#------------------------------------------------------------------------------
#$Date: 2019-05-15 08:10:35 +0300 (Wed, 15 May 2019) $
#$Revision: 215177 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/10/1551060.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_1551060
_cell_angle_alpha                90.000
_cell_angle_beta                 95.762
_cell_angle_gamma                90.000
_cell_length_a                   6.8542
_cell_length_b                   19.9526
_cell_length_c                   7.6704
_exptl_crystal_F_000             520.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            sj4205Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' k02142 : space group P21/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            215.39
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 46392.08 44662.21 766.18 o
4 0 0 10169.30 10782.77 321.42 o
6 0 0 1392.99 1444.22 91.08 o
8 0 0 911.06 883.46 198.19 o
1 1 0 194.37 198.02 4.25 o
2 1 0 604.56 590.81 10.82 o
3 1 0 59.05 48.56 4.82 o
4 1 0 32.65 28.98 5.85 o
5 1 0 55.19 29.54 10.29 o
6 1 0 88.90 83.62 13.56 o
7 1 0 7.73 14.94 27.86 o
8 1 0 472.33 530.90 91.12 o
0 2 0 1154.13 1105.91 22.02 o
1 2 0 46.97 46.33 7.36 o
2 2 0 16944.82 16692.11 215.24 o
3 2 0 1049.58 984.10 16.98 o
4 2 0 6840.76 7112.48 153.91 o
5 2 0 773.56 730.19 55.82 o
6 2 0 2901.71 3122.89 131.23 o
7 2 0 643.46 581.05 73.28 o
8 2 0 532.15 597.18 95.29 o
1 3 0 283.74 273.95 10.10 o
2 3 0 146.78 129.99 6.91 o
3 3 0 1921.88 1983.09 33.07 o
4 3 0 2523.96 2598.93 61.56 o
5 3 0 172.42 168.60 12.50 o
6 3 0 1710.67 1774.78 92.97 o
7 3 0 521.97 553.14 60.86 o
8 3 0 255.70 203.28 50.51 o
0 4 0 1953.34 1836.94 36.18 o
1 4 0 822.33 833.73 18.46 o
2 4 0 149.63 136.97 13.29 o
3 4 0 73.03 58.49 6.51 o
4 4 0 0.21 12.32 6.21 o
5 4 0 34.03 46.22 14.38 o
6 4 0 475.53 409.45 36.15 o
7 4 0 12.55 52.89 28.73 o
1 5 0 579.72 554.51 13.87 o
2 5 0 155.50 185.38 11.16 o
3 5 0 98.97 116.04 4.25 o
4 5 0 243.78 209.71 20.73 o
5 5 0 44.26 45.43 12.76 o
6 5 0 387.87 455.88 37.60 o
7 5 0 131.39 82.13 29.50 o
0 6 0 129.15 129.24 16.57 o
1 6 0 650.24 638.61 15.15 o
2 6 0 210.60 176.15 8.67 o
3 6 0 52.32 72.69 6.66 o
4 6 0 1674.70 1648.78 47.77 o
5 6 0 55.77 49.38 27.43 o
6 6 0 123.58 90.77 28.96 o
7 6 0 1.09 -2.31 28.00 o
1 7 0 274.47 260.21 11.70 o
2 7 0 296.91 312.72 18.61 o
3 7 0 1017.94 1032.79 26.72 o
4 7 0 52.37 44.58 12.28 o
5 7 0 709.69 724.20 49.82 o
6 7 0 98.32 103.98 22.88 o
7 7 0 44.34 31.46 30.10 o
0 8 0 5953.01 5852.76 117.70 o
1 8 0 5248.19 5351.64 91.38 o
2 8 0 2533.43 2621.16 44.93 o
3 8 0 3811.33 3902.59 90.00 o
4 8 0 1.91 29.47 12.76 o
5 8 0 1034.22 1044.53 60.60 o
6 8 0 88.90 92.54 25.84 o
7 8 0 832.43 781.95 87.04 o
1 9 0 27.34 34.62 9.04 o
2 9 0 10.13 2.17 7.44 o
3 9 0 151.34 155.58 9.40 o
