#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:30:30 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181058 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/38/2213816.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_2213816_Fobs
loop_
_publ_author_name
'Mao, Bin'
'Lv, Jing'
'Wu, Jun'
'Yu, Qing-sen'
_publ_section_title
;
 2-(4,6-Dimethoxypyrimidine-2-ylsulfanyl)-<i>N</i>-(3-nitrophenyl)benzamide
;
_journal_coeditor_code           HG2230
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2930
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cod_data_source_file            hg2230Isup2.hkl
_cod_data_source_block           I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_F_squared_calc
_refln_observed_status
-8 0 -10 541.96 1.59 432.22 o
-6 0 -10 906.01 0.83 907.64 o
-4 0 -10 654.85 1.08 593.15 o
-2 0 -10 268.63 2.13 242.41 o
0 0 -10 640.60 3.88 576.47 o
2 0 -10 1657.30 0.46 1687.08 o
4 0 -10 280.56 2.07 335.12 o
6 0 -10 1138.39 0.56 1150.69 o
8 0 -10 727.92 0.81 562.20 o
-9 1 -10 625.00 1.39 512.11 o
-7 1 -10 454.97 1.72 438.94 o
-5 1 -10 541.49 1.25 568.76 o
-3 1 -10 647.19 0.98 629.54 o
-1 1 -10 375.58 6.15 306.30 o
1 1 -10 1057.55 0.62 1087.61 o
3 1 -10 606.14 1.06 634.16 o
5 1 -10 387.70 1.51 400.32 o
7 1 -10 679.12 1.39 656.36 o
-8 2 -10 68.23 10.96 77.18 o
-6 2 -10 136.19 5.11 13.37 o
-4 2 -10 27.88 22.00 23.77 o
-2 2 -10 61.15 15.44 30.72 o
0 2 -10 436.39 4.80 394.82 o
2 2 -10 298.60 1.99 265.87 o
4 2 -10 292.07 1.82 268.12 o
6 2 -10 67.90 21.44 12.54 o
8 2 -10 58.37 24.40 82.10 o
-7 3 -10 254.08 2.92 209.92 o
-5 3 -10 400.00 1.80 300.69 o
-3 3 -10 152.28 6.76 111.43 o
-1 3 -10 33.87 25.20 59.71 o
1 3 -10 454.54 1.69 414.25 o
3 3 -10 598.78 4.20 554.59 o
5 3 -10 177.42 4.00 100.08 o
7 3 -10 221.71 2.59 202.00 o
-6 4 -10 779.53 1.64 796.27 o
-4 4 -10 382.59 7.08 345.30 o
-2 4 -10 179.02 4.67 288.84 o
0 4 -10 549.90 1.14 493.55 o
2 4 -10 347.45 1.72 372.30 o
4 4 -10 -25.00 21.44 0.54 o
6 4 -10 377.91 1.46 299.89 o
-5 5 -10 306.25 2.40 273.42 o
-3 5 -10 198.81 3.35 177.31 o
-1 5 -10 474.80 1.44 557.85 o
1 5 -10 1360.13 1.46 1230.02 o
3 5 -10 609.60 0.98 629.54 o
5 5 -10 984.70 1.66 1077.01 o
-2 6 -10 232.26 10.82 169.44 o
0 6 -10 131.56 4.41 122.37 o
2 6 -10 70.73 6.35 2.67 o
