#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:35:43 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199147 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/21/2242177.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_2242177
_cell_angle_alpha                87.604
_cell_angle_beta                 84.299
_cell_angle_gamma                72.447
_cell_length_a                   7.1123
_cell_length_b                   7.7841
_cell_length_c                   13.3011
_exptl_crystal_F_000             356.00
_reflns_d_resolution_high        0.8001
_cod_data_source_file            hb7669Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' org'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            174.29
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 0 839.96 895.87 16.47 o
2 0 0 5262.76 5699.12 75.01 o
3 0 0 2089.99 2260.48 27.73 o
4 0 0 704.82 718.23 19.07 o
5 0 0 146.37 147.47 4.34 o
6 0 0 3.65 2.95 0.98 o
7 0 0 792.79 815.34 15.00 o
8 0 0 29.99 33.82 2.74 o
-8 1 0 299.39 329.16 7.85 o
-7 1 0 493.63 510.05 10.42 o
-6 1 0 231.35 233.68 6.83 o
-5 1 0 21.39 24.18 1.92 o
-4 1 0 1136.62 1128.12 25.09 o
-3 1 0 254.65 263.59 7.68 o
-2 1 0 3643.76 3667.86 63.25 o
-1 1 0 2888.30 2988.10 30.32 o
0 1 0 255.97 262.73 5.61 o
1 1 0 5652.07 5953.08 48.28 o
2 1 0 55.48 69.39 4.93 o
3 1 0 2187.07 2254.87 31.24 o
4 1 0 284.35 297.43 11.19 o
5 1 0 1456.26 1460.07 16.53 o
6 1 0 603.43 626.18 10.75 o
7 1 0 970.00 1005.09 17.26 o
8 1 0 338.65 319.75 11.37 o
-7 2 0 0.02 0.45 0.83 o
-6 2 0 1182.43 1226.72 16.71 o
-5 2 0 665.26 660.36 9.95 o
-4 2 0 1311.52 1313.89 19.57 o
-3 2 0 511.17 457.54 13.57 o
-2 2 0 3892.62 4120.21 37.50 o
-1 2 0 1233.95 1318.09 17.96 o
0 2 0 123.08 110.78 6.51 o
1 2 0 6276.84 6461.02 53.28 o
2 2 0 2789.59 2940.57 26.86 o
3 2 0 1962.80 2185.68 31.23 o
4 2 0 1816.84 1955.90 32.99 o
5 2 0 486.63 498.79 9.01 o
6 2 0 728.53 737.11 11.71 o
7 2 0 21.56 21.43 1.89 o
8 2 0 241.94 223.19 5.83 o
-7 3 0 265.02 284.77 7.38 o
-6 3 0 262.62 276.72 6.52 o
-5 3 0 336.20 375.01 8.00 o
-4 3 0 0.09 0.23 1.73 o
-3 3 0 1022.72 974.28 19.85 o
-2 3 0 701.86 703.17 12.61 o
-1 3 0 7.62 5.94 1.03 o
0 3 0 1203.15 1301.78 21.23 o
1 3 0 1643.73 1709.79 27.63 o
2 3 0 2228.16 2202.29 22.48 o
3 3 0 655.49 786.73 13.57 o
