#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:59:13 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180936 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/16/2201672.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_2201672_Fobs
loop_
_publ_author_name
'Liu, Yu'
'Xu, Duan-Jun'
'Wu, Jing-Yun'
'Chiang, Michael Y.'
_publ_section_title
;
 Redetermination of bis(2,2'-bipyridine-\k^2^<i>N,N</i>')iodocopper(II)
 iodide
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m733
_journal_page_last               m734
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.445
_cell_angle_beta                 98.780
_cell_angle_gamma                108.300
_cell_length_a                   10.5450
_cell_length_b                   14.2991
_cell_length_c                   7.4229
_exptl_crystal_F_000             598.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            wn6126Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' XU48(Liuyu410) 2002/11/2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            248.60
_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, -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 6317.35 5994.22 54.98 o
2 0 0 119.57 121.33 13.14 o
3 0 0 1066.87 1016.08 45.93 o
4 0 0 33502.04 33337.44 259.49 o
5 0 0 393.58 369.76 22.77 o
6 0 0 1080.77 1123.42 63.61 o
7 0 0 1392.09 1448.95 78.64 o
8 0 0 6190.19 6447.20 158.24 o
9 0 0 77.88 121.40 26.82 o
10 0 0 440.20 482.88 34.91 o
11 0 0 174.28 153.11 32.52 o
12 0 0 879.16 991.31 56.25 o
-12 1 0 246.87 240.88 37.49 o
-11 1 0 24.77 -35.60 61.80 o
-10 1 0 2201.07 2258.09 114.08 o
-9 1 0 28.39 37.06 49.12 o
-8 1 0 684.42 684.12 38.03 o
-7 1 0 297.46 318.48 25.20 o
-6 1 0 19662.03 20046.46 233.60 o
-5 1 0 1254.27 1215.00 61.41 o
-4 1 0 1233.25 1266.82 57.10 o
-3 1 0 1990.73 1915.92 55.60 o
-2 1 0 23958.02 23789.18 149.88 o
-1 1 0 5478.69 5335.46 45.43 o
1 1 0 3822.58 3789.57 44.77 o
2 1 0 61803.70 58512.50 283.22 o
3 1 0 62.23 49.43 15.49 o
4 1 0 635.00 582.63 31.90 o
5 1 0 2906.79 2951.18 88.46 o
6 1 0 15040.60 15042.81 206.75 o
7 1 0 0.38 15.99 41.61 o
8 1 0 38.77 12.79 47.66 o
9 1 0 112.66 -15.76 59.10 o
10 1 0 2432.59 2327.02 119.75 o
11 1 0 93.08 141.44 30.98 o
-12 2 0 864.30 815.61 53.98 o
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-10 2 0 394.13 400.66 34.17 o
-9 2 0 505.11 511.47 31.52 o
-8 2 0 8778.53 9046.54 179.70 o
-7 2 0 24.11 -39.30 39.72 o
-6 2 0 219.61 199.66 20.84 o
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-4 2 0 31604.66 30592.54 231.17 o
-3 2 0 0.37 -13.02 27.01 o
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-1 2 0 6255.82 6101.83 55.10 o
0 2 0 17090.03 17511.63 71.05 o
1 2 0 337.83 374.54 22.85 o
2 2 0 70.87 62.57 12.14 o
3 2 0 3733.54 3622.62 74.63 o
4 2 0 28328.88 27748.85 237.53 o
5 2 0 510.71 560.05 34.33 o
6 2 0 1098.81 1088.32 67.23 o
