#------------------------------------------------------------------------------
#$Date: 2020-04-21 06:11:03 +0300 (Tue, 21 Apr 2020) $
#$Revision: 250980 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/20/2022092.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_2022092
_cell_angle_alpha                90.000
_cell_angle_beta                 100.069
_cell_angle_gamma                90.000
_cell_length_a                   10.4617
_cell_length_b                   6.4681
_cell_length_c                   23.9656
_exptl_crystal_F_000             1040.00
_reflns_d_resolution_high        0.7776
_cod_data_source_file            fn33322_eb843_asup3.hkl
_cod_data_source_block           2_eb843_a
_shelx_title                     ' eb843_a.res in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            520.53
_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 26874.71 25408.03 1149.77 o
2 0 0 423.85 430.96 24.29 o
3 0 0 31308.89 29976.74 541.43 o
4 0 0 6797.64 6272.33 135.56 o
5 0 0 7349.24 7165.67 205.00 o
6 0 0 13162.92 12448.06 249.40 o
7 0 0 1004.67 1218.68 86.40 o
8 0 0 20719.05 20241.36 400.45 o
9 0 0 19767.31 19151.26 406.21 o
10 0 0 2828.89 2996.18 175.69 o
11 0 0 12862.78 12398.76 364.03 o
12 0 0 2701.72 2909.17 247.77 o
13 0 0 106.26 -72.17 257.19 o
1 1 0 2778.55 2784.84 41.30 o
2 1 0 491.10 517.45 29.65 o
3 1 0 30646.81 30290.67 324.25 o
4 1 0 5683.03 5513.07 79.19 o
5 1 0 29214.91 28771.12 323.96 o
6 1 0 29315.47 28569.02 361.67 o
7 1 0 0.52 1.23 27.89 o
8 1 0 4414.80 4400.50 117.30 o
9 1 0 159.53 237.09 42.41 o
10 1 0 22.43 80.15 39.65 o
11 1 0 2566.76 3151.72 136.09 o
12 1 0 1748.07 1857.80 128.78 o
13 1 0 1640.37 1960.64 145.87 o
0 2 0 4931.38 5324.67 117.84 o
1 2 0 45.97 30.58 16.79 o
2 2 0 4134.92 4225.17 68.84 o
3 2 0 465.10 556.43 32.92 o
4 2 0 472.62 488.85 31.42 o
5 2 0 913.98 1042.57 45.67 o
6 2 0 2708.87 2649.32 79.50 o
7 2 0 80.41 138.30 43.53 o
8 2 0 4.54 212.15 59.24 o
9 2 0 414.34 434.29 55.02 o
10 2 0 93.50 179.52 51.99 o
11 2 0 42.01 261.10 61.24 o
12 2 0 309.26 834.47 310.82 o
1 3 0 1228.57 1219.41 52.55 o
2 3 0 17164.26 17289.34 208.58 o
3 3 0 15911.59 16107.39 223.41 o
4 3 0 385.51 488.31 33.54 o
5 3 0 15829.47 15808.39 212.03 o
6 3 0 14423.35 14555.36 207.94 o
7 3 0 2068.33 2035.67 73.70 o
8 3 0 222.26 263.94 43.31 o
9 3 0 869.24 1203.55 101.26 o
10 3 0 1486.89 1554.57 138.85 o
11 3 0 1477.31 1567.76 142.23 o