4 3 0 179.46 147.43 7.26 o
5 3 0 163.38 165.96 5.39 o
6 3 0 23.54 23.29 2.67 o
7 3 0 52.17 57.30 3.45 o
8 3 0 432.57 460.30 8.54 o
-6 4 0 3.16 3.05 0.85 o
-5 4 0 616.34 593.07 10.68 o
-4 4 0 83.51 88.42 3.68 o
-3 4 0 188.38 187.95 4.37 o
-2 4 0 721.58 696.21 13.12 o
-1 4 0 23.56 20.45 2.93 o
0 4 0 1459.03 1495.59 26.38 o
1 4 0 959.58 1101.51 21.62 o
2 4 0 751.64 791.19 20.21 o
3 4 0 116.81 118.82 8.08 o
4 4 0 464.73 486.95 15.53 o
5 4 0 732.98 699.84 11.01 o
6 4 0 3.02 2.32 0.88 o
7 4 0 273.40 304.58 9.13 o
8 4 0 42.30 38.61 2.92 o
-5 5 0 51.01 54.36 2.89 o
-4 5 0 951.56 964.36 17.94 o
-3 5 0 45.44 41.07 2.13 o
-2 5 0 417.12 423.81 6.77 o
-1 5 0 645.41 621.00 8.48 o
0 5 0 20.71 18.09 3.22 o
1 5 0 178.89 156.23 8.64 o
2 5 0 14.51 16.91 3.34 o
3 5 0 1241.90 1297.65 19.57 o
4 5 0 432.45 431.18 8.07 o
5 5 0 1205.83 1163.51 17.01 o
6 5 0 581.43 557.06 11.31 o
7 5 0 675.63 666.24 15.31 o
8 5 0 393.75 418.08 9.80 o
-4 6 0 299.94 302.37 9.84 o
-3 6 0 949.72 968.50 13.82 o
-2 6 0 830.37 850.10 17.24 o
-1 6 0 1226.40 1243.53 13.92 o
0 6 0 3.22 3.01 0.95 o
1 6 0 579.75 591.90 8.62 o
2 6 0 14.06 15.72 1.24 o
3 6 0 302.57 293.68 7.15 o
4 6 0 1445.83 1399.59 21.49 o
5 6 0 214.57 209.29 6.60 o
6 6 0 841.52 822.86 13.74 o
7 6 0 263.11 241.34 12.13 o
8 6 0 167.60 185.42 10.52 o
-3 7 0 898.83 965.08 12.94 o
-2 7 0 260.03 268.34 7.50 o
-1 7 0 341.29 356.47 6.47 o
0 7 0 1439.72 1490.60 17.11 o
1 7 0 540.79 547.32 9.51 o
2 7 0 2035.05 2076.60 20.10 o
3 7 0 82.98 84.51 4.30 o
4 7 0 485.53 491.76 10.70 o
5 7 0 0.45 2.72 1.04 o
6 7 0 358.82 357.88 7.98 o
7 7 0 192.76 183.44 7.63 o
-2 8 0 692.28 695.03 10.08 o
-1 8 0 18.10 15.67 1.57 o
0 8 0 943.40 942.08 16.20 o
1 8 0 335.96 330.66 6.29 o
2 8 0 648.75 634.96 9.12 o
3 8 0 22.96 26.12 2.30 o
4 8 0 128.50 135.25 4.54 o
5 8 0 805.33 843.48 18.55 o
6 8 0 76.61 71.34 3.38 o
0 9 0 216.27 221.50 5.47 o
1 9 0 344.54 331.52 6.55 o
2 9 0 4.21 4.88 0.83 o
3 9 0 474.30 467.38 7.65 o
4 9 0 21.80 21.15 1.46 o
5 9 0 308.33 271.68 9.84 o
-5 -9 1 117.46 116.18 4.40 o
-4 -9 1 110.37 105.81 3.17 o
-3 -9 1 184.40 170.14 4.29 o
-2 -9 1 30.07 27.58 1.54 o
-1 -9 1 39.73 39.93 1.63 o
0 -9 1 119.67 109.72 3.62 o
-6 -8 1 59.63 59.77 3.07 o
-5 -8 1 524.38 539.58 9.73 o
-4 -8 1 447.59 460.31 9.59 o
-3 -8 1 2.17 2.45 1.04 o
