#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:49:14 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181917 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/16/2241632.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241632
_cell_angle_alpha                77.761
_cell_angle_beta                 72.307
_cell_angle_gamma                60.985
_cell_length_a                   8.5361
_cell_length_b                   8.6272
_cell_length_c                   8.8576
_exptl_crystal_F_000             324.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            wm5281Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' VETRI2_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            130.42
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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 0 0 102.37 111.65 1.38 o
2 0 0 11236.74 10899.40 85.67 o
3 0 0 1.79 10.30 0.37 o
4 0 0 835.44 843.01 7.75 o
5 0 0 2007.68 2010.98 16.81 o
6 0 0 11.23 13.27 0.57 o
7 0 0 257.76 263.38 3.95 o
8 0 0 0.03 -0.60 0.40 o
-8 1 0 45.21 45.58 1.85 o
-7 1 0 390.45 387.22 5.50 o
-6 1 0 9.51 16.03 2.20 o
-5 1 0 603.87 603.13 5.91 o
-4 1 0 986.01 1000.32 9.19 o
-3 1 0 95.39 109.73 1.08 o
-2 1 0 329.82 288.19 2.72 o
-1 1 0 27.74 38.49 0.50 o
0 1 0 0.30 0.44 0.39 o
1 1 0 69.47 74.77 2.12 o
2 1 0 176.03 170.82 1.64 o
3 1 0 2459.05 2633.79 21.66 o
4 1 0 224.89 236.97 2.13 o
5 1 0 938.16 976.04 8.76 o
6 1 0 122.52 129.56 1.72 o
7 1 0 17.19 18.60 0.65 o
8 1 0 312.72 314.71 5.54 o
9 1 0 55.90 58.50 2.04 o
-7 2 0 70.52 69.93 1.87 o
-6 2 0 9.03 6.69 0.90 o
-5 2 0 33.85 35.18 1.14 o
-4 2 0 350.37 342.64 4.06 o
-3 2 0 936.03 944.02 11.02 o
-2 2 0 1171.04 1098.88 10.28 o
-1 2 0 5571.26 5595.39 48.18 o
0 2 0 3156.58 3226.26 24.56 o
1 2 0 17009.87 15673.16 386.67 o
2 2 0 14.99 13.47 0.30 o
3 2 0 6202.48 6079.51 48.09 o
4 2 0 1104.27 1083.09 8.92 o
5 2 0 1536.02 1528.35 11.71 o
6 2 0 1342.18 1367.60 11.59 o
7 2 0 41.88 43.41 0.78 o
8 2 0 507.22 523.33 6.87 o
9 2 0 32.04 32.50 1.69 o
-6 3 0 294.77 302.44 4.67 o
-5 3 0 295.97 313.72 4.61 o
-4 3 0 414.74 390.15 4.30 o
-3 3 0 1029.23 991.82 10.82 o
-2 3 0 670.60 676.65 6.93 o
-1 3 0 872.18 800.03 5.96 o
0 3 0 177.17 203.50 1.69 o
1 3 0 45.54 34.88 0.45 o
