#------------------------------------------------------------------------------
#$Date: 2023-10-11 05:12:56 +0300 (Wed, 11 Oct 2023) $
#$Revision: 286892 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022914.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_2022914
_cell_angle_alpha                90.000
_cell_angle_beta                 96.423
_cell_angle_gamma                90.000
_cell_length_a                   7.3473
_cell_length_b                   22.0860
_cell_length_c                   8.5066
_exptl_crystal_F_000             1096.00
_reflns_d_resolution_high        0.6914
_cod_data_source_file            yz20407sup6.hkl
_cod_data_source_block           7
_shelx_title                     ' Cognac in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            556.54
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 125656.27 126337.28 1006.23 o
2 0 0 89353.82 92363.09 604.25 o
3 0 0 98467.91 100159.49 806.89 o
4 0 0 242323.06 245758.05 1911.47 o
5 0 0 11263.28 11166.27 225.32 o
6 0 0 36029.58 36569.41 535.84 o
7 0 0 51159.76 51344.55 705.60 o
8 0 0 33007.41 33321.13 669.33 o
9 0 0 1180.21 1091.25 169.96 o
10 0 0 6584.35 6766.68 539.05 o
1 1 0 973.51 1011.93 17.93 o
2 1 0 1347.96 1507.49 30.36 o
3 1 0 16988.08 17295.23 154.27 o
4 1 0 35536.89 36305.10 291.75 o
5 1 0 4278.06 4463.53 106.59 o
6 1 0 5906.98 6047.02 136.61 o
7 1 0 35007.50 35299.21 449.14 o
8 1 0 23199.39 23316.32 388.83 o
9 1 0 1776.58 1722.84 134.54 o
10 1 0 11037.49 10731.69 575.15 o
1 2 0 103158.12 105154.41 412.09 o
2 2 0 935.71 1081.83 34.53 o
3 2 0 173229.66 177106.33 807.16 o
4 2 0 116989.75 118024.51 747.01 o
5 2 0 17865.65 17642.24 222.41 o
6 2 0 5618.55 5779.99 132.99 o
7 2 0 52319.53 53446.56 524.11 o
8 2 0 16106.52 16475.07 323.57 o
9 2 0 3179.14 3370.72 190.95 o
10 2 0 5177.40 5245.48 333.00 o
1 3 0 513.43 509.98 17.60 o
2 3 0 640.85 967.72 27.27 o
3 3 0 5691.95 5793.01 86.30 o
4 3 0 10487.46 10751.27 156.84 o
5 3 0 210.54 198.23 24.76 o
6 3 0 64.11 190.06 48.66 o
7 3 0 21363.16 20977.49 308.86 o
8 3 0 8250.12 7817.66 300.59 o
9 3 0 26.48 73.62 81.18 o
10 3 0 2821.01 2874.78 257.68 o
0 4 0 108576.19 108609.29 746.09 o
1 4 0 34807.29 34678.65 196.13 o
2 4 0 6826.33 7304.63 74.45 o
3 4 0 86911.75 88316.66 485.56 o
4 4 0 66078.38 66213.29 481.85 o
5 4 0 3769.40 3795.11 102.25 o
6 4 0 1118.21 1224.27 65.90 o
7 4 0 35995.66 36277.06 427.65 o
8 4 0 11449.26 11304.98 235.70 o
9 4 0 1731.89 2014.98 147.44 o