-2 -8 1 785.55 775.49 10.22 o
-1 -8 1 24.95 25.40 1.68 o
0 -8 1 461.87 490.66 9.04 o
1 -8 1 280.19 273.33 6.24 o
2 -8 1 287.20 286.28 9.02 o
-7 -7 1 85.50 78.84 2.66 o
-6 -7 1 445.66 461.11 9.13 o
-5 -7 1 151.49 152.97 8.87 o
-4 -7 1 786.81 783.45 17.12 o
-3 -7 1 852.21 860.36 19.73 o
-2 -7 1 1.99 3.84 0.76 o
-1 -7 1 279.04 285.43 6.85 o
0 -7 1 13.01 13.59 1.68 o
1 -7 1 8.83 8.86 1.02 o
2 -7 1 24.42 24.19 1.64 o
3 -7 1 860.54 920.79 12.31 o
-8 -6 1 237.30 217.93 7.23 o
-7 -6 1 65.15 70.52 3.22 o
-6 -6 1 886.37 886.26 14.45 o
-5 -6 1 415.12 410.14 8.51 o
-4 -6 1 81.58 81.72 3.97 o
-3 -6 1 581.22 561.07 8.91 o
-2 -6 1 15.05 17.32 1.36 o
-1 -6 1 741.17 745.41 9.60 o
0 -6 1 4.21 4.61 1.18 o
1 -6 1 3122.67 3247.45 48.34 o
2 -6 1 56.35 51.85 2.63 o
3 -6 1 1113.33 1134.35 23.13 o
4 -6 1 768.80 781.40 29.60 o
-8 -5 1 256.54 266.06 7.63 o
-7 -5 1 888.60 842.51 36.29 o
-6 -5 1 36.07 31.63 3.08 o
-5 -5 1 528.47 512.44 11.70 o
-4 -5 1 215.83 204.22 5.63 o
-3 -5 1 1250.42 1213.22 16.74 o
-2 -5 1 2836.65 3061.63 51.44 o
-1 -5 1 279.28 240.14 10.52 o
0 -5 1 1457.85 1467.54 41.86 o
1 -5 1 155.73 151.93 4.01 o
2 -5 1 1645.71 1630.12 24.04 o
3 -5 1 1.73 1.53 0.70 o
4 -5 1 882.48 867.20 19.56 o
5 -5 1 331.89 335.31 8.33 o
-8 -4 1 2.93 4.44 1.33 o
-7 -4 1 564.77 561.74 19.89 o
-6 -4 1 515.91 476.68 13.30 o
-5 -4 1 914.25 873.57 12.64 o
-4 -4 1 1301.27 1289.98 22.31 o
-3 -4 1 540.70 591.24 15.70 o
-2 -4 1 2072.01 2219.10 41.00 o
-1 -4 1 1037.87 1162.23 22.21 o
0 -4 1 697.52 696.01 16.42 o
1 -4 1 564.57 558.79 18.79 o
2 -4 1 1032.68 1077.03 18.08 o
3 -4 1 492.40 467.72 7.36 o
4 -4 1 1129.76 1132.35 20.51 o
5 -4 1 2054.94 2054.89 23.11 o
6 -4 1 11.48 10.34 1.23 o
-8 -3 1 315.70 327.08 7.08 o
-7 -3 1 5.41 5.88 1.18 o
-6 -3 1 1737.05 1724.02 35.69 o
-5 -3 1 97.50 100.47 3.47 o
-4 -3 1 2003.20 2070.61 28.17 o
-3 -3 1 529.11 575.50 11.76 o
-2 -3 1 1264.51 1337.85 16.09 o
-1 -3 1 1617.67 1751.60 24.03 o
0 -3 1 108.52 117.39 5.37 o
1 -3 1 2656.82 2735.20 35.26 o
2 -3 1 151.89 155.87 5.79 o
3 -3 1 2730.23 2708.25 53.05 o
4 -3 1 406.00 424.25 13.94 o
5 -3 1 325.94 351.56 7.16 o
6 -3 1 707.30 700.25 10.27 o
7 -3 1 90.73 95.44 3.57 o
-8 -2 1 423.83 419.61 9.63 o
-7 -2 1 1.52 1.81 1.07 o
-6 -2 1 1848.86 1867.14 22.10 o
-5 -2 1 1004.66 1040.49 13.19 o
-4 -2 1 180.74 200.77 8.30 o