4 9 0 62.78 69.17 14.97 o
5 9 0 13.05 39.48 17.17 o
6 9 0 151.19 153.99 27.96 o
7 9 0 45.99 43.91 30.15 o
0 10 0 2601.15 2632.65 54.51 o
1 10 0 9177.64 9406.51 158.28 o
2 10 0 861.74 820.38 26.58 o
3 10 0 4583.87 4815.40 130.66 o
4 10 0 29.82 20.59 15.27 o
5 10 0 2917.45 2964.20 158.27 o
6 10 0 127.86 170.17 37.50 o
7 10 0 635.13 530.84 73.46 o
1 11 0 43.18 42.82 8.25 o
2 11 0 36.24 45.16 9.85 o
3 11 0 54.41 35.10 8.07 o
4 11 0 479.35 438.24 27.76 o
5 11 0 55.44 57.87 21.96 o
6 11 0 3.21 -4.98 42.24 o
7 11 0 146.97 157.65 38.45 o
0 12 0 2076.25 2107.97 68.10 o
1 12 0 77.29 82.74 9.42 o
2 12 0 1963.01 1908.15 52.82 o
3 12 0 343.16 347.35 21.52 o
4 12 0 1077.64 1067.37 53.03 o
5 12 0 264.80 238.46 29.61 o
6 12 0 123.05 200.02 56.69 o
1 13 0 19.41 33.21 10.36 o
2 13 0 363.21 368.50 21.75 o
3 13 0 56.14 34.39 14.18 o
4 13 0 1105.33 1133.73 52.82 o
5 13 0 167.26 170.41 27.48 o
6 13 0 348.43 371.56 58.83 o
0 14 0 217.77 155.27 19.40 o
1 14 0 172.76 190.15 15.82 o
2 14 0 343.72 351.81 23.18 o
3 14 0 13.97 19.01 19.24 o
4 14 0 22.17 10.54 15.60 o
5 14 0 116.70 83.34 26.72 o
6 14 0 101.17 63.01 54.60 o
1 15 0 0.65 11.25 10.60 o
2 15 0 97.08 67.77 18.08 o
3 15 0 263.42 292.22 49.78 o
4 15 0 40.55 47.70 18.93 o
5 15 0 321.18 354.47 49.14 o
6 15 0 7.69 29.31 43.00 o
0 16 0 89.77 103.26 27.62 o
1 16 0 142.49 152.10 18.27 o
2 16 0 226.80 188.15 18.85 o
3 16 0 580.70 586.83 46.80 o
4 16 0 135.23 168.57 29.58 o
5 16 0 404.54 411.08 70.98 o
1 17 0 276.08 239.05 21.40 o
2 17 0 23.92 50.69 17.77 o
3 17 0 0.20 -7.33 22.19 o
4 17 0 36.00 16.09 26.17 o
5 17 0 12.09 -12.18 30.84 o
0 18 0 1986.78 2052.92 168.41 o
1 18 0 301.68 273.12 53.16 o
2 18 0 1758.65 1867.45 122.68 o
3 18 0 4.15 55.51 29.17 o
4 18 0 579.60 689.29 89.26 o
5 18 0 70.23 163.91 49.06 o
1 19 0 511.04 511.77 63.77 o
2 19 0 56.27 24.37 23.91 o
3 19 0 36.75 19.98 35.96 o
4 19 0 38.15 137.79 47.02 o
0 20 0 1346.92 1344.42 162.07 o
1 20 0 904.48 818.93 102.19 o
2 20 0 1863.16 1764.75 198.34 o
3 20 0 84.68 106.39 47.81 o
4 20 0 368.00 356.06 69.34 o
1 21 0 206.10 216.59 68.14 o
2 21 0 13.16 -22.51 36.83 o
3 21 0 12.88 6.60 75.51 o
0 22 0 0.99 -47.88 77.35 o
1 22 0 9.56 70.10 41.43 o
2 22 0 296.00 293.78 72.22 o
3 22 0 478.41 594.12 117.46 o
1 23 0 7.99 111.73 70.18 o
-7 0 1 11.84 18.21 45.08 o
-5 0 1 2964.56 3051.53 177.05 o
-3 0 1 6531.63 6573.58 138.89 o
-1 0 1 14871.04 14260.88 269.93 o
1 0 1 810.04 824.43 27.25 o
3 0 1 4489.50 4741.43 104.97 o
5 0 1 227.01 202.32 24.64 o
7 0 1 0.70 104.36 74.17 o
-8 1 1 8.91 36.40 44.94 o
-7 1 1 131.45 121.84 37.75 o
-6 1 1 306.65 255.14 23.61 o
-5 1 1 925.51 910.63 44.27 o
-4 1 1 202.91 220.14 10.82 o
-3 1 1 0.05 8.10 4.33 o
-2 1 1 1553.59 1622.58 22.40 o
-1 1 1 1183.22 1171.20 16.05 o
0 1 1 84.10 79.40 2.04 o
1 1 1 784.10 790.03 15.91 o
2 1 1 888.42 892.22 16.48 o
