#------------------------------------------------------------------------------
#$Date: 2021-07-07 07:44:27 +0300 (Wed, 07 Jul 2021) $
#$Revision: 267320 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108834.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_2108834
_cell_angle_alpha                90.000
_cell_angle_beta                 109.233
_cell_angle_gamma                90.000
_cell_length_a                   7.6384
_cell_length_b                   14.4621
_cell_length_c                   10.7490
_exptl_crystal_F_000             644.00
_reflns_d_resolution_high        0.8380
_cod_data_source_file            um5049CaDgalIsup3.hkl
_cod_data_source_block           CaDgalI_new
_shelx_title                     ' cagali_a.res in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            222.85
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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 -17 0 401.99 305.98 27.90 o
0 -16 0 1052.63 1038.24 69.57 o
1 -16 0 542.32 492.38 25.10 o
2 -16 0 428.30 356.90 20.06 o
3 -16 0 52.73 56.50 13.97 o
1 -15 0 256.16 230.51 19.85 o
2 -15 0 408.66 333.49 22.22 o
3 -15 0 1018.84 895.06 44.37 o
4 -15 0 86.90 59.66 9.88 o
1 -14 0 442.66 421.75 48.36 o
2 -14 0 869.55 750.58 29.03 o
3 -14 0 176.38 154.16 15.02 o
4 -14 0 387.38 332.98 16.94 o
5 -14 0 15.67 23.93 8.82 o
1 -13 0 1219.50 1172.06 58.83 o
2 -13 0 1723.69 1610.13 67.29 o
3 -13 0 1245.18 1150.74 68.82 o
4 -13 0 388.97 399.96 23.94 o
5 -13 0 19.60 12.99 6.22 o
1 -12 0 257.19 264.89 21.33 o
2 -12 0 667.10 665.15 30.01 o
3 -12 0 15.60 12.77 7.13 o
4 -12 0 244.40 219.53 17.17 o
5 -12 0 1327.94 1217.45 40.72 o
6 -12 0 509.14 427.82 19.93 o
1 -11 0 2391.55 2615.49 88.46 o
2 -11 0 690.17 741.80 34.90 o
3 -11 0 352.07 392.56 25.85 o
4 -11 0 1726.52 1689.29 82.10 o
5 -11 0 1014.88 988.45 35.57 o
6 -11 0 459.03 393.85 25.10 o
0 -10 0 5132.08 5077.44 124.13 o
1 -10 0 1349.25 1417.43 44.15 o
2 -10 0 543.59 538.65 29.32 o
3 -10 0 1539.51 1525.59 70.35 o
4 -10 0 1954.17 1879.57 108.50 o
5 -10 0 451.65 417.76 24.44 o
6 -10 0 492.54 457.07 29.88 o
1 -9 0 576.38 599.91 26.89 o
2 -9 0 3895.11 3869.81 104.24 o
3 -9 0 4217.54 4158.35 110.95 o
4 -9 0 176.78 203.01 42.10 o
5 -9 0 88.35 102.44 17.71 o
6 -9 0 199.64 172.40 20.58 o
7 -9 0 268.90 193.08 16.97 o
0 -8 0 3171.09 3367.21 89.83 o
1 -8 0 6895.63 7026.35 135.15 o
2 -8 0 6611.26 6526.62 138.42 o
