#------------------------------------------------------------------------------
#$Date: 2021-07-07 07:44:27 +0300 (Wed, 07 Jul 2021) $
#$Revision: 267320 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108833.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_2108833
_cell_angle_alpha                90.000
_cell_angle_beta                 109.931
_cell_angle_gamma                90.000
_cell_length_a                   7.5022
_cell_length_b                   14.2259
_cell_length_c                   10.4517
_exptl_crystal_F_000             572.00
_reflns_d_resolution_high        0.9000
_cod_data_source_file            um5049CaDgalBrsup2.hkl
_cod_data_source_block           CaDgalBr_new
_shelx_title                     ' cadgalbr_new_a.res in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            172.34
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 -15 0 42.33 39.38 16.54 o
2 -15 0 78.79 104.34 44.91 o
0 -14 0 1653.57 1713.51 116.15 o
1 -14 0 229.22 286.86 37.70 o
2 -14 0 159.81 163.70 25.94 o
3 -14 0 41.16 10.14 18.89 o
1 -13 0 889.53 1013.60 81.72 o
2 -13 0 769.09 767.16 51.99 o
3 -13 0 17.43 12.06 55.12 o
4 -13 0 242.28 220.59 53.85 o
0 -12 0 966.27 1111.93 90.45 o
1 -12 0 50.09 53.04 15.52 o
2 -12 0 1430.28 1535.90 88.60 o
3 -12 0 46.28 62.88 40.64 o
4 -12 0 15.11 28.49 25.54 o
5 -12 0 515.57 629.98 66.74 o
1 -11 0 164.05 164.61 23.97 o
2 -11 0 657.83 727.99 49.15 o
3 -11 0 897.67 866.10 87.16 o
4 -11 0 636.93 636.09 39.63 o
5 -11 0 588.54 618.56 46.59 o
0 -10 0 1001.02 1022.60 74.28 o
1 -10 0 453.20 474.85 46.48 o
2 -10 0 531.58 564.90 63.30 o
3 -10 0 1031.58 1018.36 90.08 o
4 -10 0 1664.28 1728.74 126.86 o
5 -10 0 155.27 205.04 32.18 o
6 -10 0 17.00 43.59 17.77 o
1 -9 0 173.15 200.94 23.29 o
2 -9 0 1417.60 1437.30 60.23 o
3 -9 0 1702.09 1790.88 69.70 o
4 -9 0 149.42 124.63 27.41 o
5 -9 0 11.23 20.76 23.27 o
6 -9 0 1.03 35.55 20.36 o
0 -8 0 4171.28 4466.08 132.16 o
1 -8 0 3903.91 4083.31 130.15 o
2 -8 0 2384.61 2376.33 67.23 o
3 -8 0 684.80 669.56 41.09 o
4 -8 0 247.56 245.42 30.21 o
5 -8 0 857.34 822.79 83.29 o
6 -8 0 195.24 241.81 30.18 o
1 -7 0 824.87 816.35 55.03 o
2 -7 0 631.89 651.73 42.75 o
3 -7 0 883.10 904.34 44.59 o
4 -7 0 1111.62 1128.01 75.60 o
5 -7 0 840.78 865.45 54.65 o
6 -7 0 179.55 146.34 27.32 o
7 -7 0 375.92 434.68 51.63 o
1 -6 0 3658.86 4114.13 81.62 o
2 -6 0 1964.63 2086.56 51.00 o