10 4 0 4640.00 4950.50 331.15 o
1 5 0 10.89 86.85 24.26 o
2 5 0 2374.19 2565.93 43.53 o
3 5 0 187.39 208.87 27.96 o
4 5 0 4032.15 3905.95 96.75 o
5 5 0 1326.63 1444.50 59.16 o
6 5 0 439.12 529.35 47.54 o
7 5 0 9870.91 9892.02 193.41 o
8 5 0 4114.36 3950.07 149.22 o
9 5 0 913.74 1089.18 116.35 o
10 5 0 1115.30 1124.50 230.12 o
0 6 0 255355.56 258428.59 1575.80 o
1 6 0 1313.89 1242.25 38.27 o
2 6 0 1600.77 2022.54 79.07 o
3 6 0 20084.00 19390.14 197.19 o
4 6 0 95868.93 95261.28 646.49 o
5 6 0 243.91 606.72 71.94 o
6 6 0 8552.08 8934.46 181.85 o
7 6 0 24370.80 24511.75 313.78 o
8 6 0 17726.04 17755.88 302.93 o
9 6 0 421.91 460.54 105.51 o
10 6 0 5963.97 5924.46 528.33 o
1 7 0 345.75 391.14 28.64 o
2 7 0 3.00 8.25 20.95 o
3 7 0 5790.86 5814.38 132.20 o
4 7 0 17193.94 16344.78 184.01 o
5 7 0 314.94 301.31 47.21 o
6 7 0 331.78 367.70 54.47 o
7 7 0 15596.02 15414.71 268.60 o
8 7 0 10114.77 10061.30 228.21 o
9 7 0 83.39 179.60 89.21 o
10 7 0 4721.85 3968.72 699.55 o
0 8 0 231514.95 236284.59 1586.96 o
1 8 0 111408.73 111399.37 652.89 o
2 8 0 3995.24 4103.57 86.93 o
3 8 0 139404.45 137895.39 1154.90 o
4 8 0 95692.93 93910.93 655.81 o
5 8 0 18445.05 18435.73 249.05 o
6 8 0 7002.37 6974.28 185.34 o
7 8 0 49006.12 48597.72 514.99 o
8 8 0 13547.17 13940.11 291.02 o
9 8 0 2930.03 2765.62 177.22 o
1 9 0 1529.75 1606.73 63.48 o
2 9 0 554.97 631.37 48.73 o
3 9 0 10703.01 10513.11 186.88 o
4 9 0 24653.11 24429.22 304.17 o
5 9 0 5317.87 5371.34 132.68 o
6 9 0 4103.25 4041.60 126.69 o
7 9 0 29262.36 29575.90 390.53 o
8 9 0 19092.97 19241.11 340.50 o
9 9 0 2366.34 2623.95 176.94 o
10 9 0 8693.80 9508.05 1145.28 o
0 10 0 305512.19 314796.53 2943.19 o
1 10 0 112402.40 115912.58 816.49 o
2 10 0 19749.21 19502.96 263.36 o
3 10 0 124647.83 123004.55 894.84 o
4 10 0 116715.06 114547.47 861.31 o
5 10 0 19519.90 19638.71 293.47 o
6 10 0 15441.59 15456.28 262.25 o
7 10 0 47956.18 47897.55 522.53 o
8 10 0 16984.99 17459.27 366.87 o
9 10 0 2401.11 2455.50 169.66 o
10 10 0 4808.09 4820.15 879.67 o
1 11 0 2156.90 2341.64 105.57 o
2 11 0 418.37 434.90 70.97 o
3 11 0 6488.72 6261.95 158.62 o
4 11 0 20121.06 19474.71 281.41 o
5 11 0 4457.68 4363.84 139.82 o
6 11 0 4212.18 4228.67 161.12 o
7 11 0 26221.41 25843.30 412.80 o
8 11 0 17452.43 16530.81 381.98 o
9 11 0 1601.24 1631.16 147.45 o
0 12 0 159082.28 159516.53 1530.52 o
1 12 0 15441.77 15117.76 263.78 o
2 12 0 15735.16 15656.07 262.95 o
3 12 0 56862.38 55827.00 547.55 o
