#------------------------------------------------------------------------------
#$Date: 2021-05-22 08:04:56 +0300 (Sat, 22 May 2021) $
#$Revision: 265452 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243837.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_2243837
_cell_angle_alpha                90.000
_cell_angle_beta                 95.646
_cell_angle_gamma                90.000
_cell_length_a                   8.3872
_cell_length_b                   12.1039
_cell_length_c                   18.1504
_exptl_crystal_F_000             1032.00
_reflns_d_resolution_high        0.7801
_cod_data_source_file            jq2003Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' shelxt_a.res in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            406.76
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
2 0 0 272.79 508.00 84.23 o
4 0 0 64403.50 57346.31 6584.58 o
6 0 0 9938.32 8988.22 775.41 o
8 0 0 14007.04 14706.99 893.69 o
10 0 0 545.90 438.97 289.66 o
1 1 0 412.74 364.71 20.73 o
3 1 0 6330.14 5947.73 240.70 o
5 1 0 1589.34 1793.92 170.65 o
7 1 0 721.47 855.08 127.70 o
9 1 0 3114.93 3238.41 272.94 o
0 2 0 74083.81 78167.67 2922.82 o
2 2 0 35248.99 36521.76 1228.16 o
4 2 0 15326.70 15820.56 493.17 o
6 2 0 1938.59 1773.99 144.65 o
8 2 0 1009.07 1062.83 225.18 o
10 2 0 11.75 -140.77 195.42 o
1 3 0 5184.22 5519.43 174.93 o
3 3 0 20755.67 21430.77 725.04 o
5 3 0 343.45 307.74 64.69 o
7 3 0 4845.27 4716.62 283.38 o
9 3 0 5785.77 5644.04 488.81 o
0 4 0 3481.80 4257.58 196.42 o
2 4 0 125280.37 132269.73 4053.52 o
4 4 0 9982.28 10689.42 339.56 o
6 4 0 20904.92 21046.54 658.57 o
8 4 0 207.45 352.90 145.95 o
10 4 0 147.69 416.84 207.81 o
1 5 0 2653.62 2643.51 95.33 o
3 5 0 19367.88 19843.10 616.02 o
5 5 0 15506.65 16107.02 507.20 o
7 5 0 374.17 469.50 81.05 o
9 5 0 435.05 606.09 181.30 o
0 6 0 2664.07 2413.77 143.84 o
2 6 0 42365.68 43709.87 1344.49 o
4 6 0 573.25 648.37 57.67 o
6 6 0 3114.90 3273.29 146.02 o
8 6 0 104.19 -116.51 116.51 o
1 7 0 14229.68 14555.97 396.55 o
3 7 0 9416.45 10056.78 323.10 o
5 7 0 30456.96 31876.04 989.10 o
7 7 0 1836.48 2056.98 149.00 o
9 7 0 1844.78 1706.68 205.17 o
0 8 0 34310.82 32944.28 1439.24 o
2 8 0 1019.27 1420.46 104.83 o
4 8 0 20241.83 21115.65 661.11 o
6 8 0 1571.84 1657.23 105.52 o
8 8 0 297.90 283.26 112.32 o
1 9 0 14252.26 14178.59 451.10 o
3 9 0 9542.23 10302.42 430.38 o
5 9 0 15516.97 15199.06 536.46 o
7 9 0 539.45 617.35 102.60 o
0 10 0 14940.29 14439.52 838.29 o
2 10 0 11847.50 11259.38 377.46 o
4 10 0 16967.68 17401.26 614.26 o
6 10 0 2719.15 2891.11 153.92 o
8 10 0 148.10 82.36 140.04 o
1 11 0 4998.62 4946.67 221.72 o
3 11 0 19806.27 19093.70 679.93 o
5 11 0 1512.97 1642.15 133.69 o
7 11 0 2404.55 2594.77 177.25 o
0 12 0 10941.73 10686.60 501.72 o
2 12 0 477.86 579.36 116.55 o
4 12 0 783.81 1094.78 122.01 o
6 12 0 590.59 864.41 136.72 o
1 13 0 6182.41 5758.54 260.37 o
3 13 0 10037.32 9232.76 357.65 o
5 13 0 54.19 80.43 137.35 o
0 14 0 25627.73 24655.74 1371.58 o
2 14 0 2175.00 2266.00 165.60 o
4 14 0 5541.51 5066.21 345.97 o
1 15 0 4167.27 3990.76 242.46 o
-9 1 1 8490.20 8826.00 571.44 o
-7 1 1 718.67 759.47 119.18 o
-5 1 1 21765.68 19385.83 795.49 o
-3 1 1 792.26 978.33 79.66 o
-1 1 1 35785.69 36443.28 1367.98 o
1 1 1 1936.51 2066.66 75.10 o
3 1 1 81104.34 77537.69 2920.91 o
5 1 1 725.35 627.41 88.19 o
7 1 1 68005.09 64889.41 2462.03 o
