#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:56:59 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181898 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/98/2239825.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2239825
_cell_angle_alpha                90.000
_cell_angle_beta                 101.737
_cell_angle_gamma                90.000
_cell_length_a                   8.6367
_cell_length_b                   13.2598
_cell_length_c                   13.4188
_exptl_crystal_F_000             796.00
_reflns_d_resolution_high        0.8301
_cod_data_source_file            bx2463Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' datos_0m in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            348.38
_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, -y, -z'
'x-1/2, -y-1/2, 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 121370.95 125191.40 2225.84 o
4 0 0 31793.99 32246.02 600.68 o
6 0 0 10229.02 9779.43 238.26 o
8 0 0 4890.81 4857.51 215.95 o
10 0 0 803.17 714.53 144.27 o
2 1 0 163.74 237.06 22.40 o
3 1 0 1139.79 1206.74 33.81 o
4 1 0 564.45 697.22 30.57 o
5 1 0 10.75 6.16 26.06 o
6 1 0 995.58 994.10 48.41 o
7 1 0 30.62 -10.54 39.05 o
8 1 0 1036.08 914.66 76.83 o
9 1 0 35.63 51.14 70.19 o
10 1 0 545.23 502.19 93.82 o
0 2 0 195.09 94.93 199.33 o
1 2 0 12.12 25.06 14.11 o
2 2 0 11472.96 11582.39 157.27 o
3 2 0 22.46 12.99 22.55 o
4 2 0 365.20 239.00 27.86 o
5 2 0 349.29 398.93 35.45 o
6 2 0 774.33 697.55 54.53 o
7 2 0 312.62 216.26 45.23 o
8 2 0 205.71 246.27 61.93 o
9 2 0 171.34 133.50 75.75 o
10 2 0 70.47 126.36 81.80 o
1 3 0 99638.73 105191.87 1324.19 o
2 3 0 56.91 73.60 22.04 o
3 3 0 18842.96 19257.10 248.31 o
4 3 0 177.81 188.34 27.50 o
5 3 0 9523.24 9343.22 151.65 o
6 3 0 321.29 279.70 36.35 o
7 3 0 3723.19 3739.45 108.77 o
8 3 0 322.52 309.91 69.69 o
9 3 0 897.48 1030.75 105.66 o
10 3 0 133.02 69.22 78.86 o
0 4 0 62368.93 66694.62 1195.75 o
1 4 0 6.59 12.05 19.07 o
2 4 0 5403.23 5677.59 101.20 o
3 4 0 441.40 475.43 29.12 o
4 4 0 2338.24 2052.81 54.29 o
5 4 0 468.73 440.02 35.49 o
6 4 0 624.63 531.43 40.73 o
7 4 0 624.63 641.77 61.13 o
8 4 0 637.23 635.59 86.10 o
9 4 0 242.80 318.56 83.42 o
1 5 0 561.78 481.75 26.53 o
2 5 0 2.57 7.20 23.43 o
3 5 0 5661.33 5511.58 93.90 o
4 5 0 75.09 73.25 26.80 o
5 5 0 1487.18 1512.33 54.80 o
6 5 0 5.73 -12.13 32.11 o
7 5 0 355.10 320.33 47.75 o
8 5 0 0.03 1.57 60.69 o
9 5 0 29.52 184.38 80.84 o
0 6 0 54477.35 59467.50 1195.58 o
1 6 0 345.33 394.87 27.48 o
2 6 0 10358.42 10987.34 153.89 o
3 6 0 728.92 711.62 37.51 o
4 6 0 5384.25 5639.46 104.77 o
5 6 0 1666.84 1474.27 55.74 o
6 6 0 1825.42 1926.50 72.02 o
7 6 0 951.86 868.05 87.75 o
8 6 0 1006.63 1138.45 164.51 o
9 6 0 387.10 380.16 91.43 o
1 7 0 26006.85 26585.84 371.92 o
2 7 0 245.79 242.73 29.13 o
3 7 0 9126.46 9171.71 156.29 o
4 7 0 212.04 205.45 34.20 o
