#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:04:12 +0300 (Sun, 03 Apr 2016) $
#$Revision: 180953 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/33/2203357.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_2203357_Fobs
loop_
_publ_author_name
'Fischer, Andreas'
'Szab\'o, Zolt\'an'
_publ_section_title
;
 Sodium pentafluorouranate(IV) monohydrate, Na[UF~5~]·H~2~O
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i45
_journal_page_last               i46
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.9930
_cell_length_b                   8.7620
_cell_length_c                   15.0430
_exptl_crystal_F_000             1264.00
_reflns_d_resolution_high        0.7113
_cod_data_source_file            wm6010Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Compound X'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            514.38
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, 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 73469.32 71388.98 813.51 o
4 0 0 58218.87 58714.64 676.66 o
6 0 0 170575.69 175658.94 1995.59 o
8 0 0 10148.41 10142.67 193.67 o
3 1 0 53491.02 52596.25 411.19 o
5 1 0 230.72 229.00 22.69 o
7 1 0 10580.67 10352.40 112.98 o
9 1 0 20407.01 18754.84 618.88 o
0 2 0 122988.18 117004.43 1473.72 o
2 2 0 16097.72 15980.22 155.05 o
4 2 0 20983.94 20758.54 174.38 o
6 2 0 58062.15 57317.10 460.14 o
8 2 0 989.96 986.59 338.57 o
1 3 0 51016.43 49785.95 453.32 o
3 3 0 221005.03 222045.80 1987.17 o
5 3 0 28871.77 28736.23 373.30 o
7 3 0 43920.21 44312.21 594.51 o
9 3 0 68059.71 70450.14 1925.25 o
0 4 0 53826.70 50906.29 538.74 o
2 4 0 33802.22 32760.90 308.14 o
4 4 0 4979.40 4757.97 75.31 o
6 4 0 28315.55 27912.26 316.11 o
8 4 0 3736.88 3785.93 153.76 o
1 5 0 14508.94 14490.52 141.42 o
3 5 0 76040.83 74665.45 649.16 o
5 5 0 5219.40 5244.00 102.44 o
7 5 0 3125.00 3220.51 149.12 o
0 6 0 235401.55 233181.42 2414.20 o
2 6 0 25087.23 24754.99 245.85 o
4 6 0 47258.05 46415.53 421.66 o
6 6 0 95746.34 95533.48 3762.45 o
8 6 0 9048.93 9169.90 352.98 o
1 7 0 24254.07 24031.69 218.28 o
3 7 0 23581.39 23285.76 218.03 o
5 7 0 3388.62 3232.65 169.02 o
7 7 0 5805.15 4972.05 2225.96 o
0 8 0 52069.85 52240.61 703.85 o
2 8 0 8913.23 9225.84 133.07 o
4 8 0 7824.60 7963.23 267.60 o
6 8 0 33814.68 35196.13 1365.16 o
1 9 0 29115.08 28177.42 292.62 o
3 9 0 96705.18 94649.95 977.80 o
5 9 0 14000.75 13796.14 292.83 o
0 10 0 9903.10 9625.68 233.39 o