3 -6 0 417.20 393.54 27.95 o
4 -6 0 330.57 312.13 42.56 o
5 -6 0 785.70 796.85 71.74 o
6 -6 0 1388.19 1124.93 93.50 o
7 -6 0 5.80 -13.98 16.17 o
1 -5 0 9276.16 9854.27 171.15 o
2 -5 0 758.47 735.70 49.18 o
3 -5 0 2139.89 2113.31 59.53 o
4 -5 0 1616.57 1549.87 84.46 o
5 -5 0 1127.11 1056.25 56.46 o
6 -5 0 185.47 262.00 48.52 o
7 -5 0 218.57 218.06 36.78 o
0 -4 0 1904.38 1806.26 87.00 o
1 -4 0 2499.58 2387.88 74.46 o
2 -4 0 1951.23 1959.53 72.30 o
3 -4 0 3264.51 3340.61 60.61 o
4 -4 0 1983.28 2021.80 76.74 o
5 -4 0 239.59 227.48 22.87 o
6 -4 0 556.84 685.94 70.20 o
7 -4 0 500.74 431.89 50.22 o
1 -3 0 605.52 553.07 31.92 o
2 -3 0 4886.45 4462.56 141.35 o
3 -3 0 4052.61 3993.21 89.87 o
4 -3 0 394.67 404.70 24.62 o
5 -3 0 363.11 372.61 27.23 o
6 -3 0 403.16 411.60 56.88 o
7 -3 0 42.15 30.31 17.05 o
0 -2 0 1248.67 1201.25 48.62 o
1 -2 0 856.38 904.06 34.91 o
2 -2 0 13802.53 13261.43 156.28 o
3 -2 0 129.44 128.19 10.05 o
4 -2 0 3493.77 3476.60 67.24 o
5 -2 0 2351.28 2425.50 64.30 o
6 -2 0 570.51 565.56 67.65 o
7 -2 0 352.91 364.67 44.38 o
1 -1 0 642.38 604.03 22.24 o
2 -1 0 7487.81 7030.08 185.87 o
3 -1 0 132.28 141.96 26.19 o
4 -1 0 94.05 78.77 11.65 o
5 -1 0 1243.29 1251.50 56.17 o
6 -1 0 55.14 60.08 22.90 o
7 -1 0 283.90 316.56 43.19 o
1 0 0 1083.70 1144.48 30.21 o
2 0 0 2762.96 2598.20 54.30 o
3 0 0 2811.81 3210.59 128.17 o
4 0 0 724.86 723.30 29.31 o
5 0 0 562.50 602.37 39.76 o
6 0 0 891.06 967.31 53.17 o
1 1 0 634.03 671.53 39.45 o
3 1 0 77.56 49.66 26.98 o
4 1 0 55.00 47.01 12.05 o
5 1 0 1127.15 1068.58 80.65 o
6 1 0 43.29 41.30 25.00 o
2 2 0 14032.36 13449.99 231.29 o
4 2 0 3260.54 3226.50 103.91 o
5 2 0 2303.95 2321.89 81.51 o
1 3 0 708.60 705.51 48.96 o
2 3 0 4594.23 4378.23 164.58 o
3 3 0 4057.72 4146.91 108.33 o
4 3 0 406.12 387.60 24.48 o
5 3 0 340.22 362.38 29.27 o
6 3 0 359.94 372.75 53.77 o
1 4 0 2391.32 2590.77 78.10 o
2 4 0 1824.43 1960.53 98.65 o
3 4 0 3086.64 3030.12 62.18 o
4 4 0 2146.88 2039.14 55.36 o
5 4 0 250.33 229.45 19.33 o
1 5 0 9444.99 10028.95 174.06 o
2 5 0 682.81 675.60 29.58 o
3 5 0 2187.66 2097.08 52.42 o
4 5 0 1674.77 1530.17 50.68 o
5 5 0 1092.47 1066.47 41.21 o
6 5 0 192.93 201.00 29.94 o
0 6 0 6407.64 7276.72 228.93 o
1 6 0 3977.66 4233.60 72.60 o
2 6 0 2087.35 2044.96 61.36 o
3 6 0 320.62 314.03 18.99 o
4 6 0 236.39 249.07 23.43 o
5 6 0 951.43 911.16 40.22 o
6 6 0 1469.99 1520.02 68.55 o
1 7 0 774.77 757.46 26.28 o