4 12 0 99979.84 97999.45 821.21 o
5 12 0 2832.82 2808.45 116.18 o
6 12 0 10317.85 10400.08 271.41 o
7 12 0 22559.01 22693.81 407.65 o
8 12 0 14023.82 13914.87 354.79 o
9 12 0 1087.52 1243.85 147.23 o
2 13 0 656.79 726.69 66.42 o
3 13 0 582.91 838.12 77.20 o
4 13 0 4925.90 4823.75 123.87 o
5 13 0 68.35 184.36 78.26 o
6 13 0 120.84 237.31 65.71 o
7 13 0 8376.97 8066.15 246.26 o
8 13 0 4507.29 4664.28 228.40 o
9 13 0 16.90 71.81 113.45 o
0 14 0 40737.93 43928.76 636.52 o
1 14 0 18062.23 18329.45 313.71 o
2 14 0 4811.15 5571.94 158.43 o
3 14 0 37107.13 36511.46 424.61 o
4 14 0 20152.88 20687.06 316.28 o
5 14 0 2407.28 2463.64 114.12 o
6 14 0 694.08 713.72 84.35 o
7 14 0 24413.70 23787.63 432.30 o
8 14 0 4871.85 4989.17 238.43 o
9 14 0 1438.84 952.91 196.45 o
1 15 0 529.73 564.01 76.60 o
2 15 0 611.48 709.85 87.52 o
3 15 0 45.35 17.91 55.05 o
4 15 0 3892.83 3687.02 136.67 o
5 15 0 82.78 77.20 59.38 o
6 15 0 603.38 638.77 86.96 o
7 15 0 3247.60 3210.05 205.53 o
8 15 0 2743.52 2790.87 187.16 o
9 15 0 178.38 -3.96 125.49 o
0 16 0 71883.77 71584.02 912.01 o
1 16 0 8352.38 8502.77 215.91 o
2 16 0 103.91 225.05 64.46 o
3 16 0 16664.79 17120.92 293.10 o
4 16 0 27529.15 27496.47 389.75 o
5 16 0 663.42 1001.81 93.42 o
6 16 0 4504.16 4579.26 183.67 o
7 16 0 18318.26 17427.21 415.93 o
8 16 0 6379.13 5856.32 265.04 o
9 16 0 564.33 658.93 277.82 o
1 17 0 1157.91 1221.67 97.35 o
2 17 0 2.81 242.87 83.35 o
3 17 0 556.71 663.59 85.81 o
4 17 0 8572.06 8345.24 214.79 o
5 17 0 697.04 770.90 99.81 o
6 17 0 229.60 384.68 89.53 o
7 17 0 6430.48 6248.62 244.02 o
8 17 0 7088.09 6873.84 287.48 o
0 18 0 107717.40 109482.64 1847.27 o
1 18 0 20709.53 21103.53 423.30 o
2 18 0 18189.52 18288.78 430.61 o
3 18 0 46500.95 45775.51 570.59 o
4 18 0 65818.52 64187.20 714.00 o
5 18 0 4368.65 4593.84 200.64 o
6 18 0 10079.86 10153.70 269.07 o
7 18 0 16339.53 16269.59 378.85 o
8 18 0 8296.23 7793.52 374.22 o
1 19 0 2940.87 3039.94 136.43 o
2 19 0 187.51 206.16 73.87 o
3 19 0 2526.38 2739.24 130.12 o
4 19 0 11094.40 10922.79 258.74 o
5 19 0 6309.77 6260.37 211.48 o
6 19 0 2361.27 2394.75 151.39 o
7 19 0 15685.69 15996.38 404.11 o
8 19 0 11404.25 11511.19 587.16 o
0 20 0 62316.18 63090.41 903.35 o
1 20 0 49886.56 50701.70 978.08 o
2 20 0 5428.75 5554.28 205.09 o
3 20 0 63681.11 64174.01 863.06 o
4 20 0 31606.87 31835.68 463.60 o
5 20 0 12720.18 13177.00 306.73 o
6 20 0 6070.80 6276.73 286.75 o
7 20 0 25032.13 24889.20 514.11 o
1 21 0 2235.34 2479.05 254.46 o