7 2 0 397.37 441.54 27.86 o
8 2 0 3052.42 2957.54 116.47 o
9 2 0 32.15 59.72 48.51 o
10 2 0 177.28 196.07 33.91 o
11 2 0 235.35 259.03 34.33 o
-12 3 0 260.40 259.14 38.22 o
-11 3 0 196.57 135.31 69.51 o
-10 3 0 2772.06 2852.90 125.91 o
-9 3 0 198.83 238.03 26.62 o
-8 3 0 934.98 832.72 49.59 o
-7 3 0 2285.13 2133.14 87.92 o
-6 3 0 7539.99 6947.89 131.73 o
-5 3 0 983.81 1093.91 51.90 o
-4 3 0 327.40 361.59 23.93 o
-3 3 0 7731.34 7665.10 92.89 o
-2 3 0 50526.47 48780.99 238.03 o
-1 3 0 1368.27 1433.27 33.75 o
0 3 0 780.49 835.00 32.48 o
1 3 0 10536.46 10558.37 98.98 o
2 3 0 31351.79 30505.77 203.12 o
3 3 0 734.69 725.26 41.84 o
4 3 0 456.62 488.08 24.62 o
5 3 0 4503.78 4377.36 107.23 o
6 3 0 9204.87 8684.95 164.56 o
7 3 0 1113.36 1124.42 55.56 o
8 3 0 824.27 831.53 52.44 o
9 3 0 1027.52 1161.18 63.69 o
10 3 0 1126.27 1104.12 69.74 o
11 3 0 158.01 180.01 35.72 o
-12 4 0 965.28 986.64 57.14 o
-11 4 0 14.76 -15.72 55.79 o
-10 4 0 498.30 485.12 34.14 o
-9 4 0 1532.33 1534.98 89.77 o
-8 4 0 8072.75 7777.72 164.17 o
-7 4 0 0.56 -3.74 40.34 o
-6 4 0 1000.76 1028.49 55.87 o
-5 4 0 8416.28 8281.25 124.76 o
-4 4 0 22194.99 21666.86 184.21 o
-3 4 0 721.70 740.18 35.52 o
-2 4 0 161.65 155.73 12.48 o
-1 4 0 12802.18 12953.20 110.00 o
0 4 0 26787.84 26570.82 120.39 o
1 4 0 1709.77 1770.39 47.43 o
2 4 0 2653.35 2821.00 64.42 o
3 4 0 19311.18 20050.66 189.48 o
4 4 0 11217.08 11110.41 154.73 o
5 4 0 1231.77 1320.42 65.88 o
6 4 0 587.58 579.24 31.75 o
7 4 0 3473.17 3370.11 120.56 o
8 4 0 2398.58 2445.23 110.19 o
9 4 0 703.67 685.58 39.80 o
10 4 0 192.33 125.06 78.83 o
-12 5 0 64.49 90.00 60.91 o
-11 5 0 464.50 438.65 37.91 o
-10 5 0 2194.50 2162.16 105.30 o
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-8 5 0 478.72 472.32 27.93 o
-7 5 0 3835.82 3763.41 105.99 o
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-5 5 0 45.13 37.22 29.78 o
-4 5 0 509.41 524.45 25.89 o
-3 5 0 10102.78 9858.54 113.43 o
-2 5 0 21324.36 21122.14 161.47 o
-1 5 0 2737.19 2625.00 56.21 o
0 5 0 563.64 595.38 24.56 o
1 5 0 13124.18 12578.40 131.27 o
2 5 0 20750.09 20704.61 185.63 o
3 5 0 2551.10 2524.67 72.40 o
4 5 0 196.45 211.64 18.26 o
5 5 0 5328.57 5319.51 124.87 o
6 5 0 3755.27 3529.35 111.93 o
7 5 0 1238.04 1234.15 58.14 o
8 5 0 488.04 475.75 33.98 o
9 5 0 1069.13 1125.46 67.23 o
10 5 0 466.36 447.90 40.69 o
-12 6 0 347.95 381.43 41.03 o
-11 6 0 22.18 70.85 53.05 o
-10 6 0 143.24 139.17 26.78 o
-9 6 0 2756.61 2642.72 111.08 o
-8 6 0 3715.71 3543.02 115.74 o
-7 6 0 143.23 162.05 19.50 o
-6 6 0 44.35 5.47 33.17 o
-5 6 0 13595.33 13657.32 162.63 o
-4 6 0 14137.05 13937.57 152.38 o
-3 6 0 778.73 795.39 39.15 o
-2 6 0 98.85 120.02 12.56 o
-1 6 0 9508.05 9387.64 112.50 o
0 6 0 9082.41 9202.15 80.98 o
1 6 0 2602.08 2582.12 65.58 o
2 6 0 9.47 -4.62 25.74 o
3 6 0 6347.74 6145.33 113.16 o
4 6 0 4595.34 4548.89 107.96 o
5 6 0 1800.09 1722.54 79.99 o