2 7 0 573.74 541.77 28.48 o
3 7 0 874.61 916.39 33.89 o
4 7 0 1062.14 1031.40 47.45 o
5 7 0 863.69 840.13 38.75 o
6 7 0 171.10 183.21 25.81 o
0 8 0 4106.37 3971.50 129.84 o
1 8 0 4135.18 3991.89 74.46 o
2 8 0 2295.07 2197.49 59.22 o
3 8 0 752.45 718.35 32.63 o
4 8 0 302.41 305.68 28.13 o
5 8 0 771.02 755.56 38.93 o
6 8 0 153.82 145.81 28.06 o
1 9 0 177.67 171.99 15.37 o
2 9 0 1360.93 1392.19 50.82 o
3 9 0 1781.02 1776.39 54.44 o
4 9 0 182.78 167.05 28.61 o
5 9 0 2.79 13.90 24.09 o
6 9 0 0.52 -14.75 19.29 o
0 10 0 919.60 896.12 74.15 o
1 10 0 575.87 527.45 31.85 o
2 10 0 606.97 576.97 36.43 o
3 10 0 1090.23 1085.98 45.90 o
4 10 0 1583.60 1626.50 85.55 o
5 10 0 134.78 176.36 29.11 o
6 10 0 9.94 -19.09 20.88 o
1 11 0 147.35 157.71 23.11 o
2 11 0 632.18 605.61 46.74 o
3 11 0 878.01 943.24 63.96 o
4 11 0 679.43 653.18 84.24 o
5 11 0 548.39 521.48 68.14 o
1 12 0 30.98 38.23 17.06 o
2 12 0 1301.11 1404.71 94.98 o
3 12 0 79.35 96.04 29.89 o
4 12 0 30.67 4.65 16.49 o
5 12 0 499.86 539.82 39.93 o
2 13 0 757.12 711.64 69.82 o
3 13 0 26.06 24.17 31.16 o
4 13 0 243.57 235.62 37.88 o
2 14 0 128.45 102.64 33.20 o
3 14 0 55.39 10.30 27.17 o
2 15 0 78.41 41.58 16.58 o
-2 -15 1 62.65 40.46 15.53 o
-1 -15 1 95.30 100.47 18.33 o
0 -15 1 288.53 312.27 35.56 o
1 -15 1 27.87 10.03 23.63 o
2 -15 1 153.71 130.78 22.71 o
-3 -14 1 260.28 295.31 35.58 o
-2 -14 1 755.18 805.25 56.16 o
-1 -14 1 55.20 37.36 16.25 o
0 -14 1 17.84 -5.98 16.94 o
1 -14 1 83.55 98.66 23.01 o
2 -14 1 56.60 47.74 29.05 o
3 -14 1 336.08 305.76 78.86 o
-4 -13 1 822.01 778.09 116.81 o
-3 -13 1 82.08 68.05 24.78 o
-2 -13 1 677.98 730.40 50.32 o
-1 -13 1 475.97 491.82 47.21 o
0 -13 1 223.07 209.97 36.24 o
1 -13 1 1319.65 1380.06 70.27 o
2 -13 1 904.97 834.09 84.77 o
3 -13 1 80.22 26.88 14.42 o
4 -13 1 500.62 474.32 58.29 o
-5 -12 1 56.21 104.49 26.85 o
-4 -12 1 4.49 -31.89 31.89 o
-3 -12 1 725.33 718.39 45.04 o
-2 -12 1 446.18 456.13 45.72 o
-1 -12 1 440.17 424.63 43.36 o
0 -12 1 677.52 710.02 51.68 o
1 -12 1 482.53 419.27 46.51 o
2 -12 1 240.36 236.22 56.00 o
3 -12 1 965.09 848.20 80.37 o
4 -12 1 23.76 27.23 16.74 o
-5 -11 1 151.55 168.73 29.87 o
-4 -11 1 209.96 184.51 23.12 o
-3 -11 1 545.77 571.16 43.54 o
-2 -11 1 1915.48 1906.52 80.08 o
-1 -11 1 2050.79 2230.92 85.79 o
0 -11 1 4356.64 4646.41 165.50 o
1 -11 1 451.51 423.66 38.86 o
2 -11 1 294.23 295.73 33.31 o
3 -11 1 844.54 839.65 82.92 o