2 21 0 18.47 40.24 74.88 o
3 21 0 644.68 815.01 98.32 o
4 21 0 7511.87 7753.97 241.27 o
5 21 0 3145.49 2968.95 156.68 o
6 21 0 843.31 872.99 114.95 o
7 21 0 7769.90 6824.02 443.05 o
0 22 0 43847.99 42308.37 921.45 o
1 22 0 8644.85 8053.23 317.33 o
2 22 0 3884.25 4114.38 205.05 o
3 22 0 17822.82 17567.71 438.65 o
4 22 0 22355.50 22649.90 618.52 o
5 22 0 1512.21 1300.85 121.64 o
6 22 0 5265.63 4979.83 256.70 o
1 23 0 1036.39 955.46 133.95 o
2 23 0 205.58 323.10 90.90 o
3 23 0 165.30 242.15 105.41 o
4 23 0 2675.88 2701.25 173.80 o
5 23 0 63.21 216.04 79.52 o
6 23 0 244.21 315.63 148.63 o
0 24 0 15052.06 15069.77 1221.03 o
1 24 0 127.73 434.70 136.20 o
2 24 0 27.70 -0.84 85.73 o
3 24 0 2618.73 2727.78 183.69 o
4 24 0 7407.35 7788.74 291.19 o
5 24 0 149.79 294.77 136.59 o
6 24 0 2002.33 1924.00 477.57 o
1 25 0 1210.08 1141.23 161.30 o
2 25 0 428.22 359.12 90.96 o
3 25 0 362.68 315.81 107.22 o
4 25 0 918.66 980.96 126.68 o
5 25 0 83.69 255.57 151.48 o
6 25 0 658.28 234.13 286.72 o
0 26 0 8281.85 8535.81 625.09 o
1 26 0 6360.24 6149.08 306.13 o
2 26 0 99.38 137.13 102.17 o
3 26 0 11815.18 11727.83 353.22 o
4 26 0 4072.58 3979.70 251.02 o
5 26 0 1319.26 1240.28 381.12 o
6 26 0 1078.81 1004.89 401.41 o
1 27 0 1765.76 2079.72 235.12 o
2 27 0 23.33 35.35 90.77 o
3 27 0 20.51 173.03 130.34 o
4 27 0 2474.35 2256.41 221.66 o
5 27 0 1418.07 1888.18 514.19 o
0 28 0 20486.85 19530.48 980.75 o
1 28 0 6978.10 6727.23 393.83 o
2 28 0 6772.56 6651.13 331.52 o
3 28 0 16414.80 15260.77 545.44 o
4 28 0 15114.52 13142.03 900.86 o
1 29 0 2181.26 2048.81 244.34 o
2 29 0 107.99 272.20 134.24 o
3 29 0 131.66 320.07 194.49 o
4 29 0 4961.04 6288.32 784.57 o
0 30 0 24871.92 23666.58 1122.84 o
1 30 0 9325.79 9926.64 468.55 o
2 30 0 6458.63 5841.05 447.99 o
3 30 0 9859.98 9268.01 670.01 o
1 31 0 1507.29 1555.11 317.66 o
2 31 0 3.56 -152.61 214.58 o
-10 1 1 266.02 587.57 287.65 o
-9 1 1 307.76 254.79 81.91 o
-8 1 1 679.02 638.44 87.10 o
-7 1 1 936.83 975.85 69.56 o
-6 1 1 2044.35 2220.93 86.46 o
-5 1 1 1451.20 1369.46 56.93 o
-4 1 1 1362.45 1351.23 46.67 o
-3 1 1 900.87 983.72 37.27 o
-2 1 1 1557.63 1670.55 32.35 o
-1 1 1 933.03 1208.66 21.89 o
0 1 1 113.91 163.05 12.71 o
2 1 1 229.75 293.61 18.83 o
3 1 1 16.00 89.43 25.66 o
4 1 1 1012.76 1023.59 47.44 o
5 1 1 248.09 239.59 35.11 o
6 1 1 887.30 984.66 62.47 o
7 1 1 251.39 224.75 62.60 o
8 1 1 1077.19 1134.01 107.29 o
9 1 1 136.70 190.87 84.31 o
10 1 1 216.30 277.77 213.71 o
