#------------------------------------------------------------------------------
#$Date: 2020-12-07 03:01:11 +0200 (Mon, 07 Dec 2020) $
#$Revision: 259635 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022296.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_2022296
_cell_angle_alpha                90.000
_cell_angle_beta                 91.381
_cell_angle_gamma                90.000
_cell_length_a                   25.8944
_cell_length_b                   6.9439
_cell_length_c                   6.1499
_exptl_crystal_F_000             552.00
_reflns_d_resolution_high        0.8003
_cod_data_source_file            yd30091Bsup3.hkl
_cod_data_source_block           1B
_shelx_title                     ' test_fac in Cc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            291.61
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
-11 1 -7 1129.96 1187.94 117.73 o
-9 1 -7 662.78 685.65 94.50 o
-7 1 -7 753.62 739.72 98.70 o
-5 1 -7 1323.64 1429.12 136.70 o
-3 1 -7 769.02 1105.42 123.75 o
-1 1 -7 1759.40 1764.49 150.72 o
1 1 -7 89.58 202.96 54.97 o
3 1 -7 826.61 722.46 92.96 o
5 1 -7 1684.11 1510.18 125.27 o
7 1 -7 637.94 583.46 78.23 o
9 1 -7 586.37 470.32 68.25 o
11 1 -7 630.83 570.04 71.55 o
13 1 -7 438.26 384.10 59.05 o
-10 2 -7 1374.94 1319.48 127.12 o
-8 2 -7 354.76 442.75 78.40 o
-6 2 -7 156.31 153.40 52.20 o
-4 2 -7 551.11 656.85 98.36 o
-2 2 -7 582.33 682.83 98.90 o
0 2 -7 394.43 502.28 133.53 o
2 2 -7 711.27 710.28 96.55 o
4 2 -7 743.88 649.77 85.08 o
6 2 -7 401.57 377.28 66.07 o
8 2 -7 410.12 342.63 60.88 o
10 2 -7 451.80 368.39 61.61 o
-5 3 -7 119.82 213.84 69.23 o
-3 3 -7 35.92 64.67 50.03 o
-1 3 -7 212.53 240.48 67.50 o
1 3 -7 0.83 23.73 36.61 o
3 3 -7 112.61 144.96 49.11 o
5 3 -7 45.70 35.32 38.43 o
7 3 -7 189.92 186.95 54.38 o
-18 0 -6 1637.70 1758.04 173.79 o
-16 0 -6 1551.44 1579.93 170.48 o
-14 0 -6 2299.90 2347.44 207.38 o
-12 0 -6 1247.04 1183.47 151.25 o
-10 0 -6 2703.35 2893.88 235.89 o
-8 0 -6 2766.92 2775.73 233.86 o
-6 0 -6 843.00 898.64 143.03 o
-4 0 -6 1468.74 1678.03 191.65 o
-2 0 -6 2217.52 2725.13 240.60 o
0 0 -6 954.63 1430.37 171.52 o
2 0 -6 5049.45 5078.18 310.69 o
4 0 -6 1697.21 1683.79 174.70 o
6 0 -6 1583.28 1527.05 158.77 o
8 0 -6 1439.20 1341.11 143.73 o
10 0 -6 1449.80 1326.78 136.45 o
12 0 -6 1337.28 1284.98 131.15 o
14 0 -6 1039.91 820.24 100.52 o
16 0 -6 465.03 400.69 101.25 o