2 3 0 18.00 12.07 0.24 o
3 3 0 675.31 766.90 6.16 o
4 3 0 0.19 0.43 0.28 o
5 3 0 63.67 63.55 0.74 o
6 3 0 62.25 69.04 1.07 o
7 3 0 38.71 37.62 0.79 o
8 3 0 165.37 167.84 2.78 o
9 3 0 89.94 89.45 1.96 o
-6 4 0 10.64 12.82 0.95 o
-5 4 0 8.71 7.59 0.76 o
-4 4 0 30.32 28.74 0.90 o
-3 4 0 6.47 6.11 0.53 o
-2 4 0 286.76 308.36 3.45 o
-1 4 0 808.91 845.09 7.76 o
0 4 0 806.69 807.24 8.02 o
1 4 0 69.62 89.42 0.91 o
2 4 0 228.36 188.29 1.80 o
3 4 0 83.57 107.50 1.12 o
4 4 0 4383.17 4495.38 38.82 o
5 4 0 860.64 891.24 10.22 o
6 4 0 795.91 792.71 9.48 o
7 4 0 192.66 203.07 2.32 o
8 4 0 87.10 88.45 1.56 o
9 4 0 514.01 514.44 6.79 o
-5 5 0 582.00 592.28 7.28 o
-4 5 0 355.57 357.62 4.73 o
-3 5 0 465.14 448.48 4.98 o
-2 5 0 326.27 324.69 3.76 o
-1 5 0 839.31 885.53 9.55 o
0 5 0 2076.88 1978.97 24.71 o
1 5 0 194.24 202.11 2.15 o
2 5 0 412.92 361.87 3.16 o
3 5 0 86.23 89.21 0.96 o
4 5 0 305.56 262.78 2.31 o
5 5 0 1339.54 1334.72 14.88 o
6 5 0 296.36 286.36 4.02 o
7 5 0 14.02 14.96 0.76 o
8 5 0 132.27 115.56 2.43 o
9 5 0 85.68 86.64 1.99 o
-4 6 0 0.08 -0.31 0.64 o
-3 6 0 1.33 1.52 0.37 o
-2 6 0 15.93 13.14 0.72 o
-1 6 0 119.10 117.99 1.93 o
0 6 0 17.82 22.10 0.69 o
1 6 0 412.20 385.77 3.81 o
2 6 0 29.93 25.54 0.61 o
3 6 0 423.19 420.36 3.56 o
4 6 0 265.30 257.42 2.59 o
5 6 0 1192.58 1266.51 9.88 o
6 6 0 53.12 53.55 1.36 o
7 6 0 206.21 207.60 3.07 o
8 6 0 226.14 230.78 3.41 o
9 6 0 169.01 159.52 2.83 o
-3 7 0 26.96 24.89 2.07 o
-2 7 0 295.41 293.32 3.96 o
-1 7 0 23.47 21.96 0.96 o
0 7 0 280.16 286.25 4.20 o
1 7 0 961.25 951.43 11.10 o
2 7 0 60.55 58.90 1.08 o
3 7 0 1232.66 1243.76 12.50 o
4 7 0 7.90 7.42 0.35 o
5 7 0 1185.69 1172.38 9.96 o
6 7 0 233.46 238.83 3.23 o
7 7 0 124.81 117.48 2.75 o
8 7 0 129.78 132.04 2.38 o
9 7 0 52.07 49.02 1.53 o
-1 8 0 1.16 0.14 0.53 o
0 8 0 28.46 25.12 1.27 o
1 8 0 0.05 0.65 0.98 o
2 8 0 54.85 59.03 1.44 o
3 8 0 43.99 43.67 1.67 o
4 8 0 160.86 165.68 2.38 o
5 8 0 150.89 155.63 2.03 o
6 8 0 221.67 233.21 3.23 o
7 8 0 2.50 1.60 0.46 o
8 8 0 404.70 415.45 5.31 o
1 9 0 130.58 136.15 2.69 o
2 9 0 38.32 39.61 1.37 o
3 9 0 49.38 53.02 1.69 o
4 9 0 461.69 463.96 6.21 o
5 9 0 5.15 4.40 0.76 o
6 9 0 399.03 388.48 5.33 o
7 9 0 37.76 42.11 1.79 o
4 10 0 1.87 2.27 0.65 o
