#------------------------------------------------------------------------------
#$Date: 2024-02-17 05:12:43 +0200 (Sat, 17 Feb 2024) $
#$Revision: 289862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/07/2300739.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_2300739
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.3380
_cell_length_b                   12.2710
_cell_length_c                   4.1691
_exptl_crystal_F_000             1092.00
_reflns_d_resolution_high        0.6619
_cod_data_source_file            nb5371NdGaH1.2sup5.hkl
_cod_data_source_block           NdGaH1.2
_shelx_title                     ' NdGaH1p2_0m_a.res in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            816.23
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, 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
2 0 0 735.08 467.19 70.64 o
4 0 0 974.09 1090.94 124.55 o
6 0 0 594001.88 630855.38 9203.30 o
8 0 0 6291.30 6221.33 250.83 o
10 0 0 84.88 216.48 129.75 o
12 0 0 193899.22 196845.83 2674.83 o
14 0 0 4556.85 5244.18 423.40 o
16 0 0 1342.13 1644.28 411.66 o
18 0 0 58042.36 60828.20 2113.43 o
1 1 0 0.04 59.79 28.40 o
3 1 0 4238.43 4739.56 129.38 o
5 1 0 15971.59 16425.18 237.56 o
7 1 0 5980.50 6028.57 136.85 o
9 1 0 9344.58 9336.79 189.92 o
11 1 0 24513.23 24349.76 438.92 o
13 1 0 3922.27 4162.56 224.70 o
15 1 0 13449.77 13567.36 396.07 o
17 1 0 14621.80 14364.63 717.05 o
0 2 0 1247.58 1197.26 78.07 o
2 2 0 273.31 496.18 84.00 o
4 2 0 9632.70 9487.87 163.10 o
6 2 0 1.43 156.16 81.51 o
8 2 0 3860.08 3741.79 157.28 o
10 2 0 8089.90 8186.62 254.46 o
12 2 0 2357.13 2359.79 224.29 o
14 2 0 4758.53 4764.80 241.60 o
16 2 0 2617.34 3000.05 351.43 o
18 2 0 3936.48 4121.52 660.12 o
1 3 0 169.25 702.11 208.73 o
3 3 0 483197.16 476218.41 4519.29 o
5 3 0 588.24 716.75 100.59 o
7 3 0 346.07 333.96 123.38 o
9 3 0 210436.56 217645.48 2436.00 o
11 3 0 549.53 745.79 176.70 o
13 3 0 1642.11 1870.04 272.02 o
15 3 0 77079.21 75332.59 1263.02 o
17 3 0 78.51 937.38 357.00 o
0 4 0 177192.52 168722.66 2510.40 o
2 4 0 6740.81 6683.99 150.98 o
4 4 0 969.24 1019.21 96.58 o
6 4 0 117632.86 115549.91 1327.44 o
8 4 0 9087.70 9225.63 316.43 o
10 4 0 39.50 187.67 196.16 o
12 4 0 57266.40 57793.91 875.70 o
14 4 0 6892.89 6778.63 386.63 o
16 4 0 420.19 684.04 360.17 o
1 5 0 12400.51 11789.62 232.38 o
3 5 0 12015.52 11592.71 209.21 o
5 5 0 15918.36 15414.86 299.04 o
7 5 0 4869.65 5094.53 216.60 o
9 5 0 4732.61 5183.45 287.27 o