6 6 0 53.95 66.00 45.16 o
7 6 0 1876.59 2058.59 99.52 o
8 6 0 739.06 618.19 40.96 o
9 6 0 590.03 662.08 41.61 o
-12 7 0 115.23 15.10 70.43 o
-11 7 0 1271.14 1251.18 66.50 o
-10 7 0 1436.21 1359.37 90.31 o
-9 7 0 7.72 -40.53 46.58 o
-8 7 0 104.59 70.74 22.42 o
-7 7 0 6599.40 6490.55 135.16 o
-6 7 0 5320.41 5307.14 111.69 o
-5 7 0 397.56 344.06 20.54 o
-4 7 0 132.49 169.22 15.37 o
-3 7 0 30711.85 31131.13 236.03 o
-2 7 0 9119.40 8938.63 118.44 o
-1 7 0 2020.48 1952.17 58.56 o
0 7 0 451.74 424.54 24.18 o
1 7 0 12311.71 11751.30 146.49 o
2 7 0 3966.48 4045.13 94.28 o
3 7 0 1756.11 1634.58 69.08 o
4 7 0 437.86 395.19 24.39 o
5 7 0 3641.14 3585.33 110.31 o
6 7 0 922.05 902.19 50.70 o
7 7 0 1061.45 1043.82 58.45 o
8 7 0 303.59 279.06 36.87 o
9 7 0 536.80 555.24 41.30 o
-12 8 0 290.75 339.44 35.33 o
-11 8 0 7.49 22.69 53.79 o
-10 8 0 11.12 16.76 47.78 o
-9 8 0 3591.45 3496.79 121.29 o
-8 8 0 1864.73 1867.49 88.92 o
-7 8 0 10.34 14.95 36.49 o
-6 8 0 5.47 0.15 31.75 o
-5 8 0 10404.88 10176.55 149.26 o
-4 8 0 4789.97 4957.14 99.71 o
-3 8 0 1216.04 1240.16 52.90 o
-2 8 0 21.30 43.92 24.74 o
-1 8 0 16584.50 16452.23 175.34 o
0 8 0 3650.63 3838.80 61.67 o
1 8 0 2398.68 2355.99 73.47 o
2 8 0 264.32 230.21 18.92 o
3 8 0 6413.61 6518.44 131.19 o
4 8 0 988.18 958.25 47.01 o
5 8 0 738.43 763.83 46.93 o
6 8 0 158.61 173.03 26.16 o
7 8 0 1733.32 1848.49 97.98 o
8 8 0 99.57 111.00 29.78 o
-12 9 0 8.29 86.00 43.77 o
-11 9 0 1288.20 1272.41 69.51 o
-10 9 0 119.36 64.65 48.66 o
-9 9 0 208.46 221.58 26.01 o
-8 9 0 113.05 153.85 22.58 o
-7 9 0 6993.97 6608.79 142.36 o
-6 9 0 1561.10 1538.88 67.50 o
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-4 9 0 70.96 53.17 15.87 o
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-2 9 0 1716.68 1726.59 64.77 o
-1 9 0 1363.57 1391.77 60.18 o
0 9 0 554.70 526.64 21.63 o
1 9 0 11056.44 11113.38 163.36 o
2 9 0 531.55 548.80 29.36 o
3 9 0 1420.94 1460.89 74.55 o
4 9 0 142.56 170.18 23.19 o
5 9 0 2625.61 2595.29 108.61 o
6 9 0 71.17 90.16 46.16 o
7 9 0 484.20 442.46 37.14 o
8 9 0 81.10 77.52 65.42 o
-12 10 0 165.68 146.99 34.52 o
-11 10 0 8.86 79.83 52.36 o
-10 10 0 1.50 17.57 46.27 o
-9 10 0 891.81 975.78 48.74 o
-8 10 0 84.53 34.95 44.92 o
-7 10 0 190.62 187.75 23.12 o
-6 10 0 95.19 103.76 19.11 o
-5 10 0 7379.06 7501.58 139.36 o
-4 10 0 359.28 354.43 20.57 o
-3 10 0 533.38 509.66 31.56 o
-2 10 0 854.64 814.77 37.03 o
-1 10 0 12410.53 13132.36 177.00 o
0 10 0 292.43 295.74 18.26 o
1 10 0 1781.65 1737.61 74.13 o
2 10 0 241.24 245.27 23.16 o
3 10 0 4553.69 4762.69 127.99 o
4 10 0 31.15 2.74 42.11 o
5 10 0 1444.85 1404.06 87.73 o
6 10 0 288.99 334.20 32.71 o
7 10 0 831.10 756.59 49.01 o
-12 11 0 10.30 61.26 40.49 o
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-6 11 0 238.28 217.96 21.92 o
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-1 11 0 3136.61 2985.28 94.90 o