2 10 0 5541.89 5025.77 130.83 o
4 10 0 2282.63 2188.94 307.56 o
1 11 0 10959.28 10946.21 250.16 o
3 11 0 28581.77 29937.71 539.35 o
0 12 0 62055.89 61530.68 1683.02 o
2 12 0 15705.97 14676.98 408.39 o
2 1 1 167717.39 157803.14 1441.04 o
3 1 1 29139.68 29598.49 171.43 o
4 1 1 128168.02 127569.49 709.78 o
5 1 1 51.18 69.76 16.84 o
6 1 1 103.04 139.14 24.73 o
7 1 1 3934.47 3866.92 60.56 o
8 1 1 44128.38 42586.29 425.71 o
9 1 1 4377.15 3944.01 276.91 o
0 2 1 31491.23 30619.54 238.13 o
1 2 1 145813.19 141543.08 1256.76 o
2 2 1 14239.11 14991.24 103.79 o
3 2 1 5945.50 6273.43 57.33 o
4 2 1 3953.22 4383.03 42.64 o
5 2 1 103859.44 104604.61 574.69 o
6 2 1 7731.83 8585.21 116.36 o
7 2 1 45716.87 46899.09 371.54 o
8 2 1 981.57 1012.90 54.30 o
9 2 1 2373.24 2385.83 164.11 o
1 3 1 6.69 43.49 10.68 o
2 3 1 2279.81 2345.03 32.45 o
3 3 1 1408.41 1613.27 44.20 o
4 3 1 366.09 287.51 37.08 o
5 3 1 125.39 82.71 38.03 o
6 3 1 339.06 409.25 36.54 o
7 3 1 0.26 -11.39 34.40 o
8 3 1 176.02 58.01 75.84 o
9 3 1 34.99 495.17 345.12 o
0 4 1 37206.29 36859.88 322.89 o
1 4 1 195186.86 192543.16 1146.33 o
2 4 1 3919.54 3744.24 37.28 o
3 4 1 440.99 416.79 22.78 o
4 4 1 1052.37 1016.15 31.64 o
5 4 1 91587.59 91445.51 662.53 o
6 4 1 8408.35 8033.96 84.34 o
7 4 1 47576.98 47020.39 568.26 o
8 4 1 655.41 667.43 79.75 o
9 4 1 1917.95 1343.72 322.46 o
1 5 1 464.00 893.98 19.42 o
2 5 1 109957.65 112597.31 698.37 o
3 5 1 8193.42 10036.53 103.37 o
4 5 1 69969.86 71867.20 459.33 o
5 5 1 59.36 157.49 36.66 o
6 5 1 1384.87 1594.47 98.04 o
7 5 1 2219.80 2154.59 78.91 o
8 5 1 42283.57 42059.29 749.28 o
0 6 1 1175.96 1504.54 67.99 o
1 6 1 2669.74 2923.39 34.75 o
2 6 1 785.89 764.33 24.69 o
3 6 1 527.95 531.54 28.12 o
4 6 1 1.37 173.87 41.96 o
5 6 1 990.02 1120.76 50.45 o
6 6 1 27.55 918.90 366.87 o
7 6 1 309.86 228.69 156.96 o
8 6 1 2.41 298.57 322.46 o
1 7 1 2653.34 2634.63 98.60 o
2 7 1 89718.82 88791.93 544.54 o
3 7 1 8755.42 8460.05 73.81 o
4 7 1 61843.52 60958.29 453.06 o
5 7 1 973.34 995.70 46.09 o
6 7 1 1079.44 1221.56 96.72 o
7 7 1 1624.36 1109.40 926.67 o
8 7 1 38201.97 32960.06 1316.77 o
0 8 1 8187.93 8757.03 164.14 o
1 8 1 56251.03 55828.27 353.42 o
2 8 1 4835.11 4634.40 64.06 o
3 8 1 5.76 12.09 39.61 o
4 8 1 3146.25 3099.62 68.59 o
5 8 1 39293.67 40049.06 674.13 o
6 8 1 3083.55 3323.44 285.89 o
7 8 1 24171.55 24220.37 763.17 o
1 9 1 21.42 639.28 43.68 o
2 9 1 753.87 1082.92 50.05 o
3 9 1 938.48 2552.16 232.48 o