11 5 0 11479.71 12509.28 411.42 o
13 5 0 2090.54 2091.59 279.03 o
15 5 0 1239.72 1613.26 364.39 o
17 5 0 6041.00 7186.43 899.88 o
0 6 0 66469.02 62206.95 973.56 o
2 6 0 408.91 368.20 97.54 o
4 6 0 7820.86 7615.63 184.47 o
6 6 0 54706.79 52679.11 707.90 o
8 6 0 2032.11 2246.31 236.38 o
10 6 0 9133.34 8995.07 410.30 o
12 6 0 39507.02 40276.35 752.18 o
14 6 0 3386.46 3924.60 406.13 o
16 6 0 5071.80 4913.10 822.11 o
1 7 0 5953.01 5576.88 204.17 o
3 7 0 338989.34 321057.22 3481.63 o
5 7 0 1039.58 932.90 117.10 o
7 7 0 4902.39 5085.48 273.31 o
9 7 0 163334.59 168892.67 2193.92 o
11 7 0 12.12 -73.80 326.78 o
13 7 0 546.18 1043.55 358.17 o
15 7 0 56402.25 57162.73 1350.42 o
0 8 0 20005.40 18882.39 539.00 o
2 8 0 30909.38 28701.09 461.59 o
4 8 0 7382.77 6863.50 354.25 o
6 8 0 9222.81 9307.12 370.12 o
8 8 0 48100.84 49278.09 899.90 o
10 8 0 1468.78 1528.91 316.96 o
12 8 0 530.39 508.36 338.58 o
14 8 0 36469.17 36856.78 1012.54 o
16 8 0 1003.78 2902.65 877.39 o
1 9 0 9428.87 8457.39 366.33 o
3 9 0 1994.46 2192.84 246.15 o
5 9 0 145.67 -117.36 177.86 o
7 9 0 16770.30 18116.58 611.16 o
9 9 0 6440.82 7592.34 422.12 o
11 9 0 1481.04 1150.64 355.51 o
13 9 0 9818.57 9737.41 813.59 o
15 9 0 9831.31 9402.02 826.55 o
0 10 0 226086.97 228015.17 5570.84 o
2 10 0 1850.21 1984.83 372.09 o
4 10 0 4167.99 4169.37 313.94 o
6 10 0 160544.00 164539.80 2590.19 o
8 10 0 59.16 97.68 337.48 o
10 10 0 1596.41 2393.84 426.63 o
12 10 0 68591.97 70702.82 2893.72 o
14 10 0 4.82 1413.23 531.19 o
1 11 0 18232.77 18892.47 806.06 o
3 11 0 1275.05 1540.20 435.81 o
5 11 0 33336.84 33328.88 1328.24 o
7 11 0 6206.91 5510.36 435.63 o
9 11 0 2622.85 2820.07 430.98 o
11 11 0 32949.75 36513.59 1468.97 o
13 11 0 2261.75 2204.10 647.37 o
15 11 0 3206.05 4269.00 3419.97 o
0 12 0 4083.56 4988.06 967.49 o
2 12 0 11002.76 10831.02 699.85 o
4 12 0 13252.94 13674.31 789.34 o
6 12 0 4337.51 5114.23 719.55 o
8 12 0 5776.35 4942.58 785.31 o
10 12 0 9124.40 8608.49 1075.82 o
12 12 0 4247.31 4660.63 918.23 o
14 12 0 2732.76 3324.04 1047.19 o
1 13 0 610.15 468.77 476.40 o
3 13 0 38854.95 39006.73 1215.72 o
5 13 0 1523.53 1271.03 644.09 o
7 13 0 27.43 -1007.41 1007.41 o
9 13 0 27152.71 26912.00 2645.23 o
11 13 0 1838.96 3115.25 2197.70 o
0 14 0 37462.86 38607.43 1773.54 o
2 14 0 15721.60 15750.01 886.06 o
4 14 0 13558.78 12409.11 962.45 o
6 14 0 28900.70 31202.34 1639.01 o
8 14 0 12332.51 14376.10 1421.68 o
10 14 0 7097.71 8419.31 2064.62 o
1 15 0 13220.25 11962.81 834.35 o