3 -8 0 469.68 465.90 39.84 o
4 -8 0 1253.20 1147.95 94.76 o
5 -8 0 809.46 809.22 61.84 o
6 -8 0 11.50 32.55 16.70 o
7 -8 0 756.81 652.76 46.95 o
2 -7 0 3999.09 3629.72 137.07 o
3 -7 0 4708.12 4764.18 148.28 o
4 -7 0 2118.03 2164.58 131.61 o
5 -7 0 943.75 961.08 65.93 o
6 -7 0 874.55 701.00 71.60 o
7 -7 0 436.01 389.78 33.90 o
2 -6 0 963.82 878.45 103.75 o
4 -6 0 247.59 253.45 28.22 o
5 -6 0 3703.63 4199.62 195.50 o
6 -6 0 2713.48 2769.82 219.97 o
7 -6 0 253.73 223.79 41.00 o
2 -5 0 1539.78 1548.28 116.27 o
4 -5 0 5386.09 5638.57 104.80 o
5 -5 0 2082.44 2342.80 95.17 o
6 -5 0 796.96 933.53 59.83 o
7 -5 0 357.85 366.22 75.70 o
2 -4 0 4823.60 5063.42 209.40 o
4 -4 0 3588.68 3716.64 75.82 o
5 -4 0 1409.00 1501.62 55.31 o
6 -4 0 1682.02 1897.30 71.54 o
7 -4 0 1570.63 1663.47 78.58 o
2 -3 0 12637.35 12120.29 386.48 o
3 -3 0 11390.18 10456.61 368.43 o
4 -3 0 145.82 180.18 14.33 o
5 -3 0 150.60 173.01 16.08 o
6 -3 0 1056.84 1089.38 45.91 o
7 -3 0 4.31 8.58 28.35 o
8 -3 0 1084.67 1073.76 77.25 o
2 -2 0 22789.10 22178.04 668.18 o
3 -2 0 1923.93 1771.93 104.21 o
4 -2 0 7248.07 7318.50 544.10 o
5 -2 0 3651.40 3684.00 72.79 o
6 -2 0 805.58 797.52 38.69 o
7 -2 0 1499.12 1612.16 65.42 o
8 -2 0 56.67 35.71 23.12 o
1 -1 0 4455.56 4015.32 128.75 o
2 -1 0 8306.68 8083.83 272.65 o
3 -1 0 1714.37 1687.99 101.13 o
4 -1 0 1471.72 1531.86 83.14 o
5 -1 0 2398.40 2518.09 70.05 o
6 -1 0 439.50 425.99 32.90 o
7 -1 0 816.28 928.61 43.05 o
8 -1 0 414.81 424.12 36.02 o
1 0 0 2293.85 2614.86 95.95 o
2 0 0 5463.48 5586.44 203.17 o
3 0 0 4817.75 5164.78 213.43 o
4 0 0 622.39 635.70 40.61 o
5 0 0 3746.31 3788.83 131.06 o
6 0 0 1441.49 1363.26 59.53 o
7 0 0 385.53 350.94 28.54 o
8 0 0 57.34 84.97 18.64 o
1 1 0 4684.73 4799.63 165.66 o
2 1 0 10777.13 10969.52 361.97 o
3 1 0 1334.28 1315.95 91.40 o
4 1 0 1433.02 1341.69 62.29 o
5 1 0 2201.87 2240.67 82.01 o
6 1 0 579.11 614.86 37.21 o
7 1 0 595.80 644.76 39.32 o
8 1 0 378.80 379.45 26.68 o
0 2 0 955.63 799.76 50.88 o
1 2 0 4622.75 4652.23 121.32 o
2 2 0 21825.06 21271.40 661.34 o
3 2 0 1814.46 1803.09 114.29 o
4 2 0 7892.00 7792.54 176.26 o
5 2 0 3781.61 3937.91 107.23 o
6 2 0 823.18 891.66 46.93 o
7 2 0 1714.96 1640.10 78.90 o
8 2 0 81.03 91.19 16.39 o
1 3 0 2658.54 2546.64 87.25 o
2 3 0 11528.06 11273.49 277.26 o
3 3 0 11826.30 11405.91 298.12 o
4 3 0 209.01 208.15 16.82 o
5 3 0 79.10 91.76 13.87 o
6 3 0 799.33 752.59 44.06 o