-13 1 -9 1457.71 1.66 1389.76 o
-11 1 -9 273.57 3.42 353.90 o
-9 1 -9 322.20 2.02 311.96 o
-7 1 -9 122.10 8.76 168.24 o
-5 1 -9 732.78 0.74 748.97 o
-3 1 -9 14.44 59.14 62.59 o
-1 1 -9 133.86 3.31 209.92 o
1 1 -9 657.92 0.74 693.40 o
3 1 -9 863.18 1.46 806.69 o
5 1 -9 528.08 1.37 519.42 o
7 1 -9 242.11 1.72 203.97 o
9 1 -9 113.00 8.47 77.58 o
11 1 -9 1288.09 0.67 1144.45 o
13 1 -9 225.90 2.07 205.94 o
-12 2 -9 693.80 3.96 630.69 o
-10 2 -9 19.18 34.57 89.34 o
-8 2 -9 178.76 3.28 104.74 o
-6 2 -9 1467.66 0.46 1490.99 o
-4 2 -9 1066.68 2.10 1158.50 o
-2 2 -9 513.02 1.74 526.79 o
0 2 -9 1164.86 0.44 1149.13 o
2 2 -9 1732.22 0.32 1775.10 o
4 2 -9 928.42 0.59 958.22 o
6 2 -9 919.30 1.99 928.55 o
8 2 -9 761.21 0.61 703.12 o
10 2 -9 1469.96 0.48 1533.92 o
12 2 -9 1474.56 0.41 1275.60 o
-11 3 -9 257.28 5.90 236.01 o
-9 3 -9 279.56 2.22 320.13 o
-7 3 -9 528.54 1.14 561.11 o
-5 3 -9 1257.41 0.50 1338.79 o
-3 3 -9 698.02 0.74 681.34 o
-1 3 -9 309.76 1.49 295.92 o
1 3 -9 798.63 1.10 787.21 o
3 3 -9 382.20 1.17 409.58 o
5 3 -9 197.96 8.64 171.84 o
7 3 -9 904.20 0.50 838.35 o
9 3 -9 1443.24 0.37 1431.21 o
11 3 -9 1208.26 0.44 1166.34 o
-10 4 -9 112.57 5.71 62.59 o
-8 4 -9 12.60 179.02 5.61 o
-6 4 -9 196.28 2.72 164.68 o
-4 4 -9 635.04 2.07 613.49 o
-2 4 -9 635.54 0.83 792.38 o
0 4 -9 173.71 2.37 158.25 o
2 4 -9 161.80 5.15 187.24 o
4 4 -9 188.79 2.19 240.98 o
6 4 -9 420.66 1.96 470.32 o
8 4 -9 367.87 1.10 367.88 o
10 4 -9 226.80 1.39 263.62 o
-9 5 -9 -19.10 53.00 70.85 o
-7 5 -9 60.37 9.86 68.17 o
-5 5 -9 98.41 8.53 33.32 o
-3 5 -9 223.20 2.28 243.13 o
-1 5 -9 194.32 2.37 195.52 o
1 5 -9 80.10 5.15 40.00 o
3 5 -9 33.41 49.42 9.64 o
5 5 -9 66.10 5.71 37.42 o
7 5 -9 133.63 2.82 125.95 o
9 5 -9 175.56 2.72 160.57 o
-8 6 -9 106.50 5.62 67.79 o
-6 6 -9 532.22 1.72 498.67 o
-4 6 -9 483.56 1.85 543.81 o
-2 6 -9 69.06 6.76 78.40 o
0 6 -9 285.27 5.06 215.96 o
2 6 -9 948.64 0.56 1013.08 o
4 6 -9 672.88 1.06 633.01 o
6 6 -9 585.16 0.72 634.16 o
8 6 -9 176.89 2.10 192.95 o
-7 7 -9 267.32 2.25 226.22 o
-5 7 -9 1352.77 0.83 1328.71 o
-3 7 -9 722.53 2.50 720.30 o
-1 7 -9 122.77 3.80 100.54 o
1 7 -9 66.42 6.76 71.24 o
3 7 -9 427.25 1.02 369.65 o
5 7 -9 402.40 1.44 393.00 o
7 7 -9 762.31 4.08 746.46 o
-6 8 -9 312.23 1.93 264.37 o
-4 8 -9 932.08 0.71 902.11 o