3 15 0 8753.50 7785.73 865.73 o
5 15 0 20262.85 19949.73 1463.46 o
7 15 0 6506.55 5219.74 1182.01 o
9 15 0 4275.15 4381.58 1515.35 o
0 16 0 844.19 1607.46 888.38 o
2 16 0 113.32 325.67 803.32 o
4 16 0 532.43 875.57 859.33 o
6 16 0 1456.59 1519.44 1062.97 o
1 17 0 10030.30 8188.50 1291.47 o
3 17 0 36954.17 39039.77 2396.49 o
5 17 0 6342.58 4388.38 1573.05 o
2 18 0 15154.93 20763.51 2436.82 o
1 1 1 225.02 305.51 51.08 o
3 1 1 350214.34 342334.06 2468.70 o
5 1 1 401.43 427.65 69.89 o
7 1 1 430.30 411.30 71.34 o
9 1 1 154886.23 150762.98 1153.35 o
11 1 1 302.45 261.26 123.74 o
13 1 1 1396.11 1486.70 149.94 o
15 1 1 57736.43 56921.36 730.63 o
17 1 1 32.12 -436.05 669.81 o
0 2 1 130968.31 126873.38 1382.68 o
2 2 1 3504.24 3493.12 83.72 o
4 2 1 2110.68 2311.41 81.30 o
6 2 1 97132.16 99263.96 786.68 o
8 2 1 16500.52 15951.93 218.60 o
10 2 1 5722.69 5472.58 163.93 o
12 2 1 63243.97 62790.16 681.46 o
14 2 1 15362.20 14641.70 406.12 o
16 2 1 3618.79 2915.70 304.67 o
18 2 1 35976.79 34491.15 2001.42 o
1 3 1 7060.83 6910.98 131.13 o
3 3 1 157496.33 160262.67 1349.64 o
5 3 1 0.10 -1.03 65.05 o
7 3 1 9599.68 9651.40 168.56 o
9 3 1 55563.31 55471.14 515.73 o
11 3 1 1767.57 1670.96 142.74 o
13 3 1 2744.12 2549.83 183.56 o
15 3 1 11696.84 12677.58 501.61 o
17 3 1 1040.92 -209.27 818.18 o
0 4 1 408962.06 408080.22 4328.15 o
2 4 1 8899.37 8471.70 161.21 o
4 4 1 518.12 601.54 75.20 o
6 4 1 245205.70 243305.02 1961.75 o
8 4 1 19119.75 18555.67 269.16 o
10 4 1 167.80 247.58 109.74 o
12 4 1 80949.36 80181.70 814.38 o
14 4 1 13699.28 12950.05 567.93 o
16 4 1 1391.61 1394.80 430.01 o
1 5 1 1.64 -65.15 65.15 o
3 5 1 57627.67 59961.76 577.89 o
5 5 1 13934.82 14047.03 208.35 o
7 5 1 6415.58 6465.63 178.98 o
9 5 1 52154.66 51822.99 544.39 o
11 5 1 24617.69 24232.38 410.86 o
13 5 1 5700.96 5831.85 322.81 o
15 5 1 41364.41 41013.20 861.04 o
0 6 1 198398.08 191775.98 2121.27 o
2 6 1 9114.85 9624.04 194.68 o
4 6 1 15976.82 15684.20 231.47 o
6 6 1 124411.30 124904.50 1171.08 o
8 6 1 1246.20 1229.71 144.86 o
10 6 1 7673.10 8072.78 252.99 o
12 6 1 41894.43 42348.78 609.63 o
14 6 1 217.80 713.74 354.65 o
16 6 1 1043.76 902.94 523.94 o
1 7 1 10368.92 9918.38 192.32 o
3 7 1 77988.71 77499.40 735.33 o
5 7 1 17863.56 17862.57 322.47 o
7 7 1 4192.90 4617.53 221.84 o
9 7 1 36487.70 37887.61 602.45 o
11 7 1 15665.46 15597.52 406.11 o
13 7 1 2850.32 2866.52 373.64 o
15 7 1 11907.68 10410.55 1036.81 o
0 8 1 112504.41 104814.92 1333.03 o
2 8 1 74.38 129.18 105.11 o