7 3 0 10.48 27.74 23.84 o
8 3 0 1131.32 1119.39 46.66 o
0 4 0 10409.23 9157.54 327.44 o
1 4 0 6239.45 5796.97 242.41 o
2 4 0 5510.92 5246.72 162.07 o
3 4 0 3069.93 2989.92 123.11 o
4 4 0 3874.94 4047.61 89.15 o
5 4 0 1278.68 1319.03 51.52 o
6 4 0 1925.51 1906.38 89.31 o
7 4 0 1466.00 1494.30 74.74 o
8 4 0 101.43 132.40 19.53 o
1 5 0 22025.54 19811.77 457.66 o
2 5 0 1152.86 1112.18 68.53 o
3 5 0 2023.95 1992.54 102.94 o
4 5 0 5588.79 5533.70 127.48 o
5 5 0 1829.75 1952.15 81.28 o
6 5 0 729.45 807.52 55.67 o
7 5 0 228.19 233.33 29.72 o
8 5 0 209.16 227.29 23.59 o
0 6 0 16701.10 15229.95 526.60 o
1 6 0 3657.94 3325.08 124.70 o
2 6 0 730.66 690.74 56.91 o
3 6 0 1207.30 1196.93 36.59 o
4 6 0 193.75 152.15 14.36 o
5 6 0 3957.06 4092.94 134.64 o
6 6 0 2440.30 2412.90 102.52 o
7 6 0 301.54 244.08 29.20 o
8 6 0 61.73 59.74 12.42 o
1 7 0 1649.12 1400.46 114.98 o
2 7 0 3411.91 3269.41 99.26 o
3 7 0 4434.30 4462.41 180.20 o
4 7 0 1928.43 1959.87 67.00 o
5 7 0 1078.06 1044.61 65.91 o
6 7 0 817.13 814.03 45.48 o
7 7 0 487.53 496.26 38.73 o
0 8 0 2500.90 2544.82 95.91 o
1 8 0 7827.56 7444.24 166.77 o
2 8 0 6579.50 6221.85 146.31 o
3 8 0 297.78 294.35 26.26 o
4 8 0 1322.78 1314.99 59.82 o
5 8 0 970.50 989.63 60.23 o
6 8 0 18.81 31.01 13.16 o
7 8 0 635.91 599.93 40.01 o
1 9 0 596.56 541.30 32.67 o
2 9 0 3575.25 3595.70 84.62 o
3 9 0 4838.58 4969.89 135.75 o
4 9 0 92.68 87.95 16.82 o
5 9 0 189.91 152.04 19.64 o
6 9 0 272.19 246.89 22.79 o
7 9 0 213.41 215.85 22.37 o
0 10 0 4375.41 4236.37 181.32 o
1 10 0 1396.36 1298.14 55.52 o
2 10 0 501.47 485.72 25.35 o
3 10 0 1811.28 1858.52 78.05 o
4 10 0 1804.89 1803.08 65.73 o
5 10 0 625.82 598.12 36.29 o
6 10 0 459.20 431.31 27.38 o
1 11 0 2345.25 2471.54 104.94 o
2 11 0 587.73 600.24 28.93 o
3 11 0 325.60 335.71 32.09 o
4 11 0 2155.74 2055.34 85.29 o
5 11 0 862.78 775.18 38.57 o
6 11 0 517.71 523.73 32.98 o
0 12 0 1991.01 2047.15 83.55 o
1 12 0 264.68 248.35 21.98 o
2 12 0 367.21 365.06 24.10 o
3 12 0 2.26 10.14 9.90 o
4 12 0 230.76 251.41 22.72 o
5 12 0 1282.25 1370.28 60.15 o
1 13 0 1336.24 1490.24 49.43 o
2 13 0 1790.36 1817.71 83.38 o
3 13 0 1239.99 1122.24 72.66 o
4 13 0 387.52 416.24 33.75 o
5 13 0 22.56 21.60 12.26 o
0 14 0 649.22 735.16 46.37 o
1 14 0 451.23 510.69 24.19 o
2 14 0 985.43 1028.22 44.70 o
3 14 0 152.00 145.80 34.45 o
4 14 0 358.53 417.99 42.57 o
1 15 0 316.45 341.30 20.08 o