4 9 1 1390.66 1607.50 73.32 o
5 9 1 36.90 240.88 105.10 o
6 9 1 3.99 172.52 186.80 o
0 10 1 5067.84 5246.09 131.69 o
1 10 1 44039.72 44867.54 378.14 o
2 10 1 481.53 509.81 90.61 o
3 10 1 238.04 259.20 70.27 o
4 10 1 2198.51 2142.26 128.67 o
5 10 1 41679.00 42396.04 959.68 o
1 11 1 902.49 867.79 91.11 o
2 11 1 37031.98 36185.01 434.42 o
3 11 1 2737.29 2843.54 154.24 o
4 11 1 27906.64 26340.85 662.70 o
0 12 1 167.91 2063.05 318.78 o
1 12 1 1635.99 2072.61 163.72 o
2 12 1 3.38 336.19 180.60 o
2 0 2 48742.26 51541.54 419.52 o
3 0 2 722.16 874.33 28.46 o
4 0 2 59436.48 61328.80 500.31 o
5 0 2 30362.15 30767.11 276.64 o
6 0 2 90207.15 92531.50 756.48 o
7 0 2 21121.09 21398.38 209.53 o
8 0 2 8423.83 8178.47 170.86 o
9 0 2 825.24 1012.42 451.53 o
1 1 2 20084.27 20849.29 163.04 o
2 1 2 10523.63 9625.62 105.46 o
3 1 2 40062.48 38310.79 261.47 o
4 1 2 15821.37 15858.91 104.52 o
5 1 2 3653.66 3385.32 36.33 o
6 1 2 362.31 420.33 28.52 o
7 1 2 5006.34 4794.54 56.89 o
8 1 2 5978.63 5776.27 75.69 o
9 1 2 11697.85 11352.92 231.21 o
0 2 2 65499.66 63883.00 574.38 o
1 2 2 9767.63 9270.76 65.64 o
2 2 2 4497.68 4064.14 38.80 o
3 2 2 2739.91 2759.26 43.61 o
4 2 2 9553.00 9278.01 74.90 o
5 2 2 4421.63 4410.40 49.19 o
6 2 2 35205.13 34553.85 233.15 o
7 2 2 4248.89 4147.95 65.36 o
8 2 2 876.90 921.80 76.94 o
9 2 2 23.57 -200.43 174.56 o
1 3 2 19083.28 18062.46 112.57 o
2 3 2 102528.34 103481.74 639.65 o
3 3 2 198496.56 198177.14 1296.99 o
4 3 2 39890.68 40031.33 298.81 o
5 3 2 24271.84 24664.58 190.21 o
6 3 2 484.60 557.42 31.69 o
7 3 2 17992.78 18030.85 193.99 o
8 3 2 12987.83 12883.40 249.41 o
9 3 2 47191.64 47193.14 2134.03 o
0 4 2 11620.43 10798.82 113.23 o
1 4 2 13462.53 13795.53 90.69 o
2 4 2 7573.11 7741.65 61.50 o
3 4 2 3103.05 3022.74 33.32 o
4 4 2 5964.78 5845.83 57.42 o
5 4 2 7516.55 8237.87 268.32 o
6 4 2 17112.38 17241.80 148.52 o
7 4 2 1729.06 1909.85 103.78 o
8 4 2 1783.78 1890.04 129.92 o
9 4 2 68.18 149.39 132.97 o
1 5 2 10230.88 9863.54 76.65 o
2 5 2 12994.66 12968.83 91.73 o
3 5 2 41737.54 41029.14 253.29 o
4 5 2 15173.11 14764.73 129.91 o
5 5 2 3558.76 3533.35 63.09 o
6 5 2 670.96 609.37 63.12 o
7 5 2 3831.23 3794.04 157.79 o
8 5 2 5169.71 4596.20 387.81 o
0 6 2 109620.80 109748.26 995.27 o
1 6 2 21394.56 21302.89 151.82 o
2 6 2 17505.84 17462.77 121.46 o
3 6 2 212.19 230.47 21.59 o
4 6 2 33495.83 33329.72 227.26 o
5 6 2 27787.79 27325.45 357.90 o