5 -11 1 222.72 244.38 30.82 o
-6 -10 1 67.11 71.32 17.83 o
-5 -10 1 169.64 149.42 24.55 o
-4 -10 1 978.02 1065.77 48.96 o
-3 -10 1 186.94 173.84 19.52 o
-2 -10 1 164.68 120.51 37.34 o
-1 -10 1 2543.19 2560.40 95.37 o
0 -10 1 36.16 43.98 16.89 o
1 -10 1 1235.36 1318.15 60.94 o
2 -10 1 1020.87 1153.14 66.10 o
3 -10 1 294.86 280.16 30.00 o
4 -10 1 86.02 89.83 34.52 o
5 -10 1 459.54 506.51 68.78 o
-6 -9 1 708.57 728.08 49.76 o
-5 -9 1 1288.79 1388.14 67.58 o
-4 -9 1 33.61 36.33 20.14 o
-3 -9 1 45.68 54.68 23.37 o
-2 -9 1 513.58 550.70 55.75 o
-1 -9 1 1379.45 1400.72 82.57 o
0 -9 1 3753.91 3996.86 143.83 o
1 -9 1 1290.62 1327.65 56.15 o
2 -9 1 1526.28 1586.21 50.12 o
3 -9 1 172.64 169.72 23.64 o
4 -9 1 287.89 208.08 44.47 o
5 -9 1 635.97 668.45 84.05 o
6 -9 1 299.68 316.83 65.67 o
-6 -8 1 97.87 70.60 18.29 o
-5 -8 1 724.08 725.72 50.78 o
-4 -8 1 138.10 134.48 27.72 o
-3 -8 1 1805.53 1818.92 64.67 o
-2 -8 1 1293.17 1304.83 78.14 o
-1 -8 1 1824.24 1934.96 90.23 o
0 -8 1 791.05 920.31 60.15 o
1 -8 1 1110.60 1138.16 48.09 o
2 -8 1 2556.61 2572.72 58.86 o
3 -8 1 2275.44 2352.97 80.11 o
4 -8 1 406.72 393.10 51.45 o
5 -8 1 938.18 882.89 62.11 o
6 -8 1 68.40 18.78 31.34 o
-7 -7 1 678.24 772.57 66.55 o
-6 -7 1 480.65 495.59 44.38 o
-5 -7 1 471.78 444.36 56.60 o
-4 -7 1 1791.85 1838.83 57.71 o
-3 -7 1 1281.49 1241.72 50.39 o
-2 -7 1 1778.08 1700.56 52.17 o
-1 -7 1 509.70 572.92 38.71 o
0 -7 1 4505.11 4900.85 124.75 o
1 -7 1 313.08 384.03 51.18 o
2 -7 1 229.79 259.32 25.63 o
3 -7 1 1151.70 1154.62 52.69 o
4 -7 1 1245.35 1308.98 88.13 o
5 -7 1 768.07 718.36 54.05 o
6 -7 1 146.85 112.22 41.80 o
-7 -6 1 27.08 41.84 19.91 o
-6 -6 1 128.31 103.79 26.38 o
-5 -6 1 20.25 -0.16 8.95 o
-4 -6 1 168.65 143.58 17.46 o
-3 -6 1 4251.70 4277.20 87.71 o
-2 -6 1 2280.20 2373.73 52.32 o
-1 -6 1 6171.10 6914.88 105.76 o
0 -6 1 132.31 140.63 28.88 o
1 -6 1 2745.35 3064.95 162.85 o
2 -6 1 392.33 415.34 40.74 o
3 -6 1 4950.20 5049.99 164.03 o
4 -6 1 590.94 548.88 58.10 o
5 -6 1 424.44 364.70 39.09 o
6 -6 1 181.40 144.10 39.64 o
-7 -5 1 55.26 73.34 25.66 o
-6 -5 1 260.59 261.93 32.83 o
-5 -5 1 343.40 323.88 46.45 o
-4 -5 1 881.68 837.55 36.09 o
-3 -5 1 231.85 238.74 18.13 o
-2 -5 1 7187.38 7549.48 349.11 o
-1 -5 1 2712.35 2572.54 123.98 o
0 -5 1 3403.13 3382.34 101.35 o
1 -5 1 7641.77 8228.31 237.28 o
2 -5 1 6989.54 7663.00 253.65 o
3 -5 1 237.98 234.20 32.55 o