2 15 0 330.76 350.16 22.84 o
3 15 0 1105.03 1133.07 71.67 o
0 16 0 895.27 1012.80 114.67 o
1 16 0 545.43 603.54 23.74 o
2 16 0 376.17 380.70 25.24 o
1 17 0 464.82 512.15 26.86 o
-1 -17 1 288.52 258.41 19.04 o
0 -17 1 24.88 24.24 7.44 o
-3 -16 1 454.95 394.48 34.68 o
-2 -16 1 367.21 286.52 17.95 o
-1 -16 1 243.09 235.91 21.95 o
0 -16 1 5.64 3.54 13.42 o
1 -16 1 284.70 241.56 17.32 o
2 -16 1 223.54 168.25 31.31 o
-4 -15 1 87.38 65.43 12.21 o
-3 -15 1 3.65 0.98 7.31 o
-2 -15 1 348.08 302.85 21.71 o
-1 -15 1 226.01 210.73 23.00 o
0 -15 1 1032.31 1031.11 77.15 o
1 -15 1 252.18 228.05 24.27 o
2 -15 1 460.32 386.60 20.25 o
3 -15 1 10.03 23.47 6.87 o
-5 -14 1 197.66 163.60 13.36 o
-4 -14 1 759.27 696.15 28.67 o
-3 -14 1 138.11 139.13 12.86 o
-2 -14 1 358.65 328.95 24.84 o
-1 -14 1 791.73 704.52 57.82 o
0 -14 1 19.67 22.49 21.74 o
1 -14 1 729.90 683.71 44.57 o
2 -14 1 103.11 93.42 10.82 o
3 -14 1 31.68 33.38 8.28 o
4 -14 1 465.64 413.41 20.90 o
-5 -13 1 209.89 161.77 14.20 o
-4 -13 1 664.81 644.62 30.98 o
-3 -13 1 336.63 291.12 19.13 o
-2 -13 1 375.63 353.83 21.25 o
-1 -13 1 822.75 803.86 81.84 o
1 -13 1 2076.92 2025.65 61.79 o
2 -13 1 528.92 553.04 28.95 o
3 -13 1 188.24 176.55 13.41 o
4 -13 1 625.46 596.16 22.60 o
5 -13 1 182.52 138.04 10.15 o
-6 -12 1 133.96 113.04 11.15 o
-5 -12 1 79.35 92.23 13.01 o
-4 -12 1 218.15 195.69 18.32 o
-3 -12 1 1766.43 1718.25 94.99 o
-2 -12 1 1613.79 1689.56 61.42 o
-1 -12 1 1960.92 1869.25 86.13 o
0 -12 1 243.98 197.41 19.82 o
1 -12 1 559.49 574.76 34.47 o
2 -12 1 1130.66 1215.50 40.49 o
3 -12 1 2071.35 2062.38 75.46 o
4 -12 1 110.74 91.14 12.07 o
5 -12 1 3.39 9.35 5.29 o
-6 -11 1 53.29 52.36 10.32 o
-5 -11 1 62.53 65.52 13.98 o
-4 -11 1 791.72 739.19 32.06 o
-3 -11 1 602.36 610.67 26.62 o
-2 -11 1 3187.69 3565.12 103.51 o
-1 -11 1 3514.43 3850.68 106.26 o
0 -11 1 1998.63 2255.49 149.40 o
1 -11 1 1186.98 1268.07 38.24 o
2 -11 1 2419.41 2519.51 63.22 o
3 -11 1 741.52 764.46 42.94 o
4 -11 1 1151.36 1151.74 62.08 o
5 -11 1 85.57 98.26 11.85 o
6 -11 1 14.94 9.73 5.94 o
-7 -10 1 135.49 113.64 22.45 o
-6 -10 1 436.23 412.75 26.20 o
-5 -10 1 123.26 130.77 19.52 o
-4 -10 1 1355.75 1444.74 51.73 o
-3 -10 1 2331.14 2379.57 67.80 o
-2 -10 1 1294.54 1359.60 47.01 o
-1 -10 1 3463.45 3711.58 101.51 o
0 -10 1 29.05 44.38 8.11 o
1 -10 1 2454.63 2600.92 57.62 o
2 -10 1 1799.95 1805.17 65.39 o
3 -10 1 3057.40 3076.35 96.23 o