18 0 -6 1189.91 1384.11 142.45 o
20 0 -6 548.38 743.53 109.84 o
-19 1 -6 124.42 87.65 51.94 o
-17 1 -6 213.61 160.16 42.66 o
-15 1 -6 204.87 205.58 49.48 o
-13 1 -6 457.84 376.15 71.89 o
-11 1 -6 363.58 294.81 62.74 o
-9 1 -6 32.53 -17.04 33.64 o
-7 1 -6 490.10 480.22 75.52 o
-5 1 -6 540.96 587.73 80.19 o
-3 1 -6 265.22 280.32 63.66 o
-1 1 -6 456.24 450.18 71.39 o
1 1 -6 206.22 216.68 50.32 o
3 1 -6 233.67 191.76 40.86 o
5 1 -6 470.97 485.94 65.46 o
7 1 -6 361.79 323.95 53.42 o
9 1 -6 98.49 85.40 35.35 o
11 1 -6 109.01 38.63 23.61 o
13 1 -6 541.69 463.50 73.50 o
15 1 -6 264.73 203.41 39.15 o
17 1 -6 163.08 219.61 46.24 o
19 1 -6 120.36 116.98 41.58 o
-18 2 -6 772.96 703.71 82.00 o
-16 2 -6 674.34 640.59 80.13 o
-14 2 -6 934.07 923.73 94.66 o
-12 2 -6 522.40 513.39 70.82 o
-10 2 -6 1310.77 1247.92 112.04 o
-8 2 -6 908.77 896.33 98.23 o
-6 2 -6 285.73 378.10 67.77 o
-4 2 -6 579.98 626.67 84.59 o
-2 2 -6 758.83 852.19 107.06 o
0 2 -6 276.34 387.25 99.23 o
2 2 -6 2418.34 2390.18 153.32 o
4 2 -6 690.91 672.60 79.58 o
6 2 -6 668.76 581.00 70.91 o
8 2 -6 409.62 383.66 58.25 o
10 2 -6 761.21 661.72 71.24 o
12 2 -6 434.14 306.16 47.79 o
14 2 -6 389.69 402.83 52.00 o
16 2 -6 168.88 167.67 32.37 o
18 2 -6 482.13 523.93 72.69 o
-15 3 -6 853.15 811.80 91.97 o
-13 3 -6 1754.66 1637.69 128.02 o
-11 3 -6 1487.03 1462.06 131.10 o
-9 3 -6 154.98 202.09 54.82 o
-7 3 -6 1948.99 2011.11 143.26 o
-5 3 -6 2138.83 2451.73 355.73 o
-3 3 -6 1131.51 1581.17 138.50 o
-1 3 -6 1710.76 2012.71 150.56 o
1 3 -6 845.69 1103.76 111.49 o
3 3 -6 974.44 1134.21 110.02 o
5 3 -6 1681.44 1611.55 129.26 o
7 3 -6 1336.67 1402.88 115.19 o
9 3 -6 411.92 424.47 62.95 o
11 3 -6 363.77 387.16 60.69 o
13 3 -6 2221.17 2243.81 104.92 o
15 3 -6 1121.77 1107.24 79.68 o
17 3 -6 693.05 791.85 77.47 o
-12 4 -6 35.44 11.53 25.82 o
-10 4 -6 154.50 165.45 48.11 o
-8 4 -6 102.57 148.33 36.74 o
-6 4 -6 31.28 102.31 45.64 o
-4 4 -6 49.18 88.74 41.99 o
-2 4 -6 47.88 78.03 45.25 o
0 4 -6 78.12 62.10 76.91 o
2 4 -6 60.64 93.02 40.99 o
4 4 -6 11.28 17.02 59.18 o
6 4 -6 13.49 -10.62 54.27 o
8 4 -6 129.32 170.46 46.74 o
10 4 -6 182.56 139.87 40.14 o
12 4 -6 89.33 62.75 21.13 o
14 4 -6 13.65 18.45 17.61 o
-7 5 -6 907.00 1071.42 224.40 o
-5 5 -6 964.47 1173.26 229.57 o
-3 5 -6 592.59 775.77 102.65 o
-1 5 -6 676.59 778.89 105.58 o
1 5 -6 461.51 631.11 92.60 o
3 5 -6 578.69 717.98 104.46 o