-3 -2 1 71.38 62.35 4.31 o
-2 -2 1 5.05 5.51 0.93 o
-1 -2 1 3990.81 4174.01 32.07 o
0 -2 1 9.13 8.16 1.54 o
1 -2 1 942.77 931.60 13.75 o
2 -2 1 2296.28 2594.71 28.05 o
3 -2 1 425.86 417.06 11.51 o
4 -2 1 503.69 488.25 10.03 o
5 -2 1 31.89 35.99 2.22 o
6 -2 1 712.33 717.42 11.24 o
7 -2 1 119.35 113.77 4.18 o
-8 -1 1 202.62 221.55 7.32 o
-7 -1 1 295.79 299.35 8.33 o
-6 -1 1 112.76 119.76 4.25 o
-5 -1 1 1838.35 1824.79 19.53 o
-4 -1 1 195.24 199.66 9.31 o
-3 -1 1 353.56 360.02 9.67 o
-2 -1 1 4502.11 4741.33 47.70 o
-1 -1 1 86.07 85.95 2.58 o
0 -1 1 493.64 512.18 6.73 o
1 -1 1 59.41 61.44 2.79 o
2 -1 1 3913.60 4051.51 72.90 o
3 -1 1 1690.93 1821.52 29.14 o
4 -1 1 579.36 561.07 17.18 o
5 -1 1 579.94 559.78 12.78 o
6 -1 1 408.14 417.72 10.43 o
7 -1 1 762.82 824.52 13.84 o
8 -1 1 234.69 258.72 6.87 o
-8 0 1 6.94 10.01 1.56 o
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-6 0 1 129.19 135.32 4.82 o
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-4 0 1 2390.26 2477.43 49.24 o
-3 0 1 52.10 52.78 3.55 o
-2 0 1 1135.07 1156.13 16.16 o
-1 0 1 337.57 340.88 6.28 o
0 0 1 1190.45 1028.74 31.25 o
1 0 1 26.98 27.41 1.68 o
2 0 1 1393.47 1531.69 25.76 o
3 0 1 2230.77 2432.24 33.58 o
4 0 1 0.61 1.51 1.19 o
5 0 1 2929.18 2925.11 46.71 o
6 0 1 656.25 663.21 13.63 o
7 0 1 997.52 1066.68 16.83 o
8 0 1 289.55 293.95 8.46 o
-8 1 1 355.31 316.88 9.35 o
-7 1 1 8.63 8.04 1.35 o
-6 1 1 995.56 1054.08 15.93 o
-5 1 1 76.58 67.85 2.95 o
-4 1 1 3350.39 3378.36 51.49 o
-3 1 1 3735.41 3986.12 48.40 o
-2 1 1 630.01 593.13 10.67 o
-1 1 1 1178.06 1207.74 15.13 o
0 1 1 98.04 93.13 4.13 o
1 1 1 3023.98 3561.57 35.99 o
2 1 1 815.65 933.73 14.82 o
3 1 1 5090.63 5616.75 78.05 o
4 1 1 312.50 324.15 11.27 o
5 1 1 318.45 316.06 9.08 o
6 1 1 160.89 164.88 5.21 o
7 1 1 21.57 23.68 2.37 o
8 1 1 657.87 697.65 14.81 o
-7 2 1 240.72 252.98 8.00 o
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-5 2 1 989.84 1005.36 13.65 o
-4 2 1 77.57 71.39 2.81 o
-3 2 1 466.90 423.04 12.93 o
-2 2 1 524.68 539.28 10.11 o
-1 2 1 5411.97 5424.96 45.28 o
0 2 1 2957.93 2825.73 57.23 o
1 2 1 3362.21 3597.30 35.74 o
2 2 1 1804.41 2028.24 26.07 o
3 2 1 4234.25 4945.81 58.45 o
4 2 1 1104.66 1178.99 28.84 o
5 2 1 30.98 31.01 2.23 o
6 2 1 1201.08 1238.81 15.71 o
7 2 1 127.10 128.49 4.59 o