4 -10 1 687.63 705.22 41.97 o
5 -10 1 353.41 364.04 25.13 o
6 -10 1 503.47 422.88 24.38 o
-7 -9 1 94.53 90.79 18.22 o
-6 -9 1 1278.34 1203.12 66.37 o
-5 -9 1 3816.61 3874.57 156.89 o
-4 -9 1 874.10 844.28 38.82 o
-3 -9 1 276.20 292.56 26.50 o
-2 -9 1 396.76 344.84 24.66 o
-1 -9 1 132.40 135.69 12.92 o
0 -9 1 9142.36 9066.38 115.71 o
1 -9 1 1626.87 1653.58 53.07 o
2 -9 1 830.88 786.73 40.30 o
3 -9 1 46.37 56.15 17.26 o
4 -9 1 785.57 776.03 56.39 o
5 -9 1 1993.30 1997.24 77.71 o
6 -9 1 779.80 656.96 35.64 o
7 -9 1 149.86 51.48 18.44 o
-7 -8 1 201.92 160.17 20.61 o
-6 -8 1 327.30 328.87 36.19 o
-5 -8 1 1332.35 1382.88 79.41 o
-4 -8 1 1885.02 1811.34 86.64 o
-3 -8 1 842.88 880.15 50.07 o
-2 -8 1 1445.11 1500.95 83.59 o
-1 -8 1 7071.44 7211.02 154.00 o
0 -8 1 954.57 982.79 33.35 o
1 -8 1 4987.37 4879.38 103.11 o
2 -8 1 3847.70 3805.81 124.46 o
3 -8 1 1877.81 1906.84 117.15 o
4 -8 1 2126.47 2195.51 93.69 o
5 -8 1 2269.01 2444.36 86.12 o
6 -8 1 333.93 283.86 40.99 o
7 -8 1 168.00 139.33 14.75 o
-7 -7 1 1360.78 946.72 114.53 o
-6 -7 1 1294.41 1127.26 95.77 o
-5 -7 1 1737.68 1770.86 90.92 o
-4 -7 1 3012.60 2853.57 112.14 o
-3 -7 1 2814.36 2712.53 140.35 o
-2 -7 1 3153.06 3030.53 123.09 o
2 -7 1 1155.32 1083.74 76.83 o
3 -7 1 1958.50 2011.72 91.11 o
4 -7 1 1198.15 1244.87 93.93 o
5 -7 1 2063.20 2329.84 126.63 o
6 -7 1 608.29 636.33 77.33 o
7 -7 1 585.29 493.74 39.76 o
-6 -6 1 430.17 388.63 58.20 o
-5 -6 1 4.13 11.85 14.89 o
-4 -6 1 324.17 445.82 40.97 o
-3 -6 1 10841.87 10991.99 348.33 o
-2 -6 1 6571.58 6756.13 347.51 o
3 -6 1 11309.48 11812.57 335.06 o
4 -6 1 143.15 180.86 26.98 o
5 -6 1 356.14 361.96 30.97 o
6 -6 1 604.59 595.63 74.71 o
7 -6 1 60.33 32.57 13.19 o
-6 -5 1 9.51 28.84 27.68 o
-5 -5 1 394.44 300.60 44.61 o
-4 -5 1 2501.02 2535.20 142.29 o
-3 -5 1 596.53 502.51 66.07 o
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2 -5 1 16315.74 15056.81 501.32 o
3 -5 1 5.34 17.11 6.83 o
4 -5 1 3770.39 3998.70 78.44 o
5 -5 1 458.13 491.53 28.65 o
6 -5 1 295.58 342.76 37.55 o
7 -5 1 935.81 917.43 71.97 o
-7 -4 1 611.50 612.77 68.09 o
-6 -4 1 1889.20 2071.59 88.67 o
-5 -4 1 522.86 552.03 38.92 o
-4 -4 1 5642.37 6040.51 230.64 o
-2 -4 1 3503.88 3688.26 184.57 o
2 -4 1 6968.73 5722.84 196.90 o
4 -4 1 1893.61 1906.33 47.69 o
5 -4 1 721.93 732.84 31.59 o
6 -4 1 920.82 973.54 45.00 o
7 -4 1 307.93 363.86 35.65 o
-7 -3 1 487.49 519.50 62.82 o