5 5 -6 509.14 581.31 83.57 o
7 5 -6 443.18 199.40 48.14 o
-23 1 -5 837.95 884.11 116.40 o
-21 1 -5 1832.19 1716.93 109.87 o
-19 1 -5 1506.58 1528.49 104.67 o
-17 1 -5 2016.03 1996.95 119.57 o
-15 1 -5 1565.41 1538.61 105.96 o
-13 1 -5 1648.67 1662.48 110.50 o
-11 1 -5 6356.88 6450.37 220.83 o
-9 1 -5 1210.40 1203.74 96.87 o
-7 1 -5 2221.00 2408.91 137.59 o
-5 1 -5 5944.23 6460.83 232.06 o
-3 1 -5 3056.71 3696.76 179.51 o
-1 1 -5 3846.75 4456.22 192.17 o
1 1 -5 2564.53 2589.72 141.75 o
3 1 -5 2047.05 2128.95 123.50 o
5 1 -5 2730.43 2699.70 133.46 o
7 1 -5 1582.17 1517.65 97.08 o
9 1 -5 3141.73 2882.01 129.07 o
11 1 -5 485.05 437.25 50.57 o
13 1 -5 3552.45 2882.91 127.13 o
15 1 -5 4477.05 3545.10 238.28 o
17 1 -5 1062.93 964.33 67.99 o
19 1 -5 690.41 812.46 75.70 o
21 1 -5 850.80 927.50 82.24 o
23 1 -5 591.29 540.09 64.99 o
-22 2 -5 356.90 374.96 44.64 o
-20 2 -5 972.14 820.79 79.63 o
-18 2 -5 689.60 688.61 72.85 o
-16 2 -5 1038.94 1049.15 90.23 o
-14 2 -5 1231.29 1153.60 94.39 o
-12 2 -5 1155.54 1133.90 121.53 o
-10 2 -5 1033.58 1069.49 93.14 o
-8 2 -5 1880.29 1902.11 123.48 o
-6 2 -5 1619.01 1716.08 96.96 o
-4 2 -5 1500.98 1596.69 124.09 o
-2 2 -5 1312.06 1497.19 80.99 o
0 2 -5 1521.05 1780.28 88.21 o
2 2 -5 1951.05 2083.19 125.98 o
4 2 -5 1403.48 1367.93 64.01 o
6 2 -5 886.50 943.83 82.02 o
8 2 -5 1330.61 1208.68 88.77 o
10 2 -5 1305.87 1198.02 86.22 o
12 2 -5 1718.52 1432.42 90.63 o
14 2 -5 1093.47 953.81 65.33 o
16 2 -5 501.32 467.64 44.48 o
18 2 -5 636.97 638.47 66.23 o
20 2 -5 363.99 333.26 81.15 o
22 2 -5 756.28 717.30 74.75 o
-21 3 -5 268.59 275.72 40.69 o
-19 3 -5 348.62 367.97 56.66 o
-17 3 -5 113.37 64.38 23.05 o
-15 3 -5 237.56 222.56 39.59 o
-13 3 -5 120.49 79.25 23.80 o
-11 3 -5 894.82 900.26 87.24 o
-9 3 -5 436.50 473.47 51.10 o
-7 3 -5 231.84 230.68 37.97 o
-5 3 -5 530.93 543.91 52.92 o
-3 3 -5 335.83 348.85 46.20 o
-1 3 -5 693.59 737.95 104.23 o
1 3 -5 367.66 352.55 31.21 o
3 3 -5 395.38 393.28 31.00 o
5 3 -5 212.97 217.57 27.37 o
7 3 -5 54.13 55.42 16.10 o
9 3 -5 310.60 384.04 53.64 o
11 3 -5 286.73 226.18 43.39 o
13 3 -5 609.78 577.18 42.20 o
15 3 -5 433.92 424.41 32.12 o
17 3 -5 231.25 195.71 30.47 o
19 3 -5 61.01 15.39 53.89 o
21 3 -5 81.22 -10.32 34.05 o
-18 4 -5 738.65 666.15 63.81 o
-16 4 -5 1255.57 1188.80 83.31 o
-14 4 -5 1205.21 1122.63 97.19 o
-12 4 -5 1335.36 1289.77 85.78 o
-10 4 -5 995.99 1018.47 87.19 o