4 -5 1 874.61 787.42 45.88 o
5 -5 1 436.93 421.72 38.44 o
6 -5 1 548.24 711.04 76.95 o
7 -5 1 126.91 125.91 27.45 o
-7 -4 1 315.26 319.01 45.10 o
-6 -4 1 505.02 480.82 55.78 o
-5 -4 1 460.61 437.29 52.89 o
-4 -4 1 2632.06 2692.64 94.60 o
-3 -4 1 713.59 760.26 35.37 o
-2 -4 1 500.53 475.94 34.00 o
-1 -4 1 3752.96 3610.35 101.15 o
0 -4 1 332.45 300.74 27.87 o
1 -4 1 8618.84 9302.17 224.41 o
2 -4 1 7001.92 7283.28 99.69 o
3 -4 1 470.04 446.18 27.81 o
4 -4 1 325.23 259.61 26.00 o
5 -4 1 461.51 465.14 31.94 o
6 -4 1 357.49 404.75 52.55 o
7 -4 1 267.25 294.82 46.14 o
-7 -3 1 155.60 186.34 34.20 o
-6 -3 1 953.69 958.69 73.18 o
-5 -3 1 712.32 715.33 71.26 o
-4 -3 1 687.93 669.99 30.17 o
-3 -3 1 1807.45 1953.11 60.92 o
-2 -3 1 136.98 126.44 19.68 o
-1 -3 1 1525.87 1492.05 92.46 o
0 -3 1 13545.26 12963.45 149.90 o
1 -3 1 5711.05 5677.38 157.70 o
2 -3 1 998.54 982.99 39.38 o
3 -3 1 2199.35 2138.47 61.83 o
4 -3 1 1077.47 998.71 73.86 o
5 -3 1 505.66 491.52 33.49 o
6 -3 1 438.77 506.17 64.26 o
7 -3 1 1.17 -16.71 20.82 o
-7 -2 1 309.11 309.27 45.07 o
-6 -2 1 1334.35 1371.21 59.90 o
-5 -2 1 967.43 964.00 87.42 o
-4 -2 1 5036.31 5075.87 127.64 o
-3 -2 1 4070.83 4257.84 122.62 o
-1 -2 1 2882.41 2873.02 69.76 o
0 -2 1 5456.22 5248.90 82.25 o
1 -2 1 8604.70 7997.84 166.87 o
2 -2 1 1971.27 1915.50 51.16 o
3 -2 1 952.84 876.83 37.63 o
4 -2 1 722.84 734.89 32.22 o
5 -2 1 1473.04 1471.56 56.63 o
6 -2 1 181.97 116.11 36.87 o
7 -2 1 394.54 427.99 49.25 o
-7 -1 1 493.40 465.84 50.16 o
-6 -1 1 1109.68 1177.35 77.42 o
-5 -1 1 2325.77 2506.93 109.39 o
-4 -1 1 3003.05 3262.10 65.89 o
-2 -1 1 8131.45 7406.19 99.86 o
-1 -1 1 327.80 249.72 32.82 o
0 -1 1 1162.17 1144.68 46.61 o
1 -1 1 8111.29 7374.99 150.03 o
2 -1 1 5084.79 4651.11 144.30 o
3 -1 1 147.25 121.52 8.17 o
4 -1 1 1307.21 1211.31 40.53 o
5 -1 1 981.65 880.21 49.26 o
6 -1 1 516.90 472.09 59.27 o
7 -1 1 584.29 532.01 71.70 o
-6 0 1 44.17 39.86 19.98 o
-5 0 1 7.16 43.06 24.22 o
-4 0 1 511.67 501.45 26.67 o
-3 0 1 4662.44 4094.34 160.05 o
-2 0 1 12502.24 10964.17 211.50 o
-1 0 1 282.09 280.17 16.02 o
0 0 1 249.78 243.40 19.77 o
1 0 1 22.33 10.33 10.62 o
2 0 1 1562.80 1432.55 138.13 o
3 0 1 29701.31 29690.07 412.80 o
4 0 1 123.12 104.61 22.47 o
5 0 1 803.45 829.09 47.04 o
6 0 1 941.46 851.15 81.38 o
7 0 1 47.10 61.37 26.29 o
-6 1 1 1093.89 1181.90 70.48 o
-5 1 1 2157.10 2253.50 91.33 o
-4 1 1 3145.67 3261.08 152.92 o