8 2 1 275.72 288.12 10.74 o
-7 3 1 744.33 750.41 13.03 o
-6 3 1 50.86 44.35 2.49 o
-5 3 1 319.53 334.20 6.91 o
-4 3 1 128.98 106.30 3.55 o
-3 3 1 1603.91 1574.35 20.68 o
-2 3 1 1010.71 1033.92 26.18 o
-1 3 1 3044.93 3282.98 41.26 o
0 3 1 1903.27 1945.25 28.16 o
1 3 1 2187.28 2380.34 35.98 o
2 3 1 1614.54 1715.82 28.71 o
3 3 1 419.90 421.41 9.37 o
4 3 1 1552.52 1764.44 31.35 o
5 3 1 258.80 274.45 7.80 o
6 3 1 881.27 917.22 17.72 o
7 3 1 678.00 690.01 12.66 o
8 3 1 99.12 103.27 3.72 o
-6 4 1 375.54 393.06 10.49 o
-5 4 1 78.99 76.89 3.60 o
-4 4 1 416.55 421.38 8.35 o
-3 4 1 618.84 622.05 8.98 o
-2 4 1 3375.69 3377.97 29.96 o
-1 4 1 1.12 0.48 2.18 o
0 4 1 3726.83 4107.28 57.75 o
1 4 1 2356.77 2673.79 38.52 o
2 4 1 349.81 393.94 18.19 o
3 4 1 2259.88 2294.94 39.46 o
4 4 1 490.65 548.96 19.58 o
5 4 1 1275.18 1329.10 16.55 o
6 4 1 134.61 144.34 6.41 o
7 4 1 242.71 263.51 9.19 o
8 4 1 122.91 112.28 4.84 o
-5 5 1 138.97 138.05 4.56 o
-4 5 1 604.15 587.17 11.39 o
-3 5 1 21.76 20.23 1.70 o
-2 5 1 6.35 6.66 0.89 o
-1 5 1 804.16 798.59 10.38 o
0 5 1 477.85 487.03 19.38 o
1 5 1 2050.93 2217.15 44.69 o
2 5 1 265.87 313.87 17.72 o
3 5 1 1331.57 1343.44 20.13 o
4 5 1 18.53 16.91 1.62 o
5 5 1 80.54 85.44 3.98 o
6 5 1 63.76 81.59 4.03 o
7 5 1 74.35 67.70 5.04 o
8 5 1 205.87 210.64 6.61 o
-4 6 1 0.49 1.16 0.75 o
-3 6 1 88.55 91.21 3.78 o
-2 6 1 345.74 370.72 8.49 o
-1 6 1 857.47 856.34 12.11 o
0 6 1 904.69 899.89 12.66 o
1 6 1 1716.87 1744.34 20.86 o
2 6 1 2330.76 2355.06 25.00 o
3 6 1 78.13 82.90 3.73 o
4 6 1 3358.09 3390.68 32.29 o
5 6 1 59.33 59.62 3.47 o
6 6 1 207.83 233.35 6.74 o
7 6 1 161.09 140.40 9.46 o
8 6 1 508.71 490.25 13.18 o
-3 7 1 319.43 326.15 6.85 o
-2 7 1 241.45 253.98 6.30 o
-1 7 1 52.40 47.57 2.46 o
0 7 1 865.80 895.48 12.73 o
1 7 1 90.88 91.49 3.67 o
2 7 1 330.96 346.76 6.81 o
3 7 1 1466.01 1470.32 20.92 o
4 7 1 236.59 235.42 7.22 o
5 7 1 456.02 449.25 11.62 o
6 7 1 19.38 22.42 2.10 o
7 7 1 296.49 280.36 13.21 o
-2 8 1 649.77 661.72 11.38 o
-1 8 1 60.21 64.85 3.13 o
0 8 1 455.16 455.80 7.70 o
1 8 1 154.90 157.45 4.52 o
2 8 1 277.34 273.93 5.58 o
3 8 1 663.88 717.60 12.62 o
4 8 1 2.29 2.28 1.06 o
5 8 1 721.50 757.16 17.97 o
6 8 1 76.58 81.43 4.30 o
0 9 1 1.76 3.89 0.93 o
1 9 1 705.29 629.83 24.17 o
2 9 1 139.13 130.15 4.71 o