4 8 1 991.88 980.12 140.71 o
6 8 1 90061.04 89229.70 974.23 o
8 8 1 1661.07 1756.27 233.36 o
10 8 1 2325.81 2343.47 298.19 o
12 8 1 53964.04 55381.71 926.36 o
14 8 1 2177.72 1819.61 444.14 o
1 9 1 13242.76 12627.25 338.95 o
3 9 1 44850.91 44032.61 552.69 o
5 9 1 19530.29 19198.14 385.94 o
7 9 1 4688.92 4754.24 283.65 o
9 9 1 30220.99 31923.39 614.93 o
11 9 1 17089.81 16973.95 520.74 o
13 9 1 950.81 674.29 336.94 o
15 9 1 15958.25 14019.75 1904.16 o
0 10 1 3238.59 3978.27 401.36 o
2 10 1 15234.63 14272.05 439.97 o
4 10 1 18726.37 18534.67 472.84 o
6 10 1 1459.29 1264.90 219.23 o
8 10 1 7294.79 7005.40 341.07 o
10 10 1 12088.48 11867.46 587.89 o
12 10 1 36.12 -197.09 401.11 o
14 10 1 3221.59 2972.68 454.58 o
1 11 1 991.23 863.23 289.73 o
3 11 1 127471.88 122853.68 1630.38 o
5 11 1 3476.11 3593.59 389.66 o
7 11 1 291.81 -15.45 327.31 o
9 11 1 71368.23 70963.12 1184.04 o
11 11 1 4295.55 4331.74 486.94 o
13 11 1 651.87 1585.04 437.81 o
0 12 1 5953.16 6158.60 602.80 o
2 12 1 15843.65 15563.72 590.86 o
4 12 1 3329.34 2982.86 431.61 o
6 12 1 7728.56 8615.90 632.01 o
8 12 1 28489.73 30143.24 1536.15 o
10 12 1 292.56 157.95 499.30 o
12 12 1 9878.28 8530.13 897.59 o
1 13 1 20853.55 21237.07 704.59 o
3 13 1 26726.04 26557.92 835.43 o
5 13 1 10802.33 10643.21 679.39 o
7 13 1 19810.59 19013.66 912.51 o
9 13 1 11215.57 11075.32 823.75 o
11 13 1 3988.32 3269.42 1032.92 o
0 14 1 54556.01 56434.73 1688.78 o
2 14 1 4855.82 4636.86 523.43 o
4 14 1 1465.09 1885.41 497.11 o
6 14 1 39852.49 39500.91 1226.50 o
8 14 1 8572.60 9141.49 989.02 o
10 14 1 748.85 1492.06 877.17 o
1 15 1 3892.68 3552.26 539.94 o
3 15 1 7769.53 7802.43 639.11 o
5 15 1 10180.57 11086.41 778.13 o
7 15 1 686.36 36.87 648.64 o
9 15 1 8306.55 9562.21 1628.77 o
0 16 1 11334.84 9815.67 917.11 o
2 16 1 16818.28 16995.38 831.18 o
4 16 1 15388.51 14783.33 914.18 o
6 16 1 8379.58 9993.61 1153.33 o
1 17 1 4662.26 4572.34 742.00 o
3 17 1 1782.99 2542.85 885.04 o
5 17 1 5057.92 3391.88 1910.13 o
0 18 1 15111.20 12358.25 1910.13 o
2 18 1 1294.25 2331.48 1762.65 o
0 0 2 666229.69 679567.44 10528.11 o
2 0 2 428.92 366.36 104.11 o
4 0 2 630.96 719.89 131.65 o
6 0 2 424871.62 427236.72 4764.10 o
8 0 2 4521.58 4797.50 283.94 o
10 0 2 43.90 106.43 233.15 o
12 0 2 159873.27 157958.58 2281.71 o
14 0 2 3588.80 3345.66 405.01 o
16 0 2 1190.53 294.57 476.01 o
1 1 2 0.04 71.02 60.14 o
3 1 2 3000.72 3811.27 115.44 o
5 1 2 10980.76 11202.62 186.57 o
7 1 2 4361.02 4712.97 170.43 o
9 1 2 8056.41 8367.44 256.85 o