-8 4 -5 2127.20 1974.87 127.80 o
-6 4 -5 1779.63 1767.97 119.85 o
-4 4 -5 1557.14 1886.94 127.58 o
-2 4 -5 1478.67 1810.16 75.61 o
0 4 -5 1457.81 1751.28 102.13 o
2 4 -5 2038.00 2177.52 135.49 o
4 4 -5 1641.31 1872.16 86.10 o
6 4 -5 870.39 913.18 59.31 o
8 4 -5 1461.19 1422.00 72.96 o
10 4 -5 1258.03 1142.31 90.62 o
12 4 -5 2079.28 2002.27 79.50 o
14 4 -5 1457.09 1386.68 70.02 o
16 4 -5 498.58 466.40 35.68 o
18 4 -5 688.01 640.06 123.89 o
20 4 -5 371.37 377.69 53.38 o
-15 5 -5 213.38 175.11 37.66 o
-13 5 -5 276.60 241.76 44.40 o
-11 5 -5 427.96 452.89 53.95 o
-9 5 -5 290.41 338.02 58.91 o
-7 5 -5 152.91 204.33 47.01 o
-5 5 -5 632.53 729.45 91.44 o
-3 5 -5 354.75 367.66 40.28 o
-1 5 -5 191.36 231.67 43.73 o
1 5 -5 66.75 104.37 25.59 o
3 5 -5 1170.03 1407.75 95.26 o
5 5 -5 300.86 303.21 37.10 o
7 5 -5 447.49 447.59 37.93 o
9 5 -5 238.56 218.40 33.90 o
11 5 -5 249.99 270.31 37.04 o
13 5 -5 66.13 75.11 18.97 o
15 5 -5 380.95 383.50 40.98 o
-8 6 -5 399.33 424.33 217.14 o
-6 6 -5 278.76 353.45 72.82 o
-4 6 -5 260.66 293.04 64.69 o
-2 6 -5 303.84 352.56 42.19 o
0 6 -5 180.82 191.43 30.62 o
2 6 -5 231.66 315.97 49.79 o
4 6 -5 225.90 222.89 65.93 o
6 6 -5 162.39 197.97 36.96 o
8 6 -5 271.65 260.02 39.57 o
10 6 -5 83.52 33.27 24.05 o
-26 0 -4 1155.51 1295.76 145.01 o
-24 0 -4 2432.01 2322.31 181.90 o
-22 0 -4 2760.92 2539.25 142.30 o
-20 0 -4 2305.14 2299.09 158.03 o
-18 0 -4 2287.40 2276.50 159.80 o
-16 0 -4 2832.61 3021.29 186.29 o
-14 0 -4 3911.93 4043.01 218.45 o
-12 0 -4 2247.58 2364.01 167.51 o
-10 0 -4 2611.69 2631.79 178.41 o
-8 0 -4 14887.05 16402.61 462.48 o
-6 0 -4 4464.08 4939.13 248.82 o
-4 0 -4 6674.99 7562.63 314.87 o
-2 0 -4 3718.98 5073.44 261.21 o
0 0 -4 4727.00 5829.73 269.42 o
2 0 -4 5856.09 6376.33 274.23 o
4 0 -4 3332.37 3488.75 192.54 o
6 0 -4 4937.43 5190.68 228.94 o
8 0 -4 2593.27 2501.70 152.17 o
10 0 -4 2792.43 1727.66 467.19 o
12 0 -4 18481.50 15871.33 371.64 o
14 0 -4 853.69 759.65 137.20 o
16 0 -4 1393.17 1148.86 243.10 o
18 0 -4 2089.41 1739.23 335.17 o
20 0 -4 1367.37 1295.82 123.22 o
22 0 -4 1740.90 1714.48 149.61 o
24 0 -4 829.19 949.73 116.20 o
26 0 -4 945.88 938.43 122.19 o
28 0 -4 904.10 793.72 118.59 o
-25 1 -4 140.21 126.26 36.92 o
-23 1 -4 377.56 369.47 54.41 o
-21 1 -4 357.33 326.97 35.41 o
-19 1 -4 259.47 223.55 37.09 o
-17 1 -4 715.43 684.28 62.84 o
-15 1 -4 564.00 571.83 57.00 o
-13 1 -4 622.92 623.44 61.53 o