-2 8 -9 445.63 1.77 485.40 o
0 8 -9 352.31 2.79 430.31 o
2 8 -9 359.48 1.35 365.24 o
4 8 -9 65.61 13.18 71.24 o
-1 9 -9 417.38 1.00 470.32 o
-14 0 -8 619.51 1.12 776.92 o
-12 0 -8 2167.83 0.40 2092.39 o
-10 0 -8 1947.46 0.35 2130.43 o
-8 0 -8 68.39 6.86 164.09 o
-6 0 -8 1102.90 0.45 1101.30 o
-4 0 -8 6854.18 0.40 7621.24 o
-2 0 -8 6176.39 0.13 6549.55 o
0 0 -8 3596.40 0.16 3523.29 o
2 0 -8 715.56 0.49 740.19 o
6 0 -8 2734.24 0.18 2637.24 o
8 0 -8 3079.14 0.18 3250.32 o
10 0 -8 4356.00 0.16 4618.36 o
12 0 -8 2896.59 0.20 2930.80 o
14 0 -8 105.27 3.61 58.65 o
-15 1 -8 209.96 4.75 236.71 o
-13 1 -8 492.84 1.32 561.11 o
-11 1 -8 965.97 0.64 1044.06 o
-9 1 -8 177.16 2.62 168.84 o
-7 1 -8 390.85 1.12 437.98 o
-5 1 -8 2248.66 0.38 2555.22 o
-3 1 -8 2354.19 0.23 2691.85 o
-1 1 -8 696.96 2.69 662.27 o
1 1 -8 129.05 2.59 49.52 o
3 1 -8 235.32 6.05 240.27 o
5 1 -8 317.55 1.59 349.59 o
7 1 -8 561.22 0.66 466.34 o
9 1 -8 2452.23 0.37 2630.16 o
11 1 -8 2271.48 0.45 2361.41 o
13 1 -8 688.54 0.74 646.97 o
15 1 -8 576.00 1.14 547.03 o
-14 2 -8 122.32 5.06 105.21 o
-12 2 -8 51.27 15.13 30.72 o
-10 2 -8 191.55 2.66 265.12 o
-8 2 -8 313.64 1.46 365.24 o
-6 2 -8 114.28 3.76 123.39 o
-4 2 -8 136.89 2.92 172.44 o
-2 2 -8 442.68 0.86 501.75 o
0 2 -8 1285.94 2.28 1460.95 o
2 2 -8 334.52 1.02 329.25 o
4 2 -8 502.66 0.72 498.67 o
6 2 -8 463.97 1.06 404.01 o
8 2 -8 152.03 2.25 176.09 o
10 2 -8 344.84 1.02 312.77 o
12 2 -8 78.68 4.54 46.34 o
14 2 -8 298.94 1.32 259.90 o
-15 3 -8 89.30 7.67 72.80 o
-13 3 -8 44.89 17.47 11.74 o
-11 3 -8 71.74 13.18 48.88 o
-9 3 -8 271.26 4.93 210.59 o
-7 3 -8 179.56 2.40 177.92 o
-5 3 -8 2070.25 0.42 2222.70 o
-3 3 -8 2271.48 0.59 2625.45 o
-1 3 -8 423.12 0.85 502.78 o
1 3 -8 1296.72 0.66 1292.08 o
3 3 -8 59.44 5.62 26.30 o
5 3 -8 153.02 3.06 171.84 o
7 3 -8 1360.87 0.62 1475.05 o
9 3 -8 192.10 7.56 211.92 o
11 3 -8 534.53 0.56 532.08 o
13 3 -8 159.01 2.25 135.95 o
15 3 -8 87.24 12.67 40.29 o
-14 4 -8 262.76 4.12 209.92 o
-12 4 -8 574.56 1.08 548.11 o
-10 4 -8 274.23 2.89 263.62 o
-8 4 -8 507.15 0.92 526.79 o
-6 4 -8 912.64 0.53 941.21 o
-4 4 -8 2594.88 0.35 2795.44 o
-2 4 -8 821.40 0.83 893.84 o
0 4 -8 510.76 1.04 419.88 o
2 4 -8 699.07 0.77 755.28 o
4 4 -8 710.22 0.69 756.55 o
6 4 -8 2671.86 1.59 2623.09 o
8 4 -8 3398.89 0.92 3466.19 o