-10 2 1 2.17 48.84 201.90 o
-9 2 1 150.90 254.77 82.58 o
-8 2 1 2.29 113.34 67.85 o
-7 2 1 333.49 296.53 58.22 o
-6 2 1 487.65 642.80 56.96 o
-5 2 1 288.63 423.01 38.53 o
-4 2 1 4628.02 4477.10 74.18 o
-3 2 1 2642.50 2802.04 50.79 o
-2 2 1 27061.03 28168.58 144.00 o
-1 2 1 1696.32 1864.55 25.74 o
0 2 1 3919.53 4244.35 41.86 o
1 2 1 1511.81 1591.89 30.38 o
2 2 1 17351.29 17753.07 112.15 o
3 2 1 1433.46 1610.42 46.44 o
4 2 1 10229.82 10335.35 137.42 o
5 2 1 1224.73 1230.10 63.35 o
6 2 1 1726.19 1662.08 72.44 o
7 2 1 43.02 92.74 55.34 o
8 2 1 314.88 429.52 80.25 o
9 2 1 36.44 28.94 79.84 o
10 2 1 53.98 7.27 117.52 o
-10 3 1 497.34 462.95 204.86 o
-9 3 1 472.49 376.40 96.97 o
-8 3 1 580.16 706.28 80.31 o
-7 3 1 986.89 957.63 79.19 o
-6 3 1 3513.88 3586.19 106.96 o
-5 3 1 2084.78 2008.51 87.18 o
-4 3 1 947.06 931.00 44.51 o
-3 3 1 951.58 962.55 33.87 o
-2 3 1 3910.12 4085.57 43.79 o
-1 3 1 1765.20 1958.56 33.63 o
0 3 1 319.29 439.94 25.40 o
1 3 1 98.26 224.80 11.59 o
2 3 1 546.63 551.64 18.29 o
3 3 1 217.96 340.71 25.77 o
4 3 1 107.72 127.28 29.94 o
5 3 1 411.10 454.90 42.59 o
6 3 1 252.06 178.42 56.83 o
7 3 1 514.60 554.27 75.51 o
8 3 1 1157.23 1272.67 104.50 o
9 3 1 317.20 407.35 84.11 o
10 3 1 29.12 46.68 112.46 o
-10 4 1 303.04 -61.60 142.67 o
-9 4 1 220.60 252.18 81.77 o
-8 4 1 984.21 1040.33 85.05 o
-7 4 1 219.73 185.63 52.56 o
-6 4 1 15.37 2.60 39.65 o
-5 4 1 72.66 77.41 30.13 o
-4 4 1 3199.15 3398.22 69.80 o
-3 4 1 1111.79 1162.20 37.95 o
-2 4 1 1621.49 1828.64 31.29 o
-1 4 1 2219.30 2661.27 37.76 o
0 4 1 4.14 136.70 24.42 o
1 4 1 18116.37 18866.39 109.87 o
2 4 1 364.56 392.78 18.41 o
3 4 1 18.64 166.42 26.17 o
4 4 1 1059.91 1338.90 62.12 o
5 4 1 1671.48 1729.61 71.37 o
6 4 1 122.09 273.03 62.20 o
7 4 1 33.38 0.41 56.22 o
8 4 1 34.85 237.70 89.52 o
9 4 1 46.11 196.30 79.88 o
10 4 1 230.40 126.52 153.78 o
-10 5 1 14.52 -143.89 143.89 o
-9 5 1 14.27 58.10 81.67 o
-8 5 1 1096.64 1068.42 99.36 o
-7 5 1 546.41 601.42 62.24 o
-6 5 1 72.08 145.08 35.40 o
-5 5 1 46.01 140.02 40.44 o
-4 5 1 1096.55 1084.87 50.42 o
-3 5 1 9.04 54.15 23.83 o
-2 5 1 80.31 170.67 15.68 o
0 5 1 551.20 661.24 25.89 o
2 5 1 770.11 824.36 25.44 o
3 5 1 48.13 90.56 23.18 o
4 5 1 44.91 73.71 30.52 o
5 5 1 18.05 47.76 27.41 o
6 5 1 1706.67 1609.94 83.22 o
7 5 1 504.70 588.74 70.25 o
8 5 1 122.31 97.40 80.18 o
9 5 1 60.21 130.42 91.73 o
10 5 1 779.51 831.92 214.60 o
-10 6 1 6.03 145.56 146.56 o
-9 6 1 549.52 761.01 137.39 o
-8 6 1 1417.23 1445.35 114.95 o
