.35 0.35 o -2 4 10 81.16 85.19 1.08 o -1 4 10 6.17 6.30 0.39 o 0 4 10 49.29 47.30 1.04 o -5 5 10 1.96 0.51 0.63 o -4 5 10 4.70 5.43 0.37 o -3 5 10 0.48 0.75 0.31 o -2 5 10 0.79 1.21 0.36 o -1 5 10 21.24 18.76 0.52 o 0 5 10 28.73 30.61 1.24 o -6 6 10 11.02 8.79 1.21 o -5 6 10 19.84 19.29 0.83 o -4 6 10 1.16 -0.36 0.64 o -3 6 10 4.14 3.60 0.67 o -2 6 10 29.19 29.65 0.89 o -1 6 10 9.18 13.93 0.86 o 0 6 10 70.46 72.38 2.36 o -7 7 10 0.62 -0.01 2.00 o -6 7 10 5.24 4.87 1.07 o -5 7 10 1.15 0.65 0.82 o -4 7 10 9.14 10.58 0.88 o -3 7 10 10.49 9.30 0.85 o -2 7 10 7.17 12.55 1.00 o -1 7 10 11.16 14.25 1.25 o 0 7 10 0.71 3.99 1.69 o -6 8 10 25.77 23.94 2.29 o -5 8 10 0.52 4.15 1.23 o -4 8 10 0.11 2.31 1.02 o -3 8 10 0.69 1.81 1.27 o -2 8 10 5.77 3.85 1.57 o -1 2 11 44.85 42.73 0.52 o -2 3 11 283.96 290.68 2.48 o -1 3 11 407.68 434.06 3.37 o -3 4 11 35.64 33.82 0.61 o -2 4 11 0.18 0.72 0.35 o -1 4 11 15.40 12.05 0.45 o -4 5 11 309.98 297.66 2.72 o -3 5 11 0.55 1.56 0.42 o -2 5 11 11.98 17.68 0.59 o -1 5 11 96.29 89.22 1.34 o -5 6 11 3.08 2.15 0.76 o -4 6 11 53.81 55.82 1.21 o -3 6 11 3.60 2.01 0.68 o -2 6 11 52.76 52.46 1.26 o -1 6 11 14.82 16.95 0.91 o -6 7 11 8.05 7.89 1.10 o -5 7 11 31.93 29.59 1.16 o -4 7 11 0.35 0.24 0.88 o -3 7 11 50.68 54.19 1.34 o -2 7 11 8.61 8.56 0.97 o -1 7 11 6.41 8.93 1.48 o -5 8 11 7.32 9.59 1.40 o -4 8 11 0.12 1.86 1.13 o -3 8 11 151.12 152.89 3.70 o 0 0 12 287.82 239.61 4.66 o -1 1 12 69.36 69.69 1.01 o 0 1 12 8.39 8.18 0.45 o -2 2 12 90.14 98.32 1.38 o -1 2 12 8.64 7.67 0.37 o 0 2 12 431.01 423.21 4.36 o -3 3 12 0.12 0.96 0.59 o -2 3 12 203.43 209.59 1.98 o -1 3 12 249.05 241.75 2.17 o 0 3 12 23.07 24.26 0.88 o -4 4 12 62.31 63.82 1.20 o -3 4 12 0.03 1.33 0.43 o -2 4 12 107.01 109.82 1.32 o -1 4 12 43.92 46.51 0.78 o 0 4 12 295.68 293.01 4.73 o -5 5 12 10.77 10.36 0.91 o -4 5 12 127.99 125.82 1.94 o -3 5 12 7.19 8.10 0.58 o -2 5 12 3.38 5.14 0.52 o -1 5 12 52.09 55.14 1.07 o 0 5 12 5.23 2.39 0.81 o -6 6 12 239.06 283.58 5.27 o -5 6 12 4.53 4.27 0.88 o -4 6 12 6.85 6.54 0.79 o -3 6 12 6.46 4.92 0.76 o -2 6 12 6.51 5.24 0.77 o -1 6 12 14.50 10.72 0.89 o 0 6 12 29.61 28.83 2.73 o -6 7 12 2.29 4.21 1.21 o -5 7 12 4.51 3.73 1.09 o -4 7 12 0.04 0.76 0.90 o -3 7 12 6.87 4.07 0.98 o -2 7 12 1.46 2.72 0.97 o -1 7 12 3.27 5.15 1.29 o -4 8 12 62.49 66.15 3.21 o -1 2 13 119.82 122.74 1.34 o -2 3 13 24.82 24.36 0.59 o -1 3 13 9.32 9.22 0.44 o -3 4 13 93.48 81.56 1.25 o -2 4 13 22.73 21.32 0.80 o -1 4 13 46.19 42.59 0.82 o -4 5 13 22.00 21.53 0.79 o -3 5 13 106.97 118.39 1.66 o -2 5 13 38.80 39.36 0.96 o -1 5 13 11.88 12.04 0.70 o -5 6 13 3.14 2.65 0.97 o -4 6 13 0.00 0.67 0.79 o -3 6 13 10.32 12.67 0.95 o -2 6 13 12.53 11.45 1.03 o -1 6 13 16.38 17.96 1.28 o -6 7 13 7.95 4.61 1.23 o -5 7 13 0.31 0.33 1.17 o -4 7 13 7.67 7.61 1.06 o -3 7 13 10.49 11.26 1.11 o -2 7 13 9.60 6.90 1.09 o -1 7 13 0.02 1.04 1.47 o 0 0 14 190.22 184.02 5.71 o -1 1 14 31.27 24.33 1.03 o 0 1 14 162.63 152.51 2.25 o -2 2 14 384.26 394.90 4.84 o -1 2 14 0.29 0.33 0.44 o 0 2 14 11.30 9.21 0.65 o -3 3 14 178.54 191.58 3.32 o -2 3 14 154.69 149.76 1.72 o -1 3 14 43.52 41.74 0.79 o 0 3 14 35.67 29.13 1.00 o -4 4 14 219.76 241.33 4.02 o -3 4 14 15.66 16.02 1.07 o -2 4 14 31.62 30.19 0.77 o -1 4 14 0.13 0.11 0.57 o 0 4 14 7.07 4.60 0.96 o -5 5 14 10.96 12.90 1.49 o -4 5 14 0.27 1.25 0.75 o -3 5 14 0.61 -0.08 0.68 o -2 5 14 0.10 -0.24 0.68 o -1 5 14 113.95 116.57 1.77 o 0 5 14 13.92 19.25 1.65 o -6 6 14 0.14 -0.53 1.59 o -5 6 14 24.37 22.42 1.21 o -4 6 14 12.87 11.96 1.02 o -3 6 14 0.03 1.98 0.97 o -2 6 14 2.77 4.98 1.00 o -1 6 14 5.48 1.56 1.12 o 0 6 14 206.85 232.33 12.59 o -5 7 14 7.82 8.91 1.70 o -4 7 14 18.44 13.54 1.66 o -3 7 14 28.69 30.62 1.30 o -2 7 14 18.81 19.36 1.65 o -1 2 15 6.05 5.84 0.57 o -2 3 15 15.21 15.85 0.68 o -1 3 15 26.77 27.58 0.80 o -3 4 15 24.65 21.35 0.86 o -2 4 15 5.44 6.48 0.69 o -1 4 15 2.86 5.15 0.69 o -4 5 15 30.16 27.43 1.13 o -3 5 15 3.44 5.15 0.91 o -2 5 15 0.51 -0.34 0.86 o -1 5 15 5.75 5.21 0.97 o -5 6 15 0.00 2.07 1.25 o -4 6 15 8.58 10.04 1.04 o -3 6 15 6.93 7.45 1.05 o -2 6 15 0.04 0.77 1.17 o -1 6 15 0.20 0.69 1.29 o 0 0 16 90.59 84.88 2.68 o -1 1 16 41.04 39.15 1.26 o 0 1 16 78.66 74.66 1.63 o -2 2 16 25.85 21.58 1.18 o -1 2 16 11.47 12.57 0.70 o 0 2 16 560.97 572.65 8.16 o -3 3 16 46.44 45.37 1.52 o -2 3 16 33.88 34.62 1.04 o -1 3 16 127.12 132.67 1.91 o 0 3 16 46.15 43.71 1.53 o -4 4 16 29.23 32.67 1.38 o -3 4 16 7.85 9.22 0.79 o -2 4 16 83.33 87.70 1.46 o -1 4 16 3.54 3.53 0.74 o 0 4 16 295.95 323.27 5.33 o -5 5 16 1.58 3.68 2.05 o -4 5 16 96.58 107.30 1.96 o -3 5 16 7.34 8.24 1.03 o -2 5 16 2.45 1.79 1.02 o -1 5 16 6.82 8.08 1.22 o 0 5 16 1.97 0.12 1.80 o -5 6 16 0.48 -0.97 1.90 o -4 6 16 3.08 1.29 1.18 o -3 6 16 0.54 -0.62 1.04 o -2 6 16 2.39 2.63 1.32 o -1 6 16 11.16 13.64 1.43 o -1 2 17 0.10 0.59 0.72 o -2 3 17 0.06 0.57 0.74 o -1 3 17 0.40 0.36 0.70 o -3 4 17 0.00 0.66 0.78 o -2 4 17 0.65 1.10 0.81 o -1 4 17 3.80 5.39 0.92 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47.29 45.60 1.75 o 0 3 20 53.05 49.07 2.04 o -1 2 21 28.97 27.86 1.16 o