10 4 -8 885.06 1.49 892.47 o
12 4 -8 874.38 1.61 871.97 o
14 4 -8 294.81 10.37 278.00 o
-13 5 -8 789.05 0.85 798.87 o
-11 5 -8 610.09 1.54 566.57 o
-9 5 -8 87.98 13.18 89.34 o
-7 5 -8 1239.74 2.22 1417.33 o
-5 5 -8 1881.82 0.44 2033.89 o
-3 5 -8 1731.39 0.31 1827.81 o
-1 5 -8 1203.40 0.31 1230.02 o
1 5 -8 1115.56 0.36 1231.64 o
3 5 -8 1104.23 0.36 1089.12 o
5 5 -8 310.11 6.81 236.71 o
7 5 -8 40.20 7.18 33.85 o
9 5 -8 1488.42 0.66 1555.61 o
11 5 -8 1935.12 1.44 1891.28 o
13 5 -8 387.70 0.88 427.46 o
-12 6 -8 439.74 1.39 431.27 o
-10 6 -8 68.56 15.52 82.52 o
-8 6 -8 91.78 4.80 43.26 o
-6 6 -8 485.76 0.96 503.82 o
-4 6 -8 56.70 7.08 8.00 o
-2 6 -8 309.06 1.21 323.43 o
0 6 -8 1126.94 0.94 1142.90 o
2 6 -8 3007.43 0.18 2988.35 o
4 6 -8 1580.86 0.26 1655.12 o
6 6 -8 53.14 8.18 19.29 o
8 6 -8 63.04 43.96 91.97 o
10 6 -8 1156.68 2.99 1215.55 o
12 6 -8 464.83 1.66 451.56 o
-11 7 -8 18.92 28.94 47.60 o
-9 7 -8 35.52 18.32 14.57 o
-7 7 -8 21.53 33.18 40.88 o
-5 7 -8 357.21 1.23 414.25 o
-3 7 -8 62.57 6.55 73.98 o
-1 7 -8 367.49 1.10 386.64 o
1 7 -8 112.36 3.10 73.59 o
3 7 -8 108.37 2.89 77.18 o
5 7 -8 687.49 0.50 724.01 o
7 7 -8 1015.06 0.69 1048.52 o
9 7 -8 81.36 3.50 77.99 o
11 7 -8 96.63 7.45 19.91 o
-10 8 -8 10.43 51.70 4.38 o
-8 8 -8 196.28 11.49 164.68 o
-6 8 -8 398.00 6.81 382.13 o
-4 8 -8 929.03 2.22 968.21 o
-2 8 -8 50.27 5.95 48.88 o
0 8 -8 394.82 4.45 342.74 o
2 8 -8 1151.24 2.02 1180.52 o
4 8 -8 64.00 15.13 67.41 o
6 8 -8 535.46 0.69 500.72 o
8 8 -8 848.56 0.36 861.14 o
10 8 -8 329.42 2.28 323.43 o
-7 9 -8 931.47 2.56 941.21 o
-5 9 -8 607.13 0.86 695.82 o
-3 9 -8 306.60 2.76 352.17 o
-1 9 -8 109.41 3.35 68.55 o
1 9 -8 457.96 0.83 438.94 o
3 9 -8 1437.93 0.52 1382.91 o
5 9 -8 268.96 1.00 293.55 o
-6 10 -8 214.62 2.43 256.94 o
-4 10 -8 23.43 18.84 61.86 o
-2 10 -8 470.89 0.94 427.46 o
0 10 -8 531.30 0.74 505.88 o
2 10 -8 663.58 0.56 680.14 o
4 10 -8 1456.19 0.74 1332.07 o
-17 1 -7 449.44 1.64 378.54 o
-15 1 -7 110.88 4.75 104.74 o
-13 1 -7 498.63 1.06 520.47 o
-11 1 -7 79.57 7.02 46.34 o
-9 1 -7 595.85 3.10 572.06 o
-7 1 -7 4083.21 0.16 4102.26 o
-5 1 -7 774.51 0.53 827.73 o
-3 1 -7 1162.13 0.29 1098.25 o
-1 1 -7 1678.54 0.83 1808.20 o
1 1 -7 4358.64 0.12 4722.09 o
3 1 -7 4842.77 0.15 5231.36 o
5 1 -7 5100.82 0.16 5248.00 o