5 7 0 6394.43 6284.69 114.05 o
6 7 0 94.02 64.96 36.10 o
7 7 0 2342.39 2439.36 167.03 o
8 7 0 153.64 204.32 71.25 o
9 7 0 534.66 558.96 116.99 o
0 8 0 480.13 517.46 48.31 o
1 8 0 1.77 -10.50 27.50 o
2 8 0 519.49 492.28 36.67 o
3 8 0 442.32 460.70 37.66 o
4 8 0 1.67 79.21 33.27 o
5 8 0 269.37 320.19 40.76 o
6 8 0 61.49 65.63 41.55 o
7 8 0 201.73 35.04 64.05 o
8 8 0 20.86 14.48 113.78 o
1 9 0 1126.82 1144.25 53.44 o
2 9 0 207.02 167.41 33.25 o
3 9 0 186.23 189.65 33.43 o
4 9 0 77.24 123.52 35.70 o
5 9 0 39.63 71.34 44.85 o
6 9 0 117.13 83.35 63.62 o
7 9 0 7.87 24.24 65.38 o
8 9 0 177.38 286.33 104.38 o
0 10 0 24521.04 22719.94 450.45 o
1 10 0 53.37 61.47 32.66 o
2 10 0 8476.71 8555.59 157.80 o
3 10 0 40.76 67.83 33.70 o
4 10 0 3688.15 3637.64 124.41 o
5 10 0 333.77 397.78 66.33 o
6 10 0 1743.55 1644.59 107.42 o
7 10 0 59.92 84.37 84.58 o
1 11 0 1107.31 1205.96 56.08 o
2 11 0 167.30 133.63 41.81 o
3 11 0 280.81 348.21 44.33 o
4 11 0 266.56 168.14 61.19 o
5 11 0 470.93 508.96 72.22 o
6 11 0 83.93 49.39 74.38 o
7 11 0 98.79 -59.75 95.41 o
0 12 0 4.06 42.61 49.82 o
1 12 0 59.97 89.82 38.63 o
2 12 0 329.30 285.55 61.80 o
3 12 0 0.09 -57.66 57.66 o
4 12 0 6.14 20.83 60.65 o
5 12 0 42.17 49.50 73.97 o
6 12 0 4.86 54.96 74.46 o
1 13 0 7159.12 7145.05 360.60 o
2 13 0 54.77 61.61 72.96 o
3 13 0 2710.21 2873.89 145.30 o
4 13 0 58.42 24.76 73.11 o
5 13 0 1727.29 1840.55 195.08 o
0 14 0 3487.74 2694.85 224.89 o
1 14 0 2.11 -78.24 81.13 o
2 14 0 1210.93 1011.24 117.28 o
3 14 0 85.02 115.31 90.73 o
4 14 0 728.44 748.78 114.06 o
1 15 0 19.26 -21.27 89.29 o
2 15 0 0.93 -88.32 88.32 o
3 15 0 212.06 313.62 102.39 o
-9 0 1 699.28 670.24 133.48 o
-7 0 1 105.01 134.58 54.56 o
-5 0 1 422.22 562.24 54.77 o
-3 0 1 21.96 -5.79 32.09 o
-1 0 1 418.82 437.46 31.91 o
1 0 1 126.34 61.98 39.97 o
3 0 1 5264.13 5255.29 108.81 o
5 0 1 2624.66 2941.24 118.28 o
7 0 1 33.29 -32.05 58.31 o
9 0 1 3.27 -93.92 93.92 o
-10 1 1 192.91 255.75 87.66 o
-9 1 1 244.43 218.27 79.00 o
-8 1 1 140.38 307.49 61.94 o
-7 1 1 2060.97 2059.27 72.08 o
-6 1 1 199.96 183.38 35.81 o
-5 1 1 8829.36 8487.19 134.14 o
-4 1 1 6581.33 6500.35 101.31 o
-3 1 1 14880.80 15091.70 205.59 o
-2 1 1 81.59 151.31 20.88 o
-1 1 1 9878.80 10813.71 187.38 o
0 1 1 6170.79 3277.54 564.55 o
1 1 1 13854.08 13498.77 228.38 o
2 1 1 2039.24 2179.16 39.64 o
3 1 1 10580.35 9963.82 130.21 o
4 1 1 6648.99 7125.12 102.16 o
5 1 1 2491.69 2417.67 70.76 o
6 1 1 4455.77 4429.20 99.01 o
7 1 1 610.76 613.03 52.47 o
8 1 1 3828.94 3610.53 137.64 o
9 1 1 269.87 194.14 91.32 o
10 1 1 186.64 77.40 77.14 o
-10 2 1 87.44 2.05 164.41 o
-9 2 1 2.61 -15.03 68.63 o
-8 2 1 324.73 343.16 64.87 o
-7 2 1 8.48 20.02 36.44 o
-6 2 1 1213.40 1252.83 54.34 o
-5 2 1 4451.85 4507.46 82.65 o
-4 2 1 3365.18 3278.40 68.40 o
-3 2 1 10585.54 10875.17 153.96 o
-2 2 1 4188.11 4304.94 75.04 o