6 6 2 61120.93 62065.06 1076.84 o
7 6 2 12201.38 12489.14 227.16 o
8 6 2 6687.57 7265.53 683.19 o
1 7 2 10381.73 10335.33 86.45 o
2 7 2 3326.10 5117.34 57.61 o
3 7 2 22885.43 23533.28 166.88 o
4 7 2 7726.03 8795.65 157.11 o
5 7 2 3946.54 4091.68 70.39 o
6 7 2 788.18 785.53 75.80 o
7 7 2 1840.66 2528.94 432.53 o
8 7 2 1689.28 985.74 831.10 o
0 8 2 39965.06 39454.45 343.93 o
1 8 2 14324.71 14050.97 111.07 o
2 8 2 9557.22 9199.74 97.63 o
3 8 2 38.71 49.01 40.75 o
4 8 2 5363.84 5418.30 96.23 o
5 8 2 4066.37 4135.48 184.17 o
6 8 2 21602.14 21404.38 428.71 o
7 8 2 3380.21 4861.96 1779.79 o
1 9 2 19520.63 18982.67 157.50 o
2 9 2 18723.12 18289.04 174.73 o
3 9 2 66125.46 65588.54 574.10 o
4 9 2 9943.83 9894.88 166.74 o
5 9 2 10522.95 10858.05 283.79 o
6 9 2 107.07 555.50 616.13 o
0 10 2 4004.65 4426.90 194.97 o
1 10 2 3017.97 3856.74 83.72 o
2 10 2 3576.33 3527.25 112.25 o
3 10 2 249.98 247.11 75.39 o
4 10 2 2630.43 2858.49 176.05 o
5 10 2 2223.06 3449.93 308.78 o
1 11 2 5828.20 6277.50 127.93 o
2 11 2 2912.51 3653.38 258.64 o
3 11 2 19732.73 20709.62 340.23 o
4 11 2 3555.13 3523.01 241.26 o
0 12 2 46595.52 46811.98 955.43 o
1 12 2 12435.34 11769.66 277.84 o
2 12 2 10683.83 10234.21 348.00 o
1 1 3 31865.83 30921.79 234.13 o
2 1 3 59093.26 56311.14 436.64 o
3 1 3 141392.47 141846.09 871.65 o
4 1 3 38777.19 38791.08 257.45 o
5 1 3 8091.75 8104.12 66.10 o
6 1 3 1050.28 1098.39 33.79 o
7 1 3 10994.18 10978.93 116.55 o
8 1 3 27425.64 26533.00 235.72 o
9 1 3 22306.28 22038.35 983.14 o
0 2 3 85932.00 87739.96 908.77 o
1 2 3 96108.60 96155.38 610.61 o
2 2 3 1236.37 1121.11 23.94 o
3 2 3 246.68 293.93 16.03 o
4 2 3 10929.42 11296.68 87.57 o
5 2 3 40060.26 41017.77 326.26 o
6 2 3 46632.27 47938.70 363.65 o
7 2 3 25951.45 26327.10 222.48 o
8 2 3 2593.24 2512.73 77.27 o
9 2 3 191.97 191.58 131.14 o
1 3 3 1.21 41.97 14.86 o
2 3 3 252.81 384.34 23.19 o
3 3 3 645.78 703.64 23.57 o
4 3 3 350.87 325.86 21.97 o
5 3 3 1668.91 1592.02 34.17 o
6 3 3 4.35 40.97 29.26 o
7 3 3 779.92 762.11 47.66 o
8 3 3 29.72 28.60 72.16 o
9 3 3 290.06 -155.16 198.47 o
0 4 3 108666.23 106481.20 905.51 o
1 4 3 76939.17 75127.52 455.70 o
2 4 3 13712.56 13348.96 99.27 o
3 4 3 29.77 82.87 18.54 o
4 4 3 6183.06 6072.63 74.48 o
5 4 3 40582.05 40264.50 308.09 o
6 4 3 40803.09 39956.17 310.41 o
7 4 3 25047.64 24544.63 323.91 o
8 4 3 4263.89 4467.97 122.98 o
9 4 3 297.51 621.04 177.74 o
1 5 3 20341.81 20703.58 136.91 o
2 5 3 35690.75 36960.48 234.40 o