-7 -9 1 16.87 13.95 1.26 o
-6 -9 1 23.55 23.49 1.03 o
-5 -9 1 52.54 50.63 1.51 o
-4 -9 1 0.02 0.71 0.44 o
-3 -9 1 4.97 7.05 2.27 o
-2 -9 1 210.08 219.32 4.15 o
-1 -9 1 21.89 25.13 1.38 o
-8 -8 1 90.68 78.61 2.16 o
-7 -8 1 53.21 49.50 2.17 o
-6 -8 1 228.07 229.70 3.55 o
-5 -8 1 150.40 147.74 2.58 o
-4 -8 1 13.57 17.17 1.14 o
-3 -8 1 507.04 506.19 6.45 o
-2 -8 1 12.92 12.41 0.93 o
-1 -8 1 508.43 511.49 6.64 o
0 -8 1 12.05 11.22 0.80 o
1 -8 1 141.19 140.64 2.76 o
-8 -7 1 256.27 270.39 4.50 o
-7 -7 1 84.39 86.92 2.07 o
-6 -7 1 4.21 5.09 0.93 o
-5 -7 1 44.96 43.70 0.88 o
-4 -7 1 1.43 1.77 0.28 o
-3 -7 1 154.97 149.05 2.10 o
-2 -7 1 96.37 108.29 1.75 o
-1 -7 1 5.63 6.35 1.30 o
0 -7 1 29.63 30.06 1.61 o
1 -7 1 5.52 5.78 0.59 o
2 -7 1 53.76 53.28 1.45 o
3 -7 1 4.16 2.20 0.61 o
-9 -6 1 107.75 108.06 3.02 o
-8 -6 1 20.95 21.22 1.12 o
-7 -6 1 234.82 215.83 3.60 o
-6 -6 1 64.55 65.26 1.02 o
-5 -6 1 403.91 401.33 4.11 o
-4 -6 1 571.24 523.75 4.73 o
-3 -6 1 42.51 40.84 0.85 o
-2 -6 1 1622.13 1591.31 20.35 o
-1 -6 1 24.69 21.57 0.72 o
0 -6 1 2236.32 2231.05 24.83 o
1 -6 1 64.48 59.49 1.30 o
2 -6 1 997.44 981.45 9.87 o
3 -6 1 72.51 70.36 1.45 o
4 -6 1 108.98 102.24 2.15 o
-9 -5 1 514.16 536.45 8.77 o
-8 -5 1 80.65 81.66 1.52 o
-7 -5 1 303.66 320.49 3.62 o
-6 -5 1 74.90 85.64 1.00 o
-5 -5 1 183.89 197.14 1.81 o
-4 -5 1 260.45 253.07 2.14 o
-3 -5 1 72.29 69.30 0.86 o
-2 -5 1 720.50 692.02 6.18 o
-1 -5 1 0.03 2.51 0.34 o
0 -5 1 287.43 284.99 2.94 o
1 -5 1 125.19 125.95 1.95 o
2 -5 1 270.98 272.39 3.27 o
3 -5 1 86.41 83.68 1.51 o
4 -5 1 27.20 29.80 1.25 o
5 -5 1 26.77 25.38 1.18 o
-9 -4 1 3.96 4.29 0.94 o
-8 -4 1 0.30 0.18 0.31 o
-7 -4 1 146.43 142.06 1.74 o
-6 -4 1 183.89 177.27 1.77 o
-5 -4 1 0.08 2.15 0.17 o
-4 -4 1 1.95 5.18 0.40 o
-3 -4 1 126.38 100.10 0.98 o
-2 -4 1 626.46 616.09 4.77 o
-1 -4 1 1756.29 1717.85 14.32 o
0 -4 1 108.01 110.75 1.50 o
1 -4 1 3923.71 3834.89 35.05 o
2 -4 1 7.39 6.00 0.44 o
3 -4 1 3195.48 3089.39 28.85 o
4 -4 1 12.06 13.71 0.61 o
5 -4 1 285.77 278.54 3.92 o
6 -4 1 133.25 131.08 2.76 o
-9 -3 1 78.78 73.99 2.05 o
-8 -3 1 280.22 290.33 4.92 o
-7 -3 1 320.76 318.03 3.54 o
-6 -3 1 472.21 491.01 4.86 o
-5 -3 1 1352.50 1390.62 10.85 o
-4 -3 1 1892.38 1984.94 15.21 o