12 3 0 389.36 480.39 104.58 o
0 4 0 27345.20 25946.11 423.64 o
1 4 0 2513.57 2214.25 67.07 o
2 4 0 17048.42 17308.45 246.91 o
3 4 0 14626.82 14296.19 217.62 o
4 4 0 225.31 265.38 33.14 o
5 4 0 274.47 333.68 42.35 o
6 4 0 303.98 356.87 38.77 o
7 4 0 337.16 401.39 44.36 o
8 4 0 18575.60 18417.63 318.07 o
9 4 0 7683.62 6989.33 221.48 o
10 4 0 983.69 1010.22 107.77 o
11 4 0 8131.58 7532.76 308.99 o
1 5 0 5735.50 5529.56 123.70 o
2 5 0 938.88 1134.67 98.69 o
3 5 0 17763.99 17763.62 272.05 o
4 5 0 2948.24 2816.39 83.30 o
5 5 0 6623.72 6602.24 138.52 o
6 5 0 6746.52 6817.12 148.52 o
7 5 0 77.05 132.80 36.16 o
8 5 0 4358.46 4199.77 145.82 o
9 5 0 1269.17 1237.64 115.40 o
10 5 0 216.37 391.11 85.75 o
0 6 0 1064.74 1464.45 166.84 o
1 6 0 3.00 17.40 47.42 o
2 6 0 4868.70 4777.45 127.50 o
3 6 0 204.28 262.22 42.01 o
4 6 0 6789.23 6237.21 219.24 o
5 6 0 3324.73 3456.67 108.19 o
6 6 0 527.26 530.37 55.93 o
7 6 0 3573.84 3500.56 137.72 o
8 6 0 71.99 192.51 75.82 o
9 6 0 65.25 117.53 84.74 o
1 7 0 2433.70 2666.72 165.98 o
2 7 0 6351.32 6237.48 163.16 o
3 7 0 251.65 343.24 54.37 o
4 7 0 457.00 526.33 73.47 o
5 7 0 775.72 756.38 75.08 o
6 7 0 1765.03 1915.03 119.06 o
7 7 0 389.57 327.99 68.05 o
0 8 0 3778.46 4038.16 242.95 o
1 8 0 1756.93 1805.22 137.81 o
2 8 0 398.76 472.41 82.80 o
3 8 0 1947.96 1656.48 133.21 o
-13 1 1 2900.07 3177.82 177.92 o
-12 1 1 97.33 126.80 58.47 o
-11 1 1 10543.81 10530.14 228.81 o
-10 1 1 4620.01 4899.93 136.85 o
-9 1 1 207.45 242.44 40.11 o
-8 1 1 292.72 293.36 37.78 o
-7 1 1 1487.07 1692.07 83.59 o
-6 1 1 1018.11 985.78 69.73 o
-5 1 1 18790.82 18387.13 205.19 o
-4 1 1 4965.15 4917.68 72.20 o
-3 1 1 18951.34 18494.40 243.19 o
-2 1 1 63212.47 63883.82 619.42 o
-1 1 1 3207.88 3367.71 47.67 o
0 1 1 6612.30 7010.32 88.45 o
1 1 1 5341.31 5530.40 62.07 o
2 1 1 1672.87 1650.83 30.74 o
3 1 1 6.66 47.71 23.27 o
4 1 1 8644.47 8770.23 122.99 o
5 1 1 6813.05 6846.65 112.30 o
6 1 1 24733.74 24043.14 317.32 o
7 1 1 6430.31 6304.72 133.88 o
8 1 1 5648.12 5580.57 136.01 o
9 1 1 10584.22 10617.83 200.97 o
10 1 1 1993.89 1975.60 131.48 o
11 1 1 293.50 342.44 63.77 o
12 1 1 5.90 110.05 59.77 o
13 1 1 129.42 164.30 71.11 o
-12 2 1 3.98 -65.42 65.42 o
-11 2 1 1595.61 1765.40 121.23 o
-10 2 1 8075.73 7561.39 310.49 o
-9 2 1 3313.05 3148.06 116.55 o
-8 2 1 35355.57 34276.36 492.94 o
-7 2 1 17368.79 17065.09 236.46 o
-6 2 1 8270.03 8223.58 147.09 o
-5 2 1 31429.75 31148.21 348.07 o