3 9 1 473.96 465.09 21.08 o
4 9 1 304.13 300.95 10.98 o
5 9 1 41.00 43.70 2.89 o
-5 -9 2 257.72 248.61 7.66 o
-4 -9 2 2.31 1.63 0.55 o
-3 -9 2 649.55 640.31 17.12 o
-2 -9 2 242.03 213.76 5.72 o
-1 -9 2 3.70 4.51 0.56 o
0 -9 2 374.68 341.02 12.39 o
-6 -8 2 126.75 130.09 4.38 o
-5 -8 2 426.45 438.81 10.93 o
-4 -8 2 197.07 204.32 6.07 o
-3 -8 2 123.49 124.10 4.00 o
-2 -8 2 604.09 607.21 11.41 o
-1 -8 2 67.34 67.23 2.98 o
0 -8 2 313.87 331.57 6.50 o
1 -8 2 254.55 245.14 5.11 o
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-5 -7 2 291.84 281.16 8.37 o
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0 -7 2 146.79 163.68 5.15 o
1 -7 2 375.81 380.20 7.67 o
2 -7 2 104.63 108.45 3.66 o
3 -7 2 185.79 188.89 5.78 o
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2 -6 2 481.63 479.74 8.82 o
3 -6 2 133.29 137.64 3.73 o
4 -6 2 604.35 588.09 21.51 o
-8 -5 2 2.03 3.03 1.04 o
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-6 -5 2 26.30 25.40 2.71 o
-5 -5 2 310.08 302.94 8.63 o
-4 -5 2 457.10 467.14 9.54 o
-3 -5 2 952.48 896.17 14.04 o
-2 -5 2 1536.79 1644.99 35.53 o
-1 -5 2 0.82 3.01 1.80 o
0 -5 2 1610.70 1701.64 28.47 o
1 -5 2 618.78 628.94 9.71 o
2 -5 2 934.16 939.13 12.60 o
3 -5 2 668.26 668.97 11.49 o
4 -5 2 26.04 27.34 1.95 o
5 -5 2 261.56 258.38 7.12 o
-8 -4 2 23.41 23.86 2.38 o
-7 -4 2 324.65 309.53 8.65 o
-6 -4 2 1062.35 1059.84 26.61 o
-5 -4 2 44.34 41.52 2.73 o
-4 -4 2 1917.51 2049.59 21.78 o
-3 -4 2 286.14 327.04 12.21 o
-2 -4 2 1331.20 1462.37 25.73 o
-1 -4 2 1807.04 1972.68 26.20 o
0 -4 2 982.30 962.67 19.34 o
1 -4 2 4124.29 4306.14 54.59 o
2 -4 2 223.11 207.90 4.55 o
3 -4 2 1283.03 1258.31 18.84 o
4 -4 2 0.62 1.34 0.96 o
5 -4 2 636.82 636.40 16.88 o
6 -4 2 139.54 145.38 4.63 o
-8 -3 2 538.69 536.11 9.25 o
-7 -3 2 4.63 3.53 1.09 o
-6 -3 2 1522.87 1538.92 37.43 o
-5 -3 2 118.82 122.99 3.78 o
-4 -3 2 107.01 74.96 5.23 o
-3 -3 2 5703.55 6137.43 82.93 o
-2 -3 2 203.31 245.91 6.32 o
-1 -3 2 1243.04 1277.58 18.07 o
0 -3 2 89.16 80.57 3.94 o
1 -3 2 2998.76 3009.11 78.95 o
2 -3 2 1.49 2.50 1.02 o
3 -3 2 318.09 292.09 6.20 o
4 -3 2 782.57 778.34 14.48 o
5 -3 2 41.97 41.37 2.59 o
6 -3 2 363.70 366.06 7.13 o
7 -3 2 104.13 106.95 5.21 o
-8 -2 2 424.08 417.49 7.18 o
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