0 11 0 2467.35 2608.24 63.67 o
1 11 0 4901.29 5069.84 124.99 o
2 11 0 0.35 -14.87 36.91 o
3 11 0 1461.88 1633.89 81.95 o
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5 11 0 1530.60 1494.95 95.98 o
6 11 0 17.42 23.50 57.48 o
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-8 12 0 10.69 -9.67 40.46 o
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-5 12 0 4784.21 4832.70 124.02 o
-4 12 0 2.93 -15.76 29.01 o
-3 12 0 598.12 624.78 39.26 o
-2 12 0 1409.76 1475.92 72.78 o
-1 12 0 5936.74 6162.98 139.20 o
0 12 0 1.67 19.38 25.56 o
1 12 0 563.79 533.93 29.32 o
2 12 0 841.68 778.13 47.54 o
3 12 0 2155.09 2123.93 100.83 o
4 12 0 150.43 194.80 26.97 o
5 12 0 577.31 549.46 36.72 o
-11 13 0 684.98 660.96 41.26 o
-10 13 0 30.23 -64.54 64.54 o
-9 13 0 79.21 63.34 54.25 o
-8 13 0 444.07 455.99 31.67 o
-7 13 0 1816.39 1809.73 92.20 o
-6 13 0 21.47 18.26 36.45 o
-5 13 0 87.97 73.98 20.96 o
-4 13 0 582.59 596.89 32.52 o
-3 13 0 2923.05 2985.94 103.06 o
-2 13 0 145.69 144.14 21.08 o
-1 13 0 123.35 150.07 21.77 o
0 13 0 237.35 246.57 19.80 o
1 13 0 2058.34 1961.46 92.70 o
2 13 0 114.10 74.63 48.20 o
3 13 0 450.23 408.17 34.33 o
4 13 0 348.79 337.09 35.48 o
-10 14 0 216.13 231.79 34.48 o
-9 14 0 1314.24 1222.67 64.34 o
-8 14 0 0.28 -15.18 54.21 o
-7 14 0 12.42 27.16 26.01 o
-6 14 0 324.03 362.44 26.97 o
-5 14 0 2199.60 2192.48 99.21 o
-4 14 0 89.75 84.53 22.23 o
-3 14 0 185.45 205.86 25.04 o
-2 14 0 260.11 231.25 26.78 o
-1 14 0 1685.84 1896.81 88.69 o
0 14 0 130.48 103.33 70.14 o
1 14 0 590.59 540.56 34.41 o
2 14 0 597.27 598.51 36.37 o
3 14 0 611.20 582.17 39.15 o
-9 15 0 2.10 -58.29 58.29 o
-8 15 0 259.96 244.00 31.90 o
-7 15 0 905.01 927.35 56.64 o
-6 15 0 76.92 81.72 26.43 o
-5 15 0 245.69 239.80 27.39 o
-4 15 0 1040.51 1047.87 55.56 o
-3 15 0 1452.69 1559.57 87.85 o
-2 15 0 151.58 118.82 25.43 o
-1 15 0 106.66 69.81 38.10 o
0 15 0 525.08 545.06 36.26 o
1 15 0 800.71 859.00 56.02 o
2 15 0 429.97 376.39 35.79 o
-8 16 0 31.43 76.83 54.90 o
-7 16 0 92.43 83.38 56.06 o
-6 16 0 717.01 704.19 45.23 o
-5 16 0 712.12 759.29 44.08 o
-4 16 0 148.00 174.80 26.05 o
-3 16 0 318.81 293.17 29.98 o
-2 16 0 636.91 649.83 41.77 o
-1 16 0 304.43 393.19 32.56 o
0 16 0 319.23 331.29 47.58 o
1 16 0 320.29 335.39 33.64 o
-7 17 0 386.10 374.58 34.75 o
-6 17 0 159.56 145.72 31.36 o
-5 17 0 87.74 63.80 59.64 o
-4 17 0 572.04 614.76 38.57 o
-3 17 0 331.74 328.23 32.60 o
-2 17 0 252.25 228.48 31.75 o
1 -17 1 16.28 59.91 24.74 o
2 -17 1 85.93 53.71 61.95 o
3 -17 1 11.37 58.87 49.59 o
4 -17 1 68.71 103.95 52.48 o
5 -17 1 8.21 -57.22 57.33 o
6 -17 1 108.46 127.41 28.01 o
7 -17 1 24.65 47.66 48.08 o
-1 -16 1 34.16 97.13 57.14 o
0 -16 1 130.20 113.49 29.49 o
1 -16 1 271.34 287.15 30.40 o
2 -16 1 1.91 -14.37 52.09 o
3 -16 1 64.15 79.91 49.55 o
4 -16 1 273.92 292.93 29.55 o
5 -16 1 31.09 7.90 49.51 o
6 -16 1 44.88 79.72 50.55 o
7 -16 1 48.86 52.13 52.82 o