3 1 1 6.58 8.45 5.04 o
4 1 1 181.02 169.29 10.29 o
5 1 1 1105.55 1125.94 51.53 o
6 1 1 84.35 74.07 14.56 o
7 1 1 208.19 165.12 40.91 o
-8 2 1 551.64 458.80 79.84 o
-7 2 1 884.29 903.52 108.22 o
-6 2 1 1654.38 1735.39 78.46 o
-5 2 1 17.48 32.81 10.20 o
-4 2 1 2728.95 2799.08 62.73 o
-3 2 1 8.89 3.68 4.33 o
-2 2 1 6654.90 6509.11 79.81 o
-1 2 1 413.17 417.22 7.37 o
0 2 1 56.04 54.82 3.72 o
1 2 1 10521.05 10224.59 159.85 o
2 2 1 50.70 39.27 4.33 o
3 2 1 83.38 95.76 6.74 o
4 2 1 478.23 490.37 17.54 o
5 2 1 169.44 151.42 13.97 o
6 2 1 75.05 47.29 18.08 o
7 2 1 11.95 34.33 33.45 o
-8 3 1 15.17 -15.30 79.19 o
-7 3 1 683.16 686.22 79.95 o
-6 3 1 535.36 575.14 43.54 o
-5 3 1 181.47 168.42 16.48 o
-4 3 1 25.36 21.91 4.31 o
-3 3 1 592.39 583.07 11.18 o
-2 3 1 969.20 895.87 14.95 o
-1 3 1 588.31 580.44 9.58 o
0 3 1 1421.71 1390.52 24.79 o
1 3 1 2012.95 2045.91 38.91 o
2 3 1 1164.94 1094.90 21.33 o
3 3 1 471.35 508.35 13.72 o
4 3 1 869.44 894.18 25.62 o
5 3 1 41.95 41.17 10.07 o
6 3 1 818.56 856.21 59.61 o
7 3 1 3.65 -20.02 30.53 o
-8 4 1 238.55 204.47 59.99 o
-7 4 1 104.77 162.72 42.27 o
-6 4 1 112.28 79.13 26.27 o
-5 4 1 4.92 7.54 13.01 o
-4 4 1 182.55 167.92 9.56 o
-3 4 1 1059.77 1110.48 20.66 o
-2 4 1 68.04 58.16 3.97 o
-1 4 1 637.81 610.57 11.44 o
0 4 1 124.56 130.67 4.33 o
1 4 1 7549.22 7365.64 120.65 o
2 4 1 426.75 419.58 11.50 o
3 4 1 361.08 368.08 11.90 o
4 4 1 57.04 73.94 8.39 o
5 4 1 4.04 -3.98 8.93 o
6 4 1 0.29 24.34 24.25 o
7 4 1 192.21 170.65 33.82 o
-7 5 1 218.21 175.39 39.42 o
-6 5 1 0.08 -7.49 19.78 o
-5 5 1 58.43 48.63 20.66 o
-4 5 1 954.28 1002.69 29.16 o
-3 5 1 1214.54 1202.70 25.49 o
-2 5 1 816.55 790.31 15.55 o
-1 5 1 3345.44 3317.82 45.77 o
0 5 1 8277.40 7933.33 126.31 o
1 5 1 21407.65 20804.46 303.23 o
2 5 1 1786.49 1695.97 38.81 o
3 5 1 3783.85 3721.88 64.73 o
4 5 1 959.92 954.51 33.11 o
5 5 1 562.87 558.68 49.21 o
6 5 1 116.33 116.58 27.14 o
7 5 1 51.25 81.86 58.84 o
-7 6 1 409.54 437.68 58.49 o
-6 6 1 8.42 16.97 25.41 o
-5 6 1 266.73 285.92 39.61 o
-4 6 1 58.99 51.99 10.32 o
-3 6 1 864.63 963.25 22.56 o
-2 6 1 25.41 32.59 7.44 o
-1 6 1 349.50 348.14 8.51 o
0 6 1 134.70 130.43 8.41 o
1 6 1 887.42 881.16 26.83 o
2 6 1 254.08 247.12 10.63 o
3 6 1 228.53 236.61 13.82 o
4 6 1 0.71 17.36 9.07 o
5 6 1 28.59 19.58 20.24 o
6 6 1 197.35 111.28 24.44 o
7 6 1 0.03 57.69 36.06 o
-7 7 1 56.50 62.04 33.28 o
-6 7 1 131.77 119.13 25.98 o
-5 7 1 21.17 21.22 16.20 o
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-3 7 1 89.59 73.47 9.94 o
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-1 7 1 1402.82 1355.45 31.36 o
0 7 1 72.37 68.51 4.82 o
1 7 1 120.68 142.65 7.52 o
2 7 1 1.18 9.31 7.97 o
3 7 1 913.35 867.25 27.29 o
4 7 1 114.92 114.85 17.52 o
5 7 1 1361.00 1454.93 76.99 o
6 7 1 5.70 11.56 23.69 o
7 7 1 700.61 874.83 106.41 o