-1 2 1 3601.90 3700.06 64.05 o
0 2 1 3786.28 4063.59 69.08 o
1 2 1 10746.23 11827.72 156.28 o
2 2 1 4636.51 4263.00 62.58 o
3 2 1 21415.90 21620.33 264.83 o
4 2 1 2378.48 2220.59 52.92 o
5 2 1 14910.00 15259.78 226.59 o
6 2 1 686.41 681.67 43.39 o
7 2 1 9103.77 9332.95 189.53 o
8 2 1 190.83 242.71 60.64 o
9 2 1 1602.27 1687.42 141.91 o
-10 3 1 238.09 342.40 108.07 o
-9 3 1 241.10 156.20 77.81 o
-8 3 1 102.91 -60.51 60.51 o
-7 3 1 1620.41 1600.91 68.64 o
-6 3 1 9.01 -28.20 30.75 o
-5 3 1 5375.87 5127.97 104.47 o
-4 3 1 596.91 601.31 37.52 o
-3 3 1 10133.40 9961.17 144.83 o
-2 3 1 6155.47 6525.47 99.06 o
-1 3 1 4210.16 4461.04 65.00 o
0 3 1 4617.34 4809.98 84.23 o
1 3 1 4548.65 4602.83 63.79 o
2 3 1 12098.63 13023.76 163.79 o
3 3 1 2117.53 2044.19 44.72 o
4 3 1 2114.59 2470.57 64.43 o
5 3 1 314.81 303.39 30.14 o
6 3 1 297.78 396.49 38.49 o
7 3 1 0.78 10.98 44.27 o
8 3 1 122.33 34.03 60.73 o
9 3 1 5.11 42.85 71.88 o
-9 4 1 196.67 214.31 92.62 o
-8 4 1 1357.25 1379.39 171.32 o
-7 4 1 3.12 -29.62 39.48 o
-6 4 1 5013.36 4885.18 106.81 o
-5 4 1 602.52 665.71 42.38 o
-4 4 1 11534.43 11172.59 181.18 o
-3 4 1 503.46 478.40 31.24 o
-2 4 1 16963.81 17622.97 229.06 o
-1 4 1 49.20 48.05 19.76 o
0 4 1 14367.90 14627.82 189.06 o
1 4 1 44.38 35.47 18.53 o
2 4 1 9938.09 9677.74 132.52 o
3 4 1 16.35 5.10 21.42 o
4 4 1 3458.73 3222.39 67.33 o
5 4 1 67.17 57.66 28.38 o
6 4 1 898.29 909.12 49.97 o
7 4 1 1061.75 1072.83 65.64 o
8 4 1 162.86 231.81 72.26 o
9 4 1 143.92 191.39 79.51 o
-9 5 1 25.37 20.66 86.50 o
-8 5 1 75.65 93.64 66.12 o
-7 5 1 13.07 46.08 42.64 o
-6 5 1 206.95 267.84 38.38 o
-5 5 1 110.45 116.71 33.63 o
-4 5 1 5246.92 5173.61 97.57 o
-3 5 1 0.27 -18.96 26.05 o
-2 5 1 2085.84 2043.67 50.95 o
-1 5 1 123.20 150.70 21.32 o
0 5 1 14429.99 14862.91 188.01 o
1 5 1 95.93 80.80 20.82 o
2 5 1 10664.03 11156.00 152.78 o
3 5 1 5.05 -21.65 21.65 o
4 5 1 12302.01 12874.05 187.07 o
5 5 1 106.68 122.91 30.79 o
6 5 1 7661.50 7457.55 149.34 o
7 5 1 41.80 62.15 45.32 o
8 5 1 5576.29 5504.70 202.44 o
9 5 1 69.00 89.25 75.81 o
-9 6 1 203.58 235.60 100.23 o
-8 6 1 1156.77 1177.80 96.29 o
-7 6 1 43.10 25.16 43.06 o
-6 6 1 3288.98 3397.61 89.54 o
-5 6 1 1255.85 1344.58 56.83 o
-4 6 1 8730.76 8731.85 144.65 o
-3 6 1 879.03 923.56 40.72 o
-2 6 1 10034.41 9764.13 145.46 o
-1 6 1 1471.13 1545.14 46.53 o
0 6 1 8274.11 8658.56 120.50 o
1 6 1 3551.44 3895.37 70.75 o
2 6 1 7155.96 7085.33 111.83 o
3 6 1 678.29 646.83 40.32 o
4 6 1 3038.10 2969.23 67.41 o
5 6 1 563.54 461.06 37.91 o
6 6 1 602.02 581.67 50.06 o
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8 6 1 70.37 14.48 70.10 o
9 6 1 249.87 328.16 87.04 o
-9 7 1 118.13 20.27 107.37 o
-8 7 1 196.90 262.92 76.10 o
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-6 7 1 220.65 105.03 41.11 o
-5 7 1 2186.87 2110.86 67.43 o
-4 7 1 1840.28 1909.10 71.70 o