-11 1 -4 718.70 690.15 64.41 o
-9 1 -4 704.42 782.38 69.32 o
-7 1 -4 1142.07 1210.88 86.97 o
-5 1 -4 749.24 830.83 72.92 o
-3 1 -4 1317.42 1612.79 103.59 o
-1 1 -4 925.21 1146.17 85.49 o
1 1 -4 340.51 391.06 52.55 o
3 1 -4 1267.31 1336.66 85.93 o
5 1 -4 894.40 766.00 55.71 o
7 1 -4 603.82 503.31 73.62 o
9 1 -4 661.95 546.89 29.66 o
11 1 -4 546.65 457.11 28.42 o
13 1 -4 404.55 355.60 24.59 o
15 1 -4 746.81 668.72 32.32 o
17 1 -4 498.04 421.13 37.85 o
19 1 -4 202.93 146.43 27.91 o
21 1 -4 249.51 118.35 29.72 o
23 1 -4 220.31 121.77 33.04 o
25 1 -4 220.72 232.13 48.55 o
27 1 -4 111.06 105.65 36.06 o
-26 2 -4 507.32 531.43 68.09 o
-24 2 -4 861.92 865.60 79.94 o
-22 2 -4 1196.69 1189.35 61.36 o
-20 2 -4 957.67 932.27 60.97 o
-18 2 -4 855.26 878.11 73.29 o
-16 2 -4 1164.57 1102.24 66.73 o
-14 2 -4 1216.61 1186.64 68.79 o
-12 2 -4 794.58 736.86 53.75 o
-10 2 -4 799.34 751.45 53.44 o
-8 2 -4 7227.41 7263.36 203.35 o
-6 2 -4 1686.50 1736.29 87.32 o
-4 2 -4 2406.84 2353.31 156.07 o
-2 2 -4 1430.76 1648.56 98.40 o
0 2 -4 1989.36 2101.44 101.98 o
2 2 -4 1800.45 1919.90 61.55 o
4 2 -4 1313.73 1309.03 43.43 o
6 2 -4 1593.42 1468.10 61.33 o
8 2 -4 1094.69 899.76 79.96 o
10 2 -4 977.82 900.69 45.84 o
12 2 -4 8631.02 8185.94 222.82 o
14 2 -4 370.46 356.30 22.75 o
16 2 -4 509.02 432.13 24.67 o
18 2 -4 725.07 599.02 30.78 o
20 2 -4 535.47 397.46 55.03 o
22 2 -4 606.66 523.38 57.69 o
24 2 -4 291.77 231.08 46.08 o
26 2 -4 416.52 437.48 64.46 o
-23 3 -4 1457.80 1431.36 107.74 o
-21 3 -4 1427.16 1463.41 62.73 o
-19 3 -4 1031.62 1118.35 61.08 o
-17 3 -4 2828.48 2818.49 113.19 o
-15 3 -4 2166.44 2087.97 96.70 o
-13 3 -4 2530.06 2448.89 108.66 o
-11 3 -4 2796.59 2764.10 122.24 o
-9 3 -4 2678.94 2749.12 107.78 o
-7 3 -4 4285.07 4283.85 162.53 o
-5 3 -4 2952.14 3411.43 351.11 o
-3 3 -4 4914.52 5690.52 260.16 o
-1 3 -4 3347.71 4014.71 125.92 o
1 3 -4 1520.19 1638.87 107.95 o
3 3 -4 4557.14 5440.01 202.90 o
5 3 -4 3231.58 3476.13 150.27 o
7 3 -4 2291.01 2287.18 110.34 o
9 3 -4 2376.71 2246.72 116.59 o
11 3 -4 2153.26 1918.96 52.81 o
13 3 -4 1663.36 1520.66 52.15 o
15 3 -4 2762.87 2635.76 79.76 o
17 3 -4 1928.17 1763.16 66.17 o
19 3 -4 774.86 583.41 77.54 o
21 3 -4 1016.23 1058.70 67.25 o
23 3 -4 838.33 685.87 57.61 o
25 3 -4 862.67 791.34 150.27 o
-22 4 -4 1.38 19.01 18.69 o
-20 4 -4 104.02 140.00 23.49 o
-18 4 -4 78.07 50.76 19.68 o
-16 4 -4 7.57 6.57 18.45 o