-7 8 1 389.98 425.23 64.30 o
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-1 8 1 2671.02 2835.97 44.96 o
0 8 1 1319.49 1310.17 23.11 o
1 8 1 1515.50 1536.23 26.57 o
2 8 1 698.03 675.96 18.82 o
3 8 1 39.34 36.39 8.59 o
4 8 1 20.31 19.62 6.89 o
5 8 1 86.66 55.86 12.41 o
6 8 1 235.25 252.03 42.04 o
7 8 1 518.44 549.69 79.33 o
-7 9 1 22.21 28.08 35.13 o
-6 9 1 7.03 7.75 23.47 o
-5 9 1 48.86 54.90 17.50 o
-4 9 1 0.01 -10.72 10.72 o
-3 9 1 3.83 2.76 8.47 o
-2 9 1 28.76 36.04 5.41 o
-1 9 1 37.18 49.25 4.75 o
0 9 1 328.95 368.59 10.10 o
1 9 1 104.82 86.70 10.67 o
2 9 1 3.85 2.10 5.71 o
3 9 1 0.60 0.60 11.52 o
4 9 1 37.88 22.45 13.81 o
5 9 1 226.83 219.01 24.89 o
6 9 1 89.80 96.90 29.25 o
7 9 1 0.15 38.44 33.19 o
-7 10 1 29.26 68.22 33.94 o
-6 10 1 803.72 840.96 75.33 o
-5 10 1 103.23 128.85 22.19 o
-4 10 1 1773.24 1831.18 89.42 o
-3 10 1 619.35 572.06 21.69 o
-2 10 1 1640.29 1602.56 39.51 o
-1 10 1 2.71 -2.95 6.91 o
0 10 1 925.98 903.48 28.40 o
1 10 1 26.77 55.19 35.62 o
2 10 1 551.25 554.25 19.62 o
3 10 1 136.37 144.36 14.77 o
4 10 1 483.97 457.62 26.96 o
5 10 1 87.36 92.94 26.03 o
6 10 1 19.78 30.55 30.13 o
7 10 1 437.58 341.99 58.89 o
-7 11 1 152.54 172.50 61.79 o
-6 11 1 0.85 -11.90 25.04 o
-5 11 1 267.45 282.35 31.56 o
-4 11 1 1.52 -4.19 11.73 o
-3 11 1 217.80 185.95 13.64 o
-2 11 1 37.51 33.24 6.35 o
-1 11 1 95.35 125.09 10.82 o
0 11 1 60.37 68.73 6.38 o
1 11 1 79.05 92.79 7.87 o
2 11 1 383.37 372.93 15.74 o
3 11 1 0.08 17.57 21.02 o
4 11 1 1251.41 1299.58 61.96 o
5 11 1 659.57 712.60 69.39 o
6 11 1 716.17 758.49 82.37 o
7 11 1 39.02 24.22 48.25 o
-7 12 1 314.82 356.29 84.99 o
-6 12 1 14.85 11.72 27.61 o
-5 12 1 469.15 455.96 53.65 o
-4 12 1 35.65 28.86 6.93 o
-3 12 1 247.17 229.15 23.26 o
-2 12 1 32.24 17.78 8.39 o
-1 12 1 1029.72 1037.77 29.27 o
0 12 1 249.71 260.24 16.11 o
1 12 1 293.59 256.17 15.42 o
2 12 1 5.45 6.55 9.22 o
3 12 1 12.83 9.90 24.99 o
4 12 1 10.46 11.71 14.91 o
5 12 1 336.53 373.10 38.16 o
6 12 1 4.76 16.16 30.43 o
-6 13 1 28.81 45.50 52.09 o
-5 13 1 0.06 31.88 19.78 o
-4 13 1 8.31 12.01 12.38 o
-3 13 1 585.84 561.71 43.84 o
-2 13 1 218.73 211.65 16.96 o
-1 13 1 3214.71 3176.65 95.11 o
0 13 1 66.07 74.43 8.51 o
1 13 1 4146.92 4107.28 107.74 o
2 13 1 6.01 1.74 13.85 o
3 13 1 1817.64 1879.71 82.83 o
4 13 1 86.38 109.33 16.69 o
5 13 1 315.10 360.11 43.37 o
6 13 1 8.82 43.72 34.43 o
-6 14 1 210.26 282.23 70.28 o
-5 14 1 143.13 136.00 34.69 o
-4 14 1 84.34 40.64 17.77 o
-3 14 1 9.84 7.89 9.67 o
-2 14 1 39.23 41.38 19.39 o
-1 14 1 711.78 719.40 41.80 o
0 14 1 695.16 676.98 34.03 o
1 14 1 255.23 262.23 19.45 o
2 14 1 1.16 18.70 13.56 o
3 14 1 389.63 407.11 23.79 o
4 14 1 105.15 78.80 34.20 o
5 14 1 120.72 107.52 29.16 o
6 14 1 57.68 96.15 39.48 o
-6 15 1 154.55 248.11 60.58 o
-5 15 1 126.34 73.92 81.67 o