-3 1 1 221.79 227.83 44.03 o
-1 1 1 532.83 473.06 20.54 o
1 1 1 7829.33 7897.81 80.21 o
2 1 1 5431.95 5276.44 77.15 o
3 1 1 256.64 274.54 15.39 o
4 1 1 1429.92 1351.19 42.33 o
5 1 1 1028.57 955.77 74.06 o
6 1 1 450.35 392.82 62.12 o
7 1 1 615.97 502.46 67.81 o
-5 2 1 989.00 820.05 67.84 o
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1 2 1 7992.12 7997.67 103.88 o
2 2 1 2265.96 2213.53 46.59 o
3 2 1 952.74 928.85 25.21 o
4 2 1 703.61 676.99 32.18 o
5 2 1 1544.79 1521.92 104.52 o
6 2 1 193.95 197.84 37.75 o
-5 3 1 848.69 841.53 72.87 o
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0 3 1 13495.67 13487.15 202.01 o
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2 3 1 990.08 1004.98 44.81 o
3 3 1 2288.13 2374.79 76.11 o
4 3 1 1050.65 1013.42 50.99 o
5 3 1 555.91 501.29 32.23 o
6 3 1 516.95 446.52 64.01 o
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0 4 1 337.95 363.72 31.69 o
1 4 1 8480.75 9126.71 145.94 o
2 4 1 7086.65 7620.26 145.73 o
3 4 1 514.54 506.87 25.56 o
4 4 1 322.88 277.46 19.13 o
5 4 1 434.81 409.44 29.78 o
6 4 1 356.39 223.21 43.22 o
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-5 5 1 201.12 184.47 19.81 o
-4 5 1 849.82 794.77 45.86 o
-3 5 1 167.73 133.52 17.57 o
-2 5 1 6838.98 6948.46 120.98 o
-1 5 1 2987.65 2951.00 131.19 o
0 5 1 3804.52 3815.90 132.45 o
1 5 1 7722.66 8614.58 162.42 o
2 5 1 7381.35 7589.13 99.04 o
3 5 1 250.87 239.68 19.14 o
4 5 1 855.99 825.34 34.11 o
5 5 1 436.07 402.86 29.08 o
6 5 1 522.65 528.53 78.17 o
-6 6 1 116.58 107.61 17.28 o
-5 6 1 12.64 12.98 10.30 o
-4 6 1 135.83 130.17 18.57 o
-3 6 1 4184.67 3948.92 73.63 o
-2 6 1 2372.43 2452.15 64.12 o
-1 6 1 5953.69 6474.66 119.43 o
0 6 1 131.74 156.77 13.99 o
1 6 1 2701.37 2918.61 51.43 o
2 6 1 418.81 397.57 21.83 o
3 6 1 4850.03 4943.85 75.81 o
4 6 1 639.56 621.16 39.69 o
5 6 1 468.75 476.33 34.74 o
6 6 1 154.22 163.93 20.70 o
-6 7 1 486.63 453.64 34.43 o
-5 7 1 376.69 349.17 35.75 o
-4 7 1 1792.07 1776.54 62.84 o
-3 7 1 1392.13 1408.55 42.23 o
-2 7 1 1820.57 1743.55 41.32 o
-1 7 1 524.72 547.92 22.48 o
0 7 1 4832.78 5049.24 95.61 o
1 7 1 400.51 384.62 29.70 o
2 7 1 247.92 215.76 19.87 o
3 7 1 1272.99 1227.40 40.97 o
4 7 1 1079.16 1083.36 48.83 o
5 7 1 674.60 621.50 39.29 o
6 7 1 159.88 116.49 32.37 o
-6 8 1 93.73 93.86 16.83 o
-5 8 1 635.51 577.64 48.42 o
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