-6 -3 1 2522.29 2836.19 100.09 o
-5 -3 1 4089.00 4109.52 105.84 o
-4 -3 1 849.13 913.87 91.81 o
-3 -3 1 3029.57 3370.96 169.69 o
-2 -3 1 204.35 199.26 22.84 o
-1 -3 1 2887.82 3294.26 164.18 o
4 -3 1 1192.44 1238.43 39.58 o
5 -3 1 3055.30 3060.37 68.82 o
6 -3 1 1712.67 1728.32 56.23 o
7 -3 1 89.66 93.23 21.56 o
8 -3 1 42.05 70.94 20.76 o
-8 -2 1 600.78 655.34 61.17 o
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-6 -2 1 2918.45 3085.36 93.77 o
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-3 -2 1 5843.54 5876.17 245.32 o
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2 -2 1 2366.26 2237.26 91.78 o
3 -2 1 1791.91 1568.12 87.94 o
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5 -2 1 3181.33 3201.75 69.19 o
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7 -2 1 681.19 749.12 37.98 o
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-4 -1 1 7546.67 7180.37 285.11 o
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-1 -1 1 99.07 191.70 28.55 o
2 -1 1 7639.24 7327.98 266.71 o
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5 -1 1 2568.67 2643.92 91.96 o
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-1 0 1 1017.53 1013.90 43.23 o
0 0 1 556.71 469.24 19.59 o
1 0 1 714.65 720.99 46.01 o
2 0 1 8451.29 8719.80 306.25 o
3 0 1 49660.48 49782.42 1488.55 o
4 0 1 154.32 152.34 15.62 o
5 0 1 662.10 672.96 38.88 o
6 0 1 1845.96 1843.62 66.73 o
7 0 1 62.56 65.67 10.51 o
8 0 1 810.13 861.58 48.74 o
-8 1 1 181.86 190.48 20.23 o
-7 1 1 1577.75 1571.57 101.39 o
-6 1 1 2778.79 2869.04 117.66 o
-5 1 1 4534.26 4167.71 145.82 o
-4 1 1 6621.08 6620.77 279.35 o
-3 1 1 1330.78 1378.65 91.35 o
-2 1 1 12812.87 12993.52 415.43 o
-1 1 1 576.09 664.25 45.14 o
0 1 1 15.65 26.77 5.54 o
1 1 1 14830.20 14681.45 451.90 o
2 1 1 10936.19 11249.39 381.77 o
3 1 1 1020.72 1010.49 85.17 o
4 1 1 2967.59 2660.61 77.81 o
5 1 1 2631.88 2637.56 80.67 o
6 1 1 796.96 825.60 53.70 o
7 1 1 1639.05 1880.33 72.51 o
8 1 1 188.97 196.47 22.91 o
-8 2 1 668.70 685.93 43.60 o
-7 2 1 936.52 919.58 59.07 o
-6 2 1 2807.83 2801.29 93.30 o
-5 2 1 1513.66 1459.40 55.96 o
-4 2 1 11506.91 10619.20 330.48 o
-3 2 1 5144.87 5101.86 219.22 o
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-1 2 1 11164.24 10724.52 239.84 o
0 2 1 4887.73 4461.15 427.77 o
1 2 1 14887.01 13988.88 316.09 o
2 2 1 3499.94 3503.54 115.00 o
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