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-3 15 1 198.83 182.38 22.99 o
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-1 15 1 556.55 564.91 29.95 o
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1 15 1 323.10 287.79 29.24 o
2 15 1 2382.26 2526.72 102.02 o
3 15 1 1292.26 1215.79 56.05 o
4 15 1 631.03 614.92 68.62 o
5 15 1 637.16 598.59 68.12 o
6 15 1 417.77 521.05 94.76 o
-6 16 1 85.22 87.69 60.07 o
-5 16 1 80.82 106.00 45.55 o
-4 16 1 2.63 25.70 35.99 o
-3 16 1 806.60 753.81 66.14 o
-2 16 1 2.93 27.36 14.58 o
-1 16 1 348.66 311.85 24.92 o
0 16 1 142.00 152.20 17.35 o
1 16 1 849.03 868.95 46.37 o
2 16 1 0.69 1.22 20.73 o
3 16 1 214.16 130.89 39.53 o
4 16 1 28.95 -19.83 27.48 o
5 16 1 2.48 -11.76 34.56 o
-5 17 1 80.50 78.11 59.73 o
-4 17 1 313.87 283.30 52.50 o
-3 17 1 14.66 12.77 24.80 o
-2 17 1 150.35 168.69 20.45 o
-1 17 1 89.97 67.99 16.39 o
0 17 1 174.66 147.69 17.73 o
1 17 1 36.16 38.92 13.89 o
2 17 1 141.69 118.86 30.15 o
3 17 1 710.28 672.79 76.53 o
4 17 1 128.51 152.89 32.56 o
5 17 1 269.25 318.58 56.32 o
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-3 18 1 247.17 265.06 70.36 o
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0 18 1 56.00 38.45 19.25 o
1 18 1 129.10 159.38 21.28 o
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3 18 1 44.60 47.71 28.87 o
4 18 1 16.87 57.77 38.70 o
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0 19 1 2.30 1.46 16.74 o
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0 20 1 440.56 431.50 45.80 o
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1 21 1 198.73 408.81 185.78 o
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3 21 1 172.23 179.17 62.49 o
-2 22 1 89.48 51.39 52.21 o
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1 22 1 252.55 302.14 67.29 o
2 22 1 116.23 33.72 60.91 o
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0 23 1 708.76 811.03 145.97 o
1 23 1 119.22 170.30 70.12 o
-8 0 2 164.02 210.92 71.49 o
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-4 0 2 6.91 7.37 10.42 o
-2 0 2 1834.88 1740.45 42.36 o
0 0 2 4641.50 4499.44 77.62 o
2 0 2 3273.72 3287.26 88.09 o
4 0 2 2183.90 2115.65 86.48 o
6 0 2 603.43 728.37 71.59 o
-8 1 2 11.47 14.23 33.71 o
-7 1 2 3.38 11.37 35.90 o
-6 1 2 10.85 20.60 14.45 o
-5 1 2 23.80 29.77 13.38 o
-4 1 2 365.62 339.59 13.29 o
-3 1 2 3.18 7.37 5.52 o
-2 1 2 1219.36 1299.31 19.63 o
-1 1 2 79.50 74.03 2.78 o
0 1 2 1068.56 1021.01 17.01 o
1 1 2 352.70 349.51 8.39 o
2 1 2 3314.81 3248.96 52.92 o
3 1 2 135.88 139.37 9.13 o
4 1 2 1685.38 1677.68 46.43 o
5 1 2 105.18 94.95 16.71 o
6 1 2 39.88 47.13 22.13 o
7 1 2 14.32 56.24 47.27 o
-8 2 2 48.26 91.99 51.89 o
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-3 2 2 204.22 210.17 8.14 o
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