3 5 3 34873.41 36239.97 247.90 o
4 5 3 24076.16 25616.99 172.87 o
5 5 3 8203.75 8088.64 84.61 o
6 5 3 1030.61 1194.83 75.07 o
7 5 3 9570.79 9802.43 319.02 o
8 5 3 21543.80 22362.19 313.24 o
0 6 3 503.39 836.71 49.03 o
1 6 3 40.76 97.11 23.50 o
2 6 3 690.57 607.31 23.86 o
3 6 3 417.90 428.19 25.68 o
4 6 3 993.27 862.89 32.94 o
5 6 3 503.46 661.87 119.98 o
6 6 3 781.18 998.48 139.85 o
7 6 3 88.98 473.88 232.56 o
8 6 3 1.48 -117.14 242.79 o
1 7 3 9365.57 9344.01 83.68 o
2 7 3 41761.82 41197.92 273.71 o
3 7 3 52061.06 51067.80 334.96 o
4 7 3 31926.26 31353.71 278.45 o
5 7 3 4882.45 4905.46 104.99 o
6 7 3 256.95 437.78 110.05 o
7 7 3 8090.38 8579.09 442.49 o
0 8 3 44210.95 44383.56 404.62 o
1 8 3 32498.19 32772.66 238.13 o
2 8 3 9472.91 9464.77 92.66 o
3 8 3 15.60 11.49 34.68 o
4 8 3 10094.98 10050.05 124.32 o
5 8 3 21136.32 21395.47 581.35 o
6 8 3 22035.81 22448.17 645.10 o
7 8 3 13658.98 18237.31 1775.50 o
1 9 3 131.59 418.70 56.02 o
2 9 3 1155.30 1812.10 117.25 o
3 9 3 2241.71 2901.05 129.29 o
4 9 3 1053.61 1326.20 101.26 o
5 9 3 3.88 114.96 113.07 o
6 9 3 15.87 83.87 176.37 o
0 10 3 32184.04 32249.60 386.07 o
1 10 3 23733.83 24387.36 264.76 o
2 10 3 5499.31 5444.99 105.56 o
3 10 3 222.18 192.04 85.61 o
4 10 3 11728.43 11739.28 247.07 o
5 10 3 22349.55 23132.71 555.07 o
1 11 3 7648.01 7336.01 159.68 o
2 11 3 16464.07 16640.27 272.87 o
3 11 3 14685.66 14444.78 351.48 o
4 11 3 13039.93 13011.72 350.15 o
0 12 3 1792.18 2367.31 227.89 o
1 12 3 545.31 1341.52 155.52 o
0 0 4 84244.52 87281.02 1387.50 o
1 0 4 175392.69 167167.98 4599.89 o
2 0 4 10518.16 10105.36 144.57 o
3 0 4 11966.67 12700.60 164.83 o
4 0 4 10188.33 10241.13 111.02 o
5 0 4 59828.84 62276.45 576.83 o
6 0 4 40798.60 42330.45 412.60 o
7 0 4 57981.67 59985.82 677.70 o
8 0 4 3320.41 3392.15 133.88 o
9 0 4 316.12 815.74 389.21 o
1 1 4 3722.52 3288.79 41.97 o
2 1 4 8355.87 8038.53 96.09 o
3 1 4 19202.05 18797.65 142.03 o
4 1 4 14991.40 14524.02 124.21 o
5 1 4 2846.60 2832.85 38.85 o
6 1 4 2390.18 2402.14 60.59 o
7 1 4 2696.39 2685.54 65.86 o
8 1 4 16234.80 15804.25 220.45 o
9 1 4 4247.54 3958.73 157.17 o
0 2 4 17193.74 16162.14 181.70 o
1 2 4 25724.62 24215.56 175.41 o
2 2 4 6353.08 6222.65 68.16 o
3 2 4 2086.59 2152.56 42.79 o
4 2 4 5147.96 5034.17 46.47 o
5 2 4 11985.52 11493.72 91.93 o
6 2 4 6444.89 6127.49 81.90 o
7 2 4 11942.77 11503.45 118.22 o
8 2 4 1670.57 1665.66 81.09 o
9 2 4 30.92 -200.06 133.38 o