-4 2 1 4597.26 4538.91 81.01 o
-3 2 1 17.10 27.73 11.84 o
-2 2 1 1814.47 1835.81 42.61 o
-1 2 1 47.71 61.80 12.91 o
0 2 1 54864.80 55871.49 549.65 o
1 2 1 74351.99 73403.70 784.00 o
2 2 1 2281.24 2141.33 55.80 o
3 2 1 70613.04 69240.26 687.91 o
4 2 1 28265.59 27728.52 307.25 o
5 2 1 5738.55 5752.14 134.49 o
6 2 1 7521.81 7524.74 131.75 o
7 2 1 2.53 42.40 31.12 o
8 2 1 503.30 585.14 51.53 o
9 2 1 8996.18 8779.21 242.26 o
10 2 1 1185.89 1281.23 98.96 o
11 2 1 8682.55 8474.87 227.95 o
12 2 1 11105.59 10731.22 287.17 o
-12 3 1 140.08 7.06 74.36 o
-11 3 1 5440.83 5365.90 226.26 o
-10 3 1 3985.88 4548.11 217.64 o
-9 3 1 1917.98 1954.84 128.37 o
-8 3 1 1798.63 1795.00 93.69 o
-7 3 1 1639.18 1574.70 70.05 o
-6 3 1 273.32 311.55 32.50 o
-5 3 1 15007.54 14561.05 199.22 o
-4 3 1 5629.18 5407.65 111.81 o
-3 3 1 18185.98 18697.28 227.32 o
-2 3 1 37848.93 38742.16 411.97 o
-1 3 1 841.73 1033.62 45.57 o
0 3 1 6494.50 5819.62 90.16 o
1 3 1 2509.24 2559.22 54.20 o
2 3 1 4878.51 4771.61 83.00 o
3 3 1 2933.41 2926.08 65.61 o
4 3 1 23556.68 23635.10 280.69 o
5 3 1 1104.30 1271.70 55.03 o
6 3 1 27426.68 26892.75 329.28 o
7 3 1 9416.37 9201.59 161.98 o
8 3 1 406.39 463.53 54.20 o
9 3 1 5717.54 6044.71 207.57 o
10 3 1 82.98 100.54 62.97 o
11 3 1 2007.94 2265.03 166.68 o
12 3 1 287.88 361.66 105.50 o
-11 4 1 9.25 321.73 299.63 o
-10 4 1 2612.54 2796.88 176.27 o
-9 4 1 99.89 177.77 67.25 o
-8 4 1 1453.21 1498.68 94.12 o
-7 4 1 656.70 730.41 62.93 o
-6 4 1 148.39 190.11 32.49 o
-5 4 1 196.06 338.13 34.93 o
-4 4 1 5465.85 5548.12 121.91 o
-3 4 1 3903.63 3744.91 84.20 o
-2 4 1 1493.19 1538.42 54.80 o
-1 4 1 7128.41 7033.15 130.30 o
0 4 1 48.93 60.33 15.46 o
1 4 1 1634.44 1518.59 54.10 o
2 4 1 109.29 173.39 26.07 o
3 4 1 2319.78 2423.58 66.78 o
4 4 1 324.62 406.26 35.01 o
5 4 1 2526.85 2335.36 73.20 o
6 4 1 1503.89 1656.02 72.92 o
7 4 1 11727.23 11236.63 196.23 o
8 4 1 1731.82 1826.81 109.46 o
9 4 1 69.09 147.88 90.18 o
10 4 1 1524.21 1604.03 135.14 o
11 4 1 15.09 471.77 95.26 o
-10 5 1 2220.50 2162.55 156.19 o
-9 5 1 829.53 955.81 104.21 o
-8 5 1 47.00 247.70 89.40 o
-7 5 1 3616.44 3772.64 115.76 o
-6 5 1 4895.84 4962.67 146.51 o
-5 5 1 4013.50 4032.76 105.37 o
-4 5 1 279.24 357.40 38.29 o
-3 5 1 5641.87 5450.86 149.02 o
-2 5 1 9334.84 9200.07 172.01 o
-1 5 1 2141.33 2299.00 78.18 o
0 5 1 1723.96 1826.71 74.31 o
1 5 1 12333.61 12208.03 200.45 o
2 5 1 9685.02 9448.59 173.72 o