8 -16 1 130.74 155.89 29.17 o
-2 -15 1 68.45 23.46 56.25 o
-1 -15 1 57.47 99.71 27.05 o
0 -15 1 12.29 1.86 36.50 o
1 -15 1 703.87 661.85 40.07 o
2 -15 1 565.75 654.53 43.58 o
3 -15 1 173.00 187.17 24.39 o
4 -15 1 61.43 -9.44 44.65 o
5 -15 1 231.26 237.41 26.16 o
6 -15 1 612.35 599.43 34.14 o
7 -15 1 85.33 4.32 54.83 o
8 -15 1 6.74 46.70 48.32 o
9 -15 1 158.98 97.55 31.63 o
-4 -14 1 39.61 -34.29 56.87 o
-3 -14 1 29.13 23.50 50.28 o
-2 -14 1 161.96 184.24 26.97 o
-1 -14 1 167.92 148.14 24.70 o
0 -14 1 685.71 622.74 26.03 o
1 -14 1 1.51 40.15 41.11 o
2 -14 1 130.86 141.94 22.00 o
3 -14 1 646.91 630.56 35.60 o
4 -14 1 356.71 325.57 26.66 o
5 -14 1 120.03 122.44 23.62 o
6 -14 1 0.55 -10.25 40.80 o
7 -14 1 637.43 640.00 39.34 o
8 -14 1 505.27 499.91 35.60 o
9 -14 1 0.90 73.55 55.29 o
10 -14 1 15.67 103.41 54.86 o
-5 -13 1 42.28 7.20 59.33 o
-4 -13 1 217.86 153.42 31.82 o
-3 -13 1 276.57 295.44 29.28 o
-2 -13 1 54.05 74.48 40.03 o
-1 -13 1 232.20 218.69 24.74 o
0 -13 1 1.93 2.68 26.45 o
1 -13 1 911.08 902.81 47.74 o
2 -13 1 653.34 699.99 42.65 o
3 -13 1 98.43 77.60 41.07 o
4 -13 1 70.01 54.63 41.57 o
5 -13 1 1090.87 1213.77 74.44 o
6 -13 1 208.44 199.27 25.66 o
7 -13 1 296.67 244.54 27.70 o
8 -13 1 140.76 83.68 54.25 o
9 -13 1 120.60 114.20 29.74 o
10 -13 1 136.84 103.22 32.09 o
11 -13 1 43.03 20.23 66.96 o
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-1 -12 1 1580.43 1425.56 77.06 o
0 -12 1 42.21 36.12 19.25 o
1 -12 1 393.15 371.80 24.85 o
2 -12 1 112.20 138.90 19.03 o
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8 -12 1 99.83 75.40 53.17 o
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10 -12 1 37.27 -46.04 61.30 o
11 -12 1 252.44 302.26 36.14 o
-7 -11 1 245.50 245.74 33.67 o
-6 -11 1 17.45 10.02 55.17 o
-5 -11 1 106.01 123.02 26.74 o
-4 -11 1 53.44 55.37 34.25 o
-3 -11 1 817.48 821.36 44.77 o
-2 -11 1 17.52 42.57 18.49 o
-1 -11 1 399.00 396.08 24.97 o
0 -11 1 1415.32 1473.72 60.41 o
1 -11 1 1393.49 1512.60 70.16 o
2 -11 1 3.58 32.33 30.75 o
3 -11 1 910.11 935.40 59.45 o
4 -11 1 7.96 -8.55 35.18 o
5 -11 1 2125.87 2184.77 85.03 o
6 -11 1 68.39 43.04 20.81 o
7 -11 1 149.35 60.91 45.27 o
8 -11 1 69.88 65.38 42.46 o
9 -11 1 1463.16 1376.09 90.54 o
10 -11 1 20.56 24.66 51.82 o
11 -11 1 70.05 34.14 60.37 o
-7 -10 1 8.14 -57.79 58.02 o
-6 -10 1 216.62 188.17 30.75 o
-5 -10 1 602.37 599.08 32.67 o
-4 -10 1 30.94 17.07 44.12 o
-3 -10 1 86.32 6.13 45.04 o
-2 -10 1 22.16 38.34 33.52 o
-1 -10 1 1372.26 1339.84 67.73 o
0 -10 1 158.33 140.48 26.78 o
1 -10 1 18.09 12.25 32.36 o
2 -10 1 175.62 153.54 17.26 o
3 -10 1 6365.83 6448.01 123.48 o
4 -10 1 154.08 138.01 18.19 o
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6 -10 1 52.92 -17.76 41.46 o
7 -10 1 3118.88 3003.47 101.72 o
8 -10 1 6.60 -48.58 48.58 o
9 -10 1 932.01 868.28 54.33 o
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