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0 7 1 679.01 762.58 36.01 o
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2 7 1 1801.52 1794.55 69.86 o
3 7 1 2621.25 2724.81 68.99 o
4 7 1 48.65 74.23 29.24 o
5 7 1 496.83 583.20 41.73 o
6 7 1 14.11 55.00 37.61 o
7 7 1 312.84 335.67 69.91 o
8 7 1 255.08 135.69 75.51 o
9 7 1 80.38 136.10 101.19 o
-8 8 1 346.79 310.61 92.05 o
-7 8 1 4.93 101.05 69.50 o
-6 8 1 951.92 865.16 59.43 o
-5 8 1 2116.96 2141.79 73.46 o
-4 8 1 1453.56 1476.96 59.09 o
-3 8 1 3485.96 3706.39 87.20 o
-2 8 1 2583.09 2674.03 65.33 o
-1 8 1 1826.43 1757.99 53.23 o
0 8 1 2305.66 2269.95 62.86 o
1 8 1 2999.63 3024.25 72.38 o
2 8 1 1313.18 1346.50 55.09 o
3 8 1 5493.09 5534.89 106.25 o
4 8 1 523.59 564.68 40.66 o
5 8 1 5467.26 5780.92 126.79 o
6 8 1 113.89 95.89 48.38 o
7 8 1 3832.46 3471.96 147.25 o
8 8 1 0.13 89.24 103.94 o
-8 9 1 21.73 51.34 85.65 o
-7 9 1 1733.47 1762.90 181.01 o
-6 9 1 3.62 -57.07 57.07 o
-5 9 1 4241.29 4278.60 112.59 o
-4 9 1 461.64 498.32 44.65 o
-3 9 1 6923.92 6627.16 123.36 o
-2 9 1 216.73 265.23 33.44 o
-1 9 1 4270.59 4401.83 87.99 o
0 9 1 3520.92 3786.87 96.63 o
1 9 1 4821.48 4936.89 110.03 o
2 9 1 2052.21 2109.63 61.00 o
3 9 1 1863.71 1825.82 62.32 o
4 9 1 1330.14 1429.12 58.78 o
5 9 1 387.12 391.19 45.87 o
6 9 1 932.58 870.60 85.11 o
7 9 1 1.96 156.88 68.02 o
8 9 1 1386.10 1383.58 182.20 o
-8 10 1 6.47 14.27 224.40 o
-7 10 1 30.96 74.64 87.98 o
-6 10 1 173.00 128.91 73.85 o
-5 10 1 44.72 0.66 58.74 o
-4 10 1 216.68 162.02 39.43 o
-3 10 1 115.76 113.38 35.75 o
-2 10 1 359.54 309.42 35.93 o
-1 10 1 136.62 141.23 31.58 o
0 10 1 265.66 211.96 35.93 o
1 10 1 85.49 86.32 32.25 o
2 10 1 17.37 22.66 29.38 o
3 10 1 820.14 927.95 53.62 o
4 10 1 30.33 -28.98 48.37 o
5 10 1 611.46 596.64 71.87 o
6 10 1 9.10 -55.79 55.79 o
7 10 1 18.76 4.69 90.39 o
-7 11 1 454.42 496.59 120.83 o
-6 11 1 251.85 286.90 89.64 o
-5 11 1 1645.30 1601.05 101.41 o
-4 11 1 1970.35 1991.03 123.73 o
-3 11 1 1484.15 1451.22 66.55 o
-2 11 1 354.16 299.59 41.81 o
-1 11 1 2732.85 2449.38 71.57 o
0 11 1 421.77 472.05 46.18 o
1 11 1 2009.23 2038.35 69.58 o
2 11 1 383.97 436.85 39.56 o
3 11 1 1596.22 1645.86 69.73 o
4 11 1 1415.70 1518.94 111.57 o
5 11 1 227.30 215.98 65.34 o
6 11 1 1186.82 1293.14 166.31 o
7 11 1 87.88 67.44 92.62 o
-6 12 1 206.71 246.48 160.50 o
-5 12 1 766.36 960.59 160.74 o
-4 12 1 812.62 625.57 86.59 o
-3 12 1 1259.32 1081.60 80.55 o
-2 12 1 695.57 731.53 59.11 o
-1 12 1 1268.46 1227.01 61.00 o
0 12 1 648.37 524.19 47.14 o
1 12 1 2328.18 2099.11 112.96 o
2 12 1 579.46 573.13 89.40 o
3 12 1 2849.33 2632.03 118.24 o
4 12 1 245.69 341.98 68.84 o
5 12 1 2518.37 2552.63 165.37 o
6 12 1 67.70 45.69 86.58 o
-6 13 1 88.15 129.72 100.82 o
-5 13 1 153.83 283.07 98.58 o
-4 13 1 295.27 433.20 98.95 o
-3 13 1 394.14 416.09 84.47 o
-2 13 1 12.61 101.85 71.48 o
-1 13 1 86.40 107.78 62.46 o