3 5 1 1295.62 1467.22 76.58 o
4 5 1 430.53 498.54 42.86 o
5 5 1 4249.06 4154.75 107.63 o
6 5 1 8216.13 8221.15 190.70 o
7 5 1 814.13 956.22 71.19 o
8 5 1 828.48 834.34 135.22 o
9 5 1 2178.33 2482.14 183.86 o
10 5 1 2534.04 2631.20 177.52 o
-9 6 1 1009.43 1000.08 106.42 o
-8 6 1 7394.38 7249.19 256.34 o
-7 6 1 2023.75 2253.15 108.27 o
-6 6 1 1766.74 1803.33 103.18 o
-5 6 1 11898.62 11467.29 208.07 o
-4 6 1 757.15 748.37 66.24 o
-3 6 1 81.13 96.61 34.23 o
-2 6 1 58.60 46.08 68.41 o
-1 6 1 479.13 505.31 52.15 o
0 6 1 13365.40 13030.56 200.81 o
1 6 1 7385.90 7268.78 158.91 o
2 6 1 20.40 70.04 35.01 o
3 6 1 16048.28 16056.09 417.04 o
4 6 1 5735.25 5907.11 150.15 o
5 6 1 4.76 44.56 32.66 o
6 6 1 826.06 956.67 70.61 o
7 6 1 114.71 146.04 49.92 o
8 6 1 1326.10 1420.30 139.82 o
9 6 1 822.48 828.18 113.89 o
-7 7 1 879.62 875.12 80.82 o
-6 7 1 50.25 197.97 52.40 o
-5 7 1 1674.56 1767.91 110.76 o
-4 7 1 1636.64 1759.48 119.87 o
-3 7 1 2790.31 3117.25 128.62 o
-2 7 1 5233.16 5204.65 147.11 o
-1 7 1 66.10 87.52 45.04 o
0 7 1 3465.95 3735.97 148.67 o
1 7 1 8.76 8.43 42.01 o
2 7 1 4252.42 4284.03 136.77 o
3 7 1 1.63 21.96 36.96 o
4 7 1 1443.37 1546.20 101.63 o
5 7 1 559.72 621.12 78.81 o
6 7 1 3833.45 4038.83 187.44 o
7 7 1 261.83 199.16 63.02 o
-3 8 1 2716.68 2598.96 167.44 o
-2 8 1 925.51 975.13 104.55 o
-1 8 1 4550.31 4325.91 231.25 o
0 8 1 341.00 447.03 88.63 o
1 8 1 784.92 903.99 122.06 o
2 8 1 0.17 -33.00 50.78 o
3 8 1 520.45 506.42 85.74 o
-13 0 2 7999.77 7787.02 740.60 o
-12 0 2 1973.85 2110.83 170.51 o
-11 0 2 1181.24 1183.60 118.70 o
-10 0 2 70.73 32.83 85.57 o
-9 0 2 1.59 23.91 43.53 o
-8 0 2 11885.67 12143.41 353.81 o
-7 0 2 52954.36 52795.17 812.77 o
-6 0 2 5998.42 6123.56 150.65 o
-5 0 2 68880.41 68740.56 986.00 o
-4 0 2 53445.58 51396.03 846.36 o
-3 0 2 5619.62 5328.21 120.40 o
-2 0 2 18633.13 17536.73 532.85 o
-1 0 2 198.13 237.32 36.74 o
0 0 2 8.83 23.34 6.00 o
1 0 2 10050.68 9589.06 512.19 o
2 0 2 9086.50 8986.86 198.50 o
3 0 2 54246.20 53584.18 860.79 o
4 0 2 38952.08 37316.59 567.75 o
5 0 2 6116.51 6091.89 152.19 o
6 0 2 28628.67 27889.15 471.02 o
7 0 2 16159.71 16051.85 399.24 o
8 0 2 2957.10 2713.80 129.46 o
9 0 2 1212.92 1382.71 113.96 o
10 0 2 1350.92 1236.62 121.16 o
11 0 2 290.38 387.84 138.39 o
12 0 2 5432.26 5219.53 513.04 o
13 0 2 4898.18 4824.48 368.49 o
-13 1 2 2276.96 2624.79 159.97 o
-12 1 2 906.62 1049.52 104.77 o
-11 1 2 4262.21 4428.26 144.23 o