-3 -3 1 1809.80 1708.43 12.81 o
-2 -3 1 331.73 344.76 2.70 o
-1 -3 1 354.65 276.38 2.64 o
0 -3 1 201.18 259.71 2.07 o
1 -3 1 63.08 52.25 0.97 o
2 -3 1 522.61 564.87 5.80 o
3 -3 1 716.94 729.15 7.28 o
4 -3 1 4.55 4.12 0.36 o
5 -3 1 6.18 6.06 0.61 o
6 -3 1 28.26 24.95 1.48 o
7 -3 1 0.44 0.12 0.44 o
-9 -2 1 4.82 3.65 0.75 o
-8 -2 1 43.05 44.90 1.57 o
-7 -2 1 240.34 234.91 3.38 o
-6 -2 1 1076.71 1120.58 9.67 o
-5 -2 1 498.90 552.72 4.61 o
-4 -2 1 1.58 3.55 0.20 o
-3 -2 1 3071.77 3577.55 24.46 o
-2 -2 1 325.86 284.54 2.34 o
-1 -2 1 2608.96 2636.15 18.52 o
0 -2 1 1909.55 1944.01 15.71 o
1 -2 1 1376.49 1410.31 11.32 o
2 -2 1 637.77 554.28 4.43 o
3 -2 1 285.48 304.34 3.00 o
4 -2 1 1691.86 1618.33 16.78 o
5 -2 1 397.99 412.69 5.36 o
6 -2 1 542.28 509.12 6.79 o
7 -2 1 310.17 313.86 4.79 o
-8 -1 1 0.98 0.79 0.51 o
-7 -1 1 936.83 934.12 11.27 o
-6 -1 1 309.40 329.44 3.68 o
-5 -1 1 2827.32 2832.44 24.20 o
-4 -1 1 2743.28 2836.85 23.26 o
-3 -1 1 2298.16 2203.40 14.60 o
-2 -1 1 7124.64 7092.62 54.69 o
-1 -1 1 1606.19 1659.88 12.76 o
0 -1 1 2410.89 2530.49 28.69 o
1 -1 1 0.34 1.73 0.14 o
2 -1 1 854.26 854.17 7.79 o
3 -1 1 1608.46 1705.08 16.22 o
4 -1 1 0.96 0.79 0.19 o
5 -1 1 116.67 126.61 2.89 o
6 -1 1 13.98 11.05 0.61 o
7 -1 1 4.54 6.18 0.65 o
8 -1 1 2.89 1.71 0.64 o
-8 0 1 94.57 99.41 3.13 o
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-1 0 1 12.96 9.71 0.16 o
0 0 1 43.81 51.30 2.08 o
1 0 1 775.74 897.84 6.69 o
2 0 1 1301.59 1435.01 12.02 o
3 0 1 276.09 221.66 2.39 o
4 0 1 43.48 49.86 0.69 o
5 0 1 842.72 816.11 7.64 o
6 0 1 510.14 545.20 5.43 o
7 0 1 1114.90 1130.23 11.74 o
8 0 1 174.85 176.82 3.09 o
-7 1 1 4.63 6.60 0.79 o
-6 1 1 1213.99 1182.10 14.13 o
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-4 1 1 3015.29 3042.93 27.72 o
-3 1 1 2648.09 2897.16 19.74 o
-2 1 1 4406.29 4336.29 30.12 o
-1 1 1 7252.77 7190.58 53.99 o
0 1 1 2835.68 2964.79 22.47 o
1 1 1 4480.23 4826.26 43.49 o
2 1 1 29.39 23.71 0.39 o
3 1 1 3317.22 3212.62 28.86 o
4 1 1 3.67 1.58 0.56 o
5 1 1 841.70 855.61 7.90 o
6 1 1 662.36 649.20 5.43 o
7 1 1 0.58 1.22 0.31 o
8 1 1 190.43 182.83 3.09 o
9 1 1 64.96 62.22 1.74 o
-7 2 1 64.23 71.59 1.93 o
-6 2 1 374.14 386.83 5.49 o
-5 2 1 141.49 138.91 2.48 o
-4 2 1 801.40 806.62 7.99 o