-7 6 1 719.85 762.24 87.71 o
-6 6 1 947.64 961.84 63.88 o
-5 6 1 6604.27 6445.63 141.15 o
-4 6 1 10552.03 10606.57 147.17 o
-3 6 1 4699.32 4751.95 71.54 o
-2 6 1 9212.97 9404.56 97.83 o
-1 6 1 26236.69 26371.23 177.49 o
0 6 1 25112.87 25319.17 167.74 o
1 6 1 6072.78 6227.45 73.63 o
2 6 1 12637.54 12651.75 117.99 o
3 6 1 20461.27 20564.78 192.74 o
4 6 1 7966.42 8313.11 133.61 o
5 6 1 2242.89 2155.49 84.27 o
6 6 1 3848.81 3847.40 121.55 o
7 6 1 4355.46 4459.45 159.35 o
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9 6 1 235.83 348.61 109.16 o
10 6 1 325.85 329.17 401.41 o
-10 7 1 1067.45 1120.45 192.13 o
-9 7 1 1492.47 1426.62 135.59 o
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-6 7 1 3185.31 3177.52 106.23 o
-5 7 1 4606.58 4699.48 120.92 o
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6 7 1 6214.71 6479.30 163.80 o
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9 7 1 2103.48 2096.71 147.46 o
10 7 1 3035.42 3465.10 587.96 o
-10 8 1 10.35 -14.73 178.62 o
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-5 8 1 12364.47 12637.57 194.31 o
-4 8 1 9727.20 9373.11 135.29 o
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-2 8 1 5230.94 4999.14 90.82 o
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1 8 1 10161.12 9928.99 119.90 o
2 8 1 10384.46 10129.62 110.67 o
3 8 1 38211.26 36145.79 287.57 o
4 8 1 8367.05 8380.66 147.10 o
5 8 1 4914.26 5096.69 130.67 o
6 8 1 4786.26 4745.83 152.87 o
7 8 1 7980.26 8567.32 219.13 o
8 8 1 1198.53 1338.04 104.88 o
9 8 1 568.36 589.01 102.58 o
10 8 1 651.35 380.40 236.68 o
-10 9 1 347.53 1230.50 536.48 o
-9 9 1 1047.63 960.22 111.69 o
-8 9 1 3350.66 3176.72 151.25 o
-7 9 1 2733.48 2742.39 110.21 o
-6 9 1 25.72 66.38 49.15 o
-5 9 1 1513.53 1498.81 75.45 o
-4 9 1 4622.84 4559.44 102.26 o
-3 9 1 3180.93 3233.51 78.92 o
-2 9 1 102.79 113.42 29.09 o
-1 9 1 375.04 565.23 45.45 o
0 9 1 1950.58 2032.17 71.75 o
1 9 1 949.73 1041.81 48.01 o
2 9 1 1918.17 1859.86 53.85 o
3 9 1 2070.48 2067.46 62.84 o
4 9 1 242.01 213.58 37.75 o
5 9 1 479.44 562.23 54.53 o
6 9 1 3781.81 3576.92 132.04 o
7 9 1 1700.44 1689.91 108.90 o
8 9 1 111.61 170.48 73.18 o
9 9 1 949.62 1034.61 125.73 o
-9 10 1 930.49 1037.70 121.84 o
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-7 10 1 439.55 542.13 72.18 o
-6 10 1 1210.41 1208.35 89.48 o
-5 10 1 4370.94 4461.10 135.64 o
-4 10 1 11031.42 10141.00 249.03 o
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