7 1 -7 1330.06 0.69 1439.93 o
9 1 -7 2023.20 0.58 2002.90 o
11 1 -7 1852.44 0.35 2000.84 o
13 1 -7 182.79 1.64 202.65 o
15 1 -7 1670.36 0.88 1544.75 o
17 1 -7 249.01 1.93 239.55 o
-16 2 -7 344.47 4.71 337.65 o
-14 2 -7 1008.06 0.58 928.55 o
-12 2 -7 1503.89 0.36 1523.13 o
-10 2 -7 363.28 1.21 370.53 o
-8 2 -7 2038.52 0.67 2201.07 o
-6 2 -7 598.78 0.56 633.01 o
-4 2 -7 2642.99 0.59 3064.26 o
-2 2 -7 803.72 0.53 896.59 o
0 2 -7 4053.87 0.34 4214.97 o
2 2 -7 6978.93 0.14 7330.93 o
4 2 -7 11174.60 0.08 11783.03 o
6 2 -7 4041.14 1.06 4280.92 o
8 2 -7 2504.00 0.16 2536.65 o
10 2 -7 1190.25 0.27 1239.72 o
12 2 -7 2338.69 0.85 2431.21 o
14 2 -7 1553.94 0.55 1784.81 o
16 2 -7 996.66 0.44 1089.12 o
-17 3 -7 564.06 1.21 523.62 o
-15 3 -7 327.61 1.64 296.71 o
-13 3 -7 479.17 1.00 420.83 o
-11 3 -7 685.39 0.66 695.82 o
-9 3 -7 223.50 1.69 166.46 o
-7 3 -7 1435.65 1.37 1424.26 o
-5 3 -7 611.08 0.55 692.19 o
-3 3 -7 3219.43 0.36 3420.31 o
-1 3 -7 1795.22 0.49 1871.33 o
1 3 -7 2755.20 0.77 3036.31 o
3 3 -7 3559.32 0.56 3714.20 o
5 3 -7 1553.94 0.18 1617.90 o
7 3 -7 1657.30 0.25 1647.64 o
9 3 -7 941.88 0.31 986.90 o
11 3 -7 490.62 5.02 458.43 o
13 3 -7 921.12 0.94 981.13 o
15 3 -7 1089.00 1.32 1105.88 o
17 3 -7 673.92 1.46 681.34 o
-16 4 -7 446.48 1.49 434.14 o
-14 4 -7 249.64 3.96 335.12 o
-12 4 -7 177.96 4.04 85.05 o
-10 4 -7 123.21 3.10 134.35 o
-8 4 -7 167.44 2.13 201.35 o
-6 4 -7 1089.00 0.56 1141.34 o
-4 4 -7 696.43 0.76 771.80 o
-2 4 -7 2574.55 0.27 2761.50 o
0 4 -7 133.40 6.35 167.05 o
2 4 -7 502.66 3.24 459.41 o
4 4 -7 680.69 0.59 747.72 o
6 4 -7 2837.69 1.25 3023.65 o
8 4 -7 2158.53 0.32 2297.04 o
10 4 -7 1343.22 0.74 1476.81 o
12 4 -7 653.82 0.42 667.01 o
14 4 -7 154.50 6.81 111.92 o
16 4 -7 159.52 4.54 145.22 o
-15 5 -7 117.51 4.41 41.47 o
-13 5 -7 46.38 9.92 42.36 o
-11 5 -7 309.76 2.28 278.00 o
-9 5 -7 683.82 0.88 714.14 o
-7 5 -7 79.21 4.16 62.22 o
-5 5 -7 710.76 1.00 711.69 o
-3 5 -7 143.04 2.25 124.92 o
-1 5 -7 321.84 0.96 337.65 o
1 5 -7 1040.71 0.28 1045.55 o
3 5 -7 2193.99 0.17 2332.45 o
5 5 -7 2246.76 0.16 2299.24 o
7 5 -7 1714.79 1.72 1806.25 o
9 5 -7 21.90 21.90 19.09 o
11 5 -7 109.20 10.89 114.85 o
13 5 -7 173.45 1.30 154.80 o
15 5 -7 585.64 1.06 513.15 o
-14 6 -7 255.36 1.99 247.45 o
-12 6 -7 359.86 1.59 370.53 o