-3 2 1 10.67 8.35 0.49 o
-2 2 1 1852.80 2132.64 23.42 o
-1 2 1 1077.54 1411.53 9.94 o
0 2 1 109.28 102.99 0.85 o
1 2 1 1475.03 1481.75 11.62 o
2 2 1 388.91 395.18 13.72 o
3 2 1 751.30 819.21 17.32 o
4 2 1 3043.55 3180.82 27.43 o
5 2 1 188.28 187.48 2.18 o
6 2 1 653.69 698.15 6.57 o
7 2 1 192.77 201.05 2.16 o
8 2 1 687.44 685.26 8.58 o
9 2 1 88.80 87.21 1.99 o
-6 3 1 32.76 38.16 1.78 o
-5 3 1 237.89 210.62 2.95 o
-4 3 1 43.31 43.01 1.06 o
-3 3 1 852.96 888.92 8.78 o
-2 3 1 571.41 579.05 5.43 o
-1 3 1 4484.95 4578.79 41.97 o
0 3 1 804.12 749.28 6.19 o
1 3 1 570.97 530.58 3.84 o
2 3 1 635.72 517.24 4.40 o
3 3 1 13.01 20.37 1.12 o
4 3 1 1907.62 1731.89 25.00 o
5 3 1 7.71 5.65 0.52 o
6 3 1 1607.82 1571.96 12.04 o
7 3 1 382.42 395.97 4.44 o
8 3 1 173.94 168.44 2.76 o
9 3 1 137.47 140.34 2.58 o
-5 4 1 269.89 275.47 4.35 o
-4 4 1 117.97 114.50 1.83 o
-3 4 1 339.21 337.34 3.85 o
-2 4 1 1103.52 1082.53 9.71 o
-1 4 1 55.70 31.74 1.11 o
0 4 1 60.48 48.25 0.74 o
1 4 1 332.59 350.34 3.83 o
2 4 1 1.36 3.40 0.36 o
3 4 1 77.03 77.40 0.93 o
4 4 1 249.97 268.47 6.58 o
5 4 1 133.91 152.52 4.49 o
6 4 1 47.47 57.52 2.01 o
7 4 1 35.27 40.40 1.28 o
8 4 1 251.79 235.65 3.08 o
9 4 1 290.59 284.44 4.15 o
-5 5 1 2.01 5.13 0.75 o
-4 5 1 10.54 7.87 0.58 o
-3 5 1 0.68 1.05 0.44 o
-2 5 1 86.86 87.90 1.50 o
-1 5 1 5.23 5.39 0.62 o
0 5 1 427.83 422.70 5.29 o
1 5 1 482.12 508.59 4.95 o
2 5 1 293.96 263.23 2.95 o
3 5 1 227.01 201.07 1.78 o
4 5 1 163.59 153.77 1.39 o
5 5 1 235.17 214.56 3.44 o
6 5 1 223.84 236.50 3.86 o
7 5 1 660.13 671.64 8.38 o
8 5 1 312.80 305.82 4.57 o
9 5 1 382.01 381.15 5.64 o
-4 6 1 309.03 303.59 4.38 o
-3 6 1 62.28 64.27 1.41 o
-2 6 1 459.77 466.00 5.58 o
-1 6 1 729.10 757.77 7.08 o
0 6 1 946.77 947.19 9.80 o
1 6 1 816.43 837.98 7.94 o
2 6 1 58.60 74.18 1.15 o
3 6 1 242.73 236.62 2.29 o
4 6 1 23.76 24.67 0.72 o
5 6 1 585.59 581.61 6.08 o
6 6 1 43.01 39.53 1.06 o
7 6 1 41.28 42.64 1.30 o
8 6 1 12.08 15.99 0.89 o
9 6 1 0.41 1.67 0.52 o
-3 7 1 0.16 0.36 0.55 o
-2 7 1 0.09 0.27 0.38 o
-1 7 1 135.80 130.72 2.22 o
0 7 1 0.07 0.04 0.26 o
1 7 1 59.40 65.45 1.14 o
2 7 1 47.67 59.49 0.87 o
3 7 1 541.51 556.18 4.94 o
4 7 1 174.25 178.94 1.78 o
5 7 1 81.65 79.93 1.00 o
6 7 1 49.81 56.56 1.27 o