11 1 2 19288.14 18957.83 379.36 o
13 1 2 3216.79 3094.36 243.12 o
15 1 2 11759.60 11321.54 517.30 o
17 1 2 12448.19 13098.85 874.67 o
0 2 2 602.79 581.25 110.83 o
2 2 2 185.38 279.72 76.38 o
4 2 2 6540.26 6739.09 162.76 o
6 2 2 8.93 64.77 86.59 o
8 2 2 2779.64 2840.19 182.45 o
10 2 2 6393.85 6922.83 274.52 o
12 2 2 2134.32 2192.42 236.43 o
14 2 2 3825.40 3634.35 290.37 o
16 2 2 2250.30 1552.37 435.17 o
1 3 2 113.43 174.82 68.50 o
3 3 2 324831.31 321969.44 2553.39 o
5 3 2 413.29 336.10 91.35 o
7 3 2 286.64 239.31 145.38 o
9 3 2 167074.77 169224.86 1705.43 o
11 3 2 400.50 358.29 196.07 o
13 3 2 1429.15 1220.29 291.13 o
15 3 2 66219.62 64015.02 982.07 o
17 3 2 60.58 -807.59 807.59 o
0 4 2 118382.45 115827.88 1386.12 o
2 4 2 4566.27 4467.21 146.22 o
4 4 2 687.08 727.29 101.30 o
6 4 2 88636.03 88011.80 929.65 o
8 4 2 7123.40 7327.81 249.68 o
10 4 2 31.02 38.41 191.64 o
12 4 2 48230.12 46171.56 786.48 o
14 4 2 5857.14 5918.91 474.14 o
16 4 2 365.68 1038.96 640.71 o
1 5 2 8645.49 8647.24 171.44 o
3 5 2 8504.46 8811.90 204.24 o
5 5 2 11846.75 12187.46 371.79 o
7 5 2 3858.76 4116.65 226.21 o
9 5 2 3724.58 4103.39 249.11 o
11 5 2 9448.89 9847.74 399.76 o
13 5 2 1798.97 1317.87 357.64 o
15 5 2 1057.74 1205.85 348.23 o
0 6 2 48622.76 45888.18 669.42 o
2 6 2 314.04 240.34 112.28 o
4 6 2 5852.35 6223.68 204.82 o
6 6 2 43907.82 43939.34 629.65 o
8 6 2 1506.22 1571.28 217.58 o
10 6 2 7486.12 7847.77 353.11 o
12 6 2 33949.19 33904.25 734.78 o
14 6 2 2783.48 3020.19 646.09 o
1 7 2 4439.68 4762.01 176.78 o
3 7 2 254689.39 246131.61 2350.32 o
5 7 2 894.19 800.38 192.95 o
7 7 2 3816.27 4008.91 255.91 o
9 7 2 133158.09 133783.67 1447.53 o
11 7 2 27.10 209.33 310.45 o
13 7 2 444.17 488.58 366.53 o
15 7 2 48791.98 50084.15 2818.81 o
0 8 2 14320.85 14080.56 513.03 o
2 8 2 23806.34 22708.01 393.12 o
4 8 2 5974.49 6285.06 262.64 o
6 8 2 6734.79 7648.25 304.90 o
8 8 2 38876.39 39331.40 621.76 o
10 8 2 1311.98 1191.82 280.14 o
12 8 2 392.71 386.53 419.45 o
14 8 2 31086.01 32300.43 1871.51 o
1 9 2 7471.24 7527.22 345.12 o
3 9 2 2021.08 2165.30 226.90 o
5 9 2 159.64 163.17 230.11 o
7 9 2 13648.24 14319.98 597.13 o
9 9 2 5836.96 5935.16 354.28 o
11 9 2 1126.12 1088.13 497.50 o
13 9 2 8418.70 8095.57 1037.56 o
0 10 2 179458.09 178901.66 3212.85 o
2 10 2 1541.83 940.98 267.40 o
4 10 2 3325.96 2851.87 369.17 o
6 10 2 131166.89 134630.09 1760.95 o
8 10 2 74.31 52.93 342.64 o
10 10 2 1307.09 1268.83 368.43 o
12 10 2 58771.38 59903.38 1267.95 o