-10 1 2 10423.48 10416.97 202.73 o
-9 1 2 675.38 814.39 70.22 o
-8 1 2 12443.37 12189.56 195.83 o
-7 1 2 4386.31 4402.22 102.02 o
-6 1 2 3157.60 3055.12 84.70 o
-5 1 2 162.16 124.80 19.42 o
-4 1 2 3061.92 2671.85 54.05 o
-3 1 2 1283.54 1364.49 35.38 o
-2 1 2 23424.29 24093.03 340.42 o
-1 1 2 26914.51 28509.02 285.43 o
0 1 2 522.87 582.11 14.94 o
1 1 2 58055.85 58684.62 523.08 o
2 1 2 1101.00 1238.21 30.66 o
3 1 2 16812.96 16359.23 173.59 o
4 1 2 2625.83 2725.70 60.85 o
5 1 2 1111.90 1196.56 50.51 o
6 1 2 6117.01 6156.47 124.08 o
7 1 2 9162.59 8733.64 167.52 o
8 1 2 326.34 285.27 42.16 o
9 1 2 18086.77 17850.03 318.42 o
10 1 2 9445.59 9374.97 203.94 o
11 1 2 1163.98 1073.90 89.41 o
12 1 2 3124.03 3274.14 172.28 o
-12 2 2 107.89 673.76 115.06 o
-11 2 2 1454.01 1497.53 130.34 o
-10 2 2 0.48 279.67 99.79 o
-9 2 2 3003.86 2940.44 134.34 o
-8 2 2 9.24 73.40 42.15 o
-7 2 2 158.05 214.03 29.03 o
-6 2 2 538.48 563.04 38.54 o
-5 2 2 2190.42 2181.78 65.13 o
-4 2 2 1612.77 1630.78 64.89 o
-3 2 2 996.42 983.65 34.57 o
-2 2 2 510.63 677.94 32.11 o
-1 2 2 1638.85 1678.95 58.83 o
0 2 2 7095.40 7139.25 93.30 o
1 2 2 1929.17 1963.36 59.56 o
2 2 2 1651.03 1491.39 33.49 o
3 2 2 1364.90 1353.40 39.04 o
4 2 2 446.44 436.09 27.09 o
5 2 2 201.72 224.61 25.89 o
6 2 2 290.25 356.64 35.01 o
7 2 2 138.60 280.09 41.22 o
8 2 2 3657.85 3701.77 110.28 o
9 2 2 265.79 385.97 52.46 o
10 2 2 191.75 309.01 59.61 o
11 2 2 1518.51 1608.96 114.80 o
12 2 2 37.46 379.83 143.82 o
-12 3 2 56.51 128.93 76.50 o
-11 3 2 2796.10 2794.77 268.88 o
-10 3 2 11364.86 10925.57 299.14 o
-9 3 2 895.88 848.77 85.84 o
-8 3 2 1130.66 1086.50 74.63 o
-7 3 2 10911.47 11128.11 183.12 o
-6 3 2 1332.06 1318.10 59.98 o
-5 3 2 2983.22 3242.36 94.78 o
-4 3 2 15.88 6.42 15.09 o
-3 3 2 5621.01 5502.45 95.72 o
-2 3 2 26386.37 26104.05 292.97 o
-1 3 2 9946.69 9849.18 149.51 o
0 3 2 12970.29 13790.45 190.08 o
1 3 2 20260.62 19784.32 227.41 o
2 3 2 22546.92 22815.61 238.07 o
3 3 2 76.25 126.13 19.56 o
4 3 2 258.78 323.21 35.12 o
5 3 2 3589.41 3415.09 80.22 o
6 3 2 6110.47 6105.19 119.03 o
7 3 2 4587.22 4653.42 126.56 o
8 3 2 247.77 337.30 92.51 o
9 3 2 7324.21 7244.22 245.67 o
10 3 2 1417.26 1734.33 136.49 o
11 3 2 118.26 302.53 83.30 o
12 3 2 2550.70 2568.21 192.32 o
-11 4 2 849.45 820.24 110.21 o
-10 4 2 35.92 77.64 70.75 o
-9 4 2 76.26 26.34 48.77 o
-8 4 2 1632.30 1830.05 102.60 o
-7 4 2 13016.01 13264.92 216.04 o
-6 4 2 2299.69 2445.01 82.66 o