-14 4 -4 169.48 178.86 35.64 o
-12 4 -4 75.41 79.89 31.85 o
-10 4 -4 325.66 454.67 74.79 o
-8 4 -4 257.88 208.44 36.29 o
-6 4 -4 27.29 0.02 64.70 o
-4 4 -4 78.12 62.89 16.59 o
-2 4 -4 7.95 -3.73 12.82 o
0 4 -4 518.79 558.03 46.00 o
2 4 -4 191.28 220.78 26.20 o
4 4 -4 250.49 236.05 42.02 o
6 4 -4 158.98 135.42 19.24 o
8 4 -4 16.54 -1.30 12.44 o
10 4 -4 110.86 102.94 15.49 o
12 4 -4 181.91 190.49 24.42 o
14 4 -4 157.77 156.27 24.61 o
16 4 -4 43.76 41.79 15.32 o
18 4 -4 58.25 53.07 17.06 o
20 4 -4 103.84 92.43 24.57 o
22 4 -4 144.58 116.01 28.92 o
-19 5 -4 571.30 599.25 51.98 o
-17 5 -4 1292.73 1312.39 106.87 o
-15 5 -4 789.09 760.27 81.31 o
-13 5 -4 1295.51 1376.41 104.45 o
-11 5 -4 1300.44 1373.25 102.38 o
-9 5 -4 974.54 1003.25 86.45 o
-7 5 -4 1801.86 2019.07 125.05 o
-5 5 -4 1452.30 1647.75 137.27 o
-3 5 -4 1745.22 2003.77 157.27 o
-1 5 -4 1434.28 1586.81 76.46 o
1 5 -4 943.73 1100.56 87.49 o
3 5 -4 1657.98 1766.31 186.44 o
5 5 -4 1162.64 1146.70 81.06 o
7 5 -4 1022.80 976.70 64.47 o
9 5 -4 864.53 834.52 64.83 o
11 5 -4 995.65 943.63 51.07 o
13 5 -4 864.65 819.42 62.45 o
15 5 -4 1068.03 1045.99 54.57 o
17 5 -4 810.41 741.27 46.99 o
19 5 -4 339.77 313.86 35.55 o
-14 6 -4 1067.50 1307.89 111.57 o
-12 6 -4 413.71 436.64 63.14 o
-10 6 -4 762.47 921.13 143.44 o
-8 6 -4 499.56 567.50 103.99 o
-6 6 -4 702.53 741.69 65.58 o
-4 6 -4 925.19 1081.98 89.78 o
-2 6 -4 431.10 516.94 44.87 o
0 6 -4 775.89 864.60 67.75 o
2 6 -4 1295.55 1393.45 135.80 o
4 6 -4 824.28 803.15 73.06 o
6 6 -4 1140.98 1126.96 92.95 o
8 6 -4 125.41 113.12 25.11 o
10 6 -4 621.68 672.25 69.84 o
12 6 -4 875.37 893.15 80.21 o
14 6 -4 293.29 257.79 46.86 o
16 6 -4 192.91 154.92 60.22 o
-7 7 -4 69.03 95.69 27.80 o
-5 7 -4 156.33 172.96 35.28 o
-3 7 -4 3.95 44.44 40.70 o
-1 7 -4 134.43 175.94 35.19 o
1 7 -4 152.86 192.11 32.11 o
3 7 -4 15.28 4.92 21.98 o
5 7 -4 26.73 29.28 19.89 o
7 7 -4 36.98 44.15 20.25 o
9 7 -4 54.67 74.18 34.91 o
-29 1 -3 491.87 402.18 59.28 o
-27 1 -3 1872.93 1806.25 121.18 o
-25 1 -3 1776.28 1698.13 111.16 o
-23 1 -3 2104.56 2110.00 117.99 o
-21 1 -3 2514.89 2325.50 102.06 o
-19 1 -3 2288.03 2168.61 70.25 o
-17 1 -3 4235.07 4273.02 135.70 o
-15 1 -3 2853.67 2855.80 146.06 o
-13 1 -3 7925.70 7910.00 189.77 o
-11 1 -3 2254.65 2124.75 79.21 o
-9 1 -3 4828.68 4858.35 119.72 o
-7 1 -3 7497.29 8314.72 157.45 o
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