-10 6 -7 52.56 22.09 76.78 o
-8 6 -7 649.23 2.50 665.82 o
-6 6 -7 682.25 1.54 711.69 o
-4 6 -7 1023.36 0.53 1142.90 o
-2 6 -7 1069.29 0.88 1128.95 o
0 6 -7 1354.24 0.25 1367.56 o
2 6 -7 716.10 1.96 709.23 o
4 6 -7 4196.45 0.31 4295.98 o
6 6 -7 1643.49 0.19 1730.81 o
8 6 -7 514.38 1.12 505.88 o
10 6 -7 1138.39 0.44 1223.58 o
12 6 -7 537.78 0.62 541.67 o
14 6 -7 304.85 2.02 256.94 o
-13 7 -7 590.49 1.66 488.45 o
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-7 7 -7 628.50 0.66 639.97 o
-5 7 -7 1379.38 0.30 1325.36 o
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-1 7 -7 2503.00 0.18 2587.87 o
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3 7 -7 1990.94 0.18 1972.14 o
5 7 -7 772.84 1.72 720.30 o
7 7 -7 892.81 0.59 952.53 o
9 7 -7 605.16 0.58 649.31 o
11 7 -7 392.83 0.53 417.06 o
13 7 -7 589.03 1.19 465.35 o
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2 8 -7 845.65 1.30 843.68 o
4 8 -7 354.57 0.69 445.72 o
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8 8 -7 624.00 0.31 642.30 o
10 8 -7 415.34 1.59 367.00 o
12 8 -7 611.08 1.19 637.64 o
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-7 9 -7 27.46 13.76 14.75 o
-5 9 -7 84.09 17.06 92.85 o
-3 9 -7 470.46 0.76 481.36 o
-1 9 -7 148.60 6.10 179.15 o
1 9 -7 392.44 0.72 411.44 o
3 9 -7 21.07 14.44 16.57 o
5 9 -7 2406.88 0.32 2476.78 o
7 9 -7 617.03 0.23 657.54 o
9 9 -7 -13.18 47.61 70.85 o
11 9 -7 248.69 11.90 222.09 o
-10 10 -7 260.18 1.69 220.72 o
-8 10 -7 316.13 2.34 346.15 o
-6 10 -7 258.89 1.54 257.68 o
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0 10 -7 577.44 3.39 601.02 o
2 10 -7 143.04 2.02 142.46 o
4 10 -7 119.25 2.16 102.86 o
6 10 -7 177.96 3.39 55.52 o
8 10 -7 69.06 9.86 45.41 o
10 10 -7 250.27 2.99 78.80 o
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-5 11 -7 749.66 3.53 834.36 o
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-1 11 -7 701.72 0.50 726.49 o
1 11 -7 235.32 1.10 204.62 o
3 11 -7 -23.91 22.94 22.23 o
5 11 -7 360.24 1.85 268.88 o
7 11 -7 166.93 4.16 56.55 o
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0 12 -7 170.30 2.07 146.89 o
2 12 -7 184.69 3.03 181.00 o
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-10 0 -6 17405.52 0.10 17669.68 o
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