14 10 2 3.05 502.74 1152.48 o
1 11 2 15078.91 14735.07 604.53 o
3 11 2 1224.11 1663.22 373.94 o
5 11 2 27607.77 27669.90 811.03 o
7 11 2 5335.00 5789.86 596.84 o
9 11 2 2348.20 2127.31 497.40 o
11 11 2 28152.45 32700.65 1046.95 o
13 11 2 1997.45 2718.25 798.97 o
0 12 2 3551.23 2971.56 613.17 o
2 12 2 9242.60 9610.45 594.42 o
4 12 2 11109.53 10805.35 626.56 o
6 12 2 3777.76 3735.48 543.38 o
8 12 2 5008.47 4104.52 551.07 o
10 12 2 7857.15 7652.86 1388.76 o
12 12 2 3737.41 1024.54 1342.96 o
1 13 2 508.53 36.53 426.57 o
3 13 2 33032.27 32671.09 1033.43 o
5 13 2 1286.42 1155.81 648.57 o
7 13 2 22.61 -416.43 617.09 o
9 13 2 23549.82 23818.25 1419.01 o
11 13 2 1595.83 5533.05 1685.41 o
0 14 2 31485.46 32311.28 1346.85 o
2 14 2 13477.54 12871.91 747.43 o
4 14 2 11603.78 12230.23 782.88 o
6 14 2 24605.31 25281.23 1720.88 o
8 14 2 10782.02 10238.25 1169.26 o
1 15 2 11376.96 11513.92 725.44 o
3 15 2 7304.20 7720.87 699.20 o
5 15 2 17422.21 18121.69 1167.77 o
7 15 2 5702.23 8147.28 1368.59 o
0 16 2 823.79 1704.36 951.45 o
2 16 2 92.14 1977.41 718.37 o
4 16 2 457.59 1915.64 1087.89 o
1 17 2 8762.41 8475.70 1258.74 o
3 17 2 31866.34 21521.94 2886.26 o
1 1 3 114.06 133.53 100.19 o
3 1 3 177010.80 179186.03 1603.80 o
5 1 3 205.81 31.86 144.28 o
7 1 3 300.52 446.94 184.03 o
9 1 3 100852.16 102540.62 1171.29 o
11 1 3 162.09 -63.78 232.65 o
13 1 3 1057.97 323.28 310.42 o
15 1 3 43005.52 40532.59 989.09 o
0 2 3 65863.69 64788.97 873.56 o
2 2 3 1689.85 1818.48 138.92 o
4 2 3 1115.29 1253.57 158.58 o
6 2 3 60130.53 62252.21 744.66 o
8 2 3 9860.62 10599.78 333.79 o
10 2 3 3726.36 3786.89 294.58 o
12 2 3 46364.09 45736.86 789.37 o
14 2 3 10746.27 10439.59 743.02 o
1 3 3 3590.97 3940.16 157.33 o
3 3 3 81236.38 82684.43 848.60 o
5 3 3 4.99 69.83 153.10 o
7 3 3 5676.85 5869.17 267.41 o
9 3 3 34860.17 36958.98 623.29 o
11 3 3 933.95 1185.53 298.36 o
13 3 3 1889.46 1840.02 330.58 o
15 3 3 8532.65 8777.89 614.52 o
0 4 3 211308.25 211457.41 2589.88 o
2 4 3 4721.97 4976.15 196.99 o
4 4 3 352.95 358.67 151.78 o
6 4 3 144971.42 148669.19 1527.46 o
8 4 3 11546.24 11570.83 431.74 o
10 4 3 178.74 0.17 264.67 o
12 4 3 56670.70 56293.92 991.83 o
14 4 3 9497.04 8709.84 580.87 o
1 5 3 1.03 25.56 138.34 o
3 5 3 36247.87 36412.20 500.38 o
5 5 3 7957.13 9071.21 336.66 o
7 5 3 3892.11 4134.23 288.64 o
9 5 3 38194.78 38117.70 633.11 o
11 5 3 16313.12 16002.71 683.73 o
13 5 3 4061.40 4542.06 420.89 o
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