-5 4 2 34922.94 34513.14 406.00 o
-4 4 2 25311.57 25134.15 309.31 o
-3 4 2 360.04 460.85 41.00 o
-2 4 2 15448.19 15261.26 202.55 o
-1 4 2 8318.87 8763.75 150.86 o
0 4 2 133.90 121.69 23.92 o
1 4 2 8118.01 8134.18 126.66 o
2 4 2 3410.09 3419.78 86.10 o
3 4 2 20839.06 20605.08 258.32 o
4 4 2 29715.18 28813.21 344.12 o
5 4 2 316.43 369.58 39.95 o
6 4 2 15620.81 15438.35 235.90 o
7 4 2 12325.73 12122.98 231.62 o
8 4 2 249.56 232.04 49.70 o
9 4 2 510.71 577.10 80.91 o
10 4 2 404.87 447.64 87.36 o
11 4 2 1398.72 1508.91 151.63 o
-10 5 2 4821.77 5226.78 221.76 o
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-6 5 2 4270.22 4383.23 115.92 o
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-4 5 2 3863.38 3897.20 110.07 o
-3 5 2 325.88 350.52 37.88 o
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0 5 2 2488.24 2439.01 67.89 o
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5 5 2 3626.35 3550.53 100.09 o
6 5 2 310.30 468.21 49.92 o
7 5 2 5750.29 5823.73 172.81 o
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-5 6 2 21.34 77.80 37.94 o
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-2 6 2 1191.88 1354.27 92.10 o
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0 6 2 9752.34 9672.12 166.58 o
1 6 2 107.42 131.62 35.23 o
2 6 2 1450.33 1601.06 88.58 o
3 6 2 147.87 206.02 38.67 o
4 6 2 747.65 789.36 67.09 o
5 6 2 0.70 -10.88 31.49 o
6 6 2 1946.92 2101.06 103.79 o
7 6 2 754.17 996.14 86.69 o
8 6 2 5689.24 5697.27 185.86 o
-7 7 2 2161.02 2185.44 118.83 o
-6 7 2 6871.79 7046.44 279.56 o
-5 7 2 323.95 473.38 62.32 o
-4 7 2 646.31 683.20 69.95 o
-3 7 2 6681.27 6331.44 173.36 o
-2 7 2 3584.15 3573.58 121.29 o
-1 7 2 1.36 65.93 44.91 o
0 7 2 1348.09 1433.84 112.86 o
1 7 2 5703.75 5307.62 177.16 o
2 7 2 5200.40 5420.52 181.52 o
3 7 2 2190.14 2250.25 114.30 o
4 7 2 1497.42 1529.70 102.17 o
5 7 2 6010.48 5753.21 171.59 o
6 7 2 1500.60 1446.94 107.22 o
-3 8 2 4.87 92.63 55.64 o
-2 8 2 957.22 1046.42 109.03 o
-1 8 2 1420.26 1419.04 124.14 o
0 8 2 472.75 656.43 88.37 o
1 8 2 1155.32 1366.33 123.98 o
2 8 2 14.36 -5.01 56.36 o
3 8 2 2126.59 2252.84 157.46 o
-13 1 3 563.30 916.99 100.98 o
-12 1 3 13.42 225.58 65.31 o
-11 1 3 731.50 769.14 90.17 o
-10 1 3 4334.63 4494.39 125.72 o
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-7 1 3 20045.79 19412.92 234.37 o
-6 1 3 3128.47 3002.83 72.65 o
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