1 3 4 42050.61 42373.02 268.92 o
2 3 4 125790.95 126923.13 809.18 o
3 3 4 49421.82 50191.02 333.23 o
4 3 4 55375.63 55702.73 394.74 o
5 3 4 9196.22 9238.56 136.51 o
6 3 4 2856.92 2789.56 86.46 o
7 3 4 11411.65 11035.07 160.16 o
8 3 4 38899.57 39116.03 530.47 o
9 3 4 15671.36 16202.96 1239.30 o
0 4 4 20792.26 21201.12 198.10 o
1 4 4 51499.95 51287.50 316.25 o
2 4 4 1414.70 1406.86 31.04 o
3 4 4 83.17 102.03 30.72 o
4 4 4 3813.69 3932.95 76.20 o
5 4 4 12810.43 12765.09 141.53 o
6 4 4 6083.09 6239.17 133.52 o
7 4 4 6827.18 6793.78 212.02 o
8 4 4 585.22 916.27 104.31 o
9 4 4 20.42 470.06 271.93 o
1 5 4 5125.14 4938.97 46.22 o
2 5 4 30303.39 29319.74 209.16 o
3 5 4 14750.51 14479.74 119.81 o
4 5 4 35163.75 34901.46 244.47 o
5 5 4 2160.55 2111.37 82.44 o
6 5 4 258.60 253.81 46.59 o
7 5 4 4271.61 4145.28 109.20 o
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0 6 4 50247.00 50067.43 502.11 o
1 6 4 64149.52 64612.93 438.14 o
2 6 4 10209.50 9827.99 81.47 o
3 6 4 9.03 62.97 40.89 o
4 6 4 9416.43 9308.81 86.58 o
5 6 4 60332.80 59782.72 749.98 o
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8 6 4 2210.35 929.09 1266.55 o
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5 7 4 1428.46 1549.03 96.12 o
6 7 4 220.34 163.21 107.61 o
7 7 4 1028.68 1438.82 266.94 o
0 8 4 13040.37 13190.02 166.48 o
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2 8 4 2289.02 2296.20 54.59 o
3 8 4 448.20 444.92 46.43 o
4 8 4 3295.35 3336.40 66.16 o
5 8 4 12678.01 13153.47 238.37 o
6 8 4 6321.58 6497.26 289.79 o
7 8 4 8816.77 9088.27 487.36 o
1 9 4 7361.50 7203.39 87.69 o
2 9 4 44986.74 44836.42 378.53 o
3 9 4 24366.24 23616.99 241.40 o
4 9 4 27734.50 28000.64 575.39 o
5 9 4 3369.98 3697.26 196.36 o
6 9 4 203.93 -108.08 149.67 o
0 10 4 6090.06 7420.89 204.37 o
1 10 4 8893.00 9055.27 147.27 o
2 10 4 272.86 412.24 69.56 o
3 10 4 85.48 36.50 117.73 o
4 10 4 608.93 908.36 181.91 o
5 10 4 4891.64 4731.15 340.97 o
1 11 4 1972.45 2171.39 115.42 o
2 11 4 10618.44 11096.50 219.20 o
3 11 4 6186.50 6671.11 208.46 o
4 11 4 11627.47 12031.77 260.06 o
0 12 4 16895.87 16692.46 447.97 o
1 12 4 30046.80 30010.74 433.40 o
1 1 5 38432.17 37698.92 306.48 o
2 1 5 46821.30 48202.99 386.62 o
3 1 5 203839.44 199969.89 1358.40 o
4 1 5 18696.21 18243.59 142.96 o
5 1 5 16560.01 16177.94 133.95 o
6 1 5 165.27 87.19 49.24 o
7 1 5 18318.26 18268.97 159.26 o
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