7 7 1 73.80 71.29 1.54 o
8 7 1 450.63 448.25 5.15 o
9 7 1 161.05 154.70 2.74 o
-1 8 1 397.23 411.72 5.86 o
0 8 1 100.34 99.75 2.16 o
1 8 1 330.09 349.18 4.95 o
2 8 1 637.23 618.24 6.91 o
3 8 1 4.76 5.54 0.45 o
4 8 1 720.64 697.35 6.64 o
5 8 1 69.76 68.49 1.33 o
6 8 1 678.34 668.92 6.59 o
7 8 1 1.10 1.06 0.40 o
8 8 1 59.31 57.78 1.51 o
9 8 1 23.86 25.35 1.10 o
1 9 1 1.51 0.64 0.43 o
2 9 1 35.26 35.23 1.27 o
3 9 1 67.98 68.92 2.08 o
4 9 1 89.17 89.98 1.76 o
5 9 1 107.61 110.04 1.84 o
6 9 1 1.10 1.25 0.39 o
7 9 1 211.16 211.40 3.50 o
8 9 1 72.18 71.73 1.93 o
3 10 1 281.14 273.67 5.17 o
4 10 1 22.33 21.47 1.15 o
5 10 1 272.27 269.41 4.28 o
6 10 1 3.57 4.39 0.54 o
-5 -9 2 130.40 124.94 2.54 o
-4 -9 2 73.35 72.66 1.92 o
-3 -9 2 181.55 196.43 3.98 o
-2 -9 2 40.37 41.47 1.74 o
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-6 -8 2 1.05 1.32 0.64 o
-5 -8 2 0.29 0.30 0.40 o
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0 -8 2 182.53 185.58 3.72 o
1 -8 2 7.65 6.43 0.72 o
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0 -7 2 245.74 249.95 3.77 o
1 -7 2 0.49 0.06 0.40 o
2 -7 2 33.19 32.69 1.23 o
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-6 -6 2 87.91 93.43 2.08 o
-5 -6 2 39.44 41.52 0.90 o
-4 -6 2 48.73 53.46 0.84 o
-3 -6 2 17.44 16.13 0.58 o
-2 -6 2 84.62 87.49 1.49 o
-1 -6 2 43.08 40.29 1.15 o
0 -6 2 2.03 2.10 0.41 o
1 -6 2 224.54 214.69 3.48 o
2 -6 2 0.12 -0.19 0.32 o
3 -6 2 39.15 35.73 1.04 o
4 -6 2 0.01 -0.72 0.48 o
-8 -5 2 106.24 99.19 2.41 o
-7 -5 2 15.37 12.33 0.64 o
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-4 -5 2 3948.13 4029.02 31.29 o
-3 -5 2 1821.84 1843.13 15.70 o
-2 -5 2 1884.46 1934.71 17.72 o
-1 -5 2 1230.26 1188.46 12.00 o
0 -5 2 914.11 886.97 9.51 o
1 -5 2 1990.69 1953.84 18.31 o
2 -5 2 0.24 0.73 0.31 o
3 -5 2 288.76 289.29 3.52 o
4 -5 2 46.19 47.61 1.37 o
5 -5 2 218.10 211.86 3.37 o
-8 -4 2 437.04 439.47 6.00 o
-7 -4 2 5.79 7.93 0.52 o
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-2 -4 2 15.77 20.41 0.45 o
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0 -4 2 11.29 6.97 0.35 o
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2 -4 2 24.79 21.72 0.78 o
3 -4 2 7.84 6.71 0.56 o
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