0 13 1 275.87 240.02 67.16 o
1 13 1 305.21 187.78 77.03 o
2 13 1 43.00 55.94 70.96 o
3 13 1 120.58 220.94 78.06 o
4 13 1 10.94 83.29 77.35 o
5 13 1 63.35 63.15 77.66 o
-4 14 1 451.90 688.38 170.77 o
-3 14 1 205.91 241.50 97.47 o
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0 14 1 1019.13 631.89 101.37 o
1 14 1 161.90 170.24 87.14 o
2 14 1 690.54 557.80 101.90 o
3 14 1 81.47 -87.41 87.41 o
4 14 1 305.96 356.07 104.13 o
-3 15 1 24.04 -0.22 93.38 o
-2 15 1 234.13 288.09 101.08 o
-1 15 1 22.97 -1.80 92.13 o
0 15 1 895.93 1140.34 123.23 o
1 15 1 6.76 -83.34 83.34 o
2 15 1 867.56 964.92 120.01 o
3 15 1 1.12 67.20 93.03 o
-10 0 2 410.76 282.92 201.90 o
-8 0 2 277.87 318.67 76.50 o
-6 0 2 2050.62 1972.34 105.12 o
-4 0 2 250.09 142.45 40.32 o
-2 0 2 3303.55 3193.37 75.98 o
0 0 2 4836.22 4974.85 130.12 o
2 0 2 13191.40 14590.21 270.89 o
4 0 2 4122.94 4696.67 112.52 o
6 0 2 39.42 56.93 49.60 o
8 0 2 1012.24 1100.13 132.30 o
-10 1 2 128.71 -101.07 142.74 o
-9 1 2 727.05 674.11 95.22 o
-8 1 2 589.12 662.98 71.98 o
-7 1 2 1076.30 1215.27 67.47 o
-6 1 2 1027.14 987.88 57.07 o
-5 1 2 5033.41 5080.74 108.65 o
-4 1 2 3200.37 3096.44 63.73 o
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-2 1 2 11621.92 11548.46 158.43 o
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0 1 2 12759.85 13352.53 224.78 o
1 1 2 22.17 8.66 9.36 o
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3 1 2 4609.47 4381.08 69.01 o
4 1 2 9386.98 9690.84 140.55 o
5 1 2 79.39 40.91 24.77 o
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8 1 2 1064.28 1025.97 93.46 o
9 1 2 97.49 57.49 72.18 o
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3 2 2 4044.32 4137.45 64.27 o
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5 2 2 2294.94 2298.48 59.45 o
6 2 2 91.35 54.92 35.41 o
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9 2 2 172.98 151.20 75.55 o
-10 3 2 13.19 109.29 134.54 o
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-7 3 2 1071.88 910.78 63.45 o
-6 3 2 278.55 288.71 38.79 o
-5 3 2 587.14 570.84 43.33 o
-4 3 2 1158.69 1186.42 60.23 o
-3 3 2 1298.50 1111.20 36.33 o
-2 3 2 5800.58 5467.78 88.21 o
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0 3 2 5398.55 5665.61 77.56 o
1 3 2 2644.28 2620.04 43.14 o
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3 3 2 1434.35 1597.62 38.15 o
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5 3 2 4.80 2.60 24.72 o
6 3 2 2600.95 2438.43 80.64 o
7 3 2 71.18 209.77 54.83 o
8 3 2 613.47 489.85 72.05 o
9 3 2 201.90 176.50 76.67 o
-10 4 2 29.93 -61.95 183.90 o
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-6 4 2 93.48 100.25 36.67 o
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2 4 2 318.42 332.67 22.41 o
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5 4 2 6897.63 6837.67 118.32 o
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