9 1 1 592.30 705.62 178.33 o
-10 2 1 2653.75 2821.15 314.66 o
-8 2 1 510.47 631.06 194.97 o
-6 2 1 10165.01 9690.07 408.31 o
-4 2 1 18989.29 19231.18 595.03 o
-2 2 1 51138.74 52603.21 1613.69 o
0 2 1 10551.92 10990.53 338.48 o
2 2 1 26662.59 27568.23 846.65 o
4 2 1 37013.57 37129.73 1145.04 o
6 2 1 20.75 96.17 97.55 o
8 2 1 2273.05 2247.18 239.67 o
10 2 1 6.36 67.19 264.25 o
-9 3 1 399.76 521.99 161.32 o
-7 3 1 10287.59 10216.55 443.64 o
-5 3 1 16752.14 17426.99 543.63 o
-3 3 1 5.49 67.19 29.37 o
-1 3 1 11541.80 12473.33 385.92 o
1 3 1 76913.16 79544.28 2667.19 o
3 3 1 685.00 909.49 48.64 o
5 3 1 28681.99 28612.00 888.15 o
7 3 1 2686.63 2249.61 209.95 o
9 3 1 13960.25 13535.74 602.60 o
-10 4 1 3166.65 3057.01 234.49 o
-8 4 1 861.78 814.45 139.04 o
-6 4 1 2588.77 2664.44 112.37 o
-4 4 1 5840.20 6039.77 198.72 o
-2 4 1 21339.45 23805.84 734.13 o
0 4 1 14131.23 14518.29 389.52 o
2 4 1 2866.80 2965.30 106.25 o
4 4 1 34253.46 34545.76 1065.83 o
6 4 1 150.71 155.54 69.99 o
8 4 1 486.00 511.59 147.53 o
10 4 1 1184.34 1032.24 210.31 o
-9 5 1 60.53 55.41 191.81 o
-7 5 1 20513.52 20921.86 658.08 o
-5 5 1 81.99 136.10 55.70 o
-3 5 1 1730.89 1843.81 80.93 o
-1 5 1 1103.66 1126.49 61.66 o
1 5 1 29624.21 31026.29 956.28 o
3 5 1 283.23 370.13 43.88 o
5 5 1 36632.75 37264.53 1150.77 o
7 5 1 562.94 586.55 125.89 o
9 5 1 14704.35 14485.83 715.16 o
-8 6 1 11747.99 12032.34 373.78 o
-6 6 1 2471.62 2578.55 118.98 o
-4 6 1 4680.63 4678.77 166.64 o
-2 6 1 22213.62 23363.93 723.55 o
0 6 1 6160.06 6080.74 186.74 o
2 6 1 50282.41 50989.11 1718.35 o
4 6 1 2761.35 2969.62 125.06 o
6 6 1 20234.12 21137.46 616.26 o
8 6 1 45.92 -80.20 105.95 o
-9 7 1 901.37 1113.13 167.35 o
-7 7 1 2354.91 2593.98 124.93 o
-5 7 1 958.28 1014.32 81.68 o
-3 7 1 224.48 332.25 46.84 o
-1 7 1 1445.07 1533.43 60.62 o
1 7 1 1494.38 1610.73 92.76 o
3 7 1 4969.31 4933.69 191.27 o
5 7 1 6949.90 6952.40 323.57 o
7 7 1 4785.15 4936.93 208.09 o
9 7 1 816.27 697.58 189.47 o
-8 8 1 13333.39 13224.46 630.07 o
-6 8 1 3988.17 4073.14 174.18 o
-4 8 1 4429.81 4769.71 178.79 o
-2 8 1 9837.15 9857.69 319.52 o
0 8 1 15430.43 14876.04 468.67 o
2 8 1 50264.54 51148.01 1575.39 o
4 8 1 8645.77 8915.00 357.88 o
6 8 1 14509.86 14964.37 486.75 o
8 8 1 873.36 743.92 127.63 o
-7 9 1 1175.88 1160.13 107.17 o
-5 9 1 1599.11 1666.33 104.25 o
-3 9 1 198.99 266.25 80.05 o
-1 9 1 129.89 199.34 66.11 o
1 9 1 860.60 906.79 77.05 o
3 9 1 27375.39 27492.17 944.03 o
5 9 1 2249.02 2032.65 121.78 o
7 9 1 8055.77 7895.94 311.17 o
-8 10 1 1302.01 1447.41 126.81 o
-6 10 1 5376.24 5449.19 226.33 o
-4 10 1 178.02 332.21 69.65 o
-2 10 1 3164.40 3265.27 130.86 o
0 10 1 4787.28 4627.25 202.05 o
2 10 1 2919.22 2785.08 150.20 o
4 10 1 27544.18 27826.67 876.81 o
6 10 1 2237.25 2229.00 194.74 o
8 10 1 4515.75 4673.80 213.81 o
-7 11 1 213.68 219.50 129.91 o
-5 11 1 122.59 132.83 108.39 o
-3 11 1 453.75 510.73 83.36 o
-1 11 1 821.39 910.88 75.34 o
1 11 1 938.49 852.96 102.90 o
3 11 1 2874.99 2943.62 171.45 o
5 11 1 360.71 510.30 114.30 o
7 11 1 297.53 353.81 170.45 o
-6 12 1 9458.39 10041.42 403.05 o
-4 12 1 5602.04 5234.81 209.45 o
-2 12 1 12866.84 11838.57 461.45 o
0 12 1 17843.08 17005.10 598.68 o
2 12 1 45.69 50.74 92.80 o
4 12 1 25237.06 24675.22 1030.47 o
6 12 1 963.97 1459.58 178.29 o
-5 13 1 1325.65 1439.60 163.59 o
-3 13 1 131.38 35.94 130.49 o
-1 13 1 5931.95 5482.43 307.49 o
1 13 1 133.18 35.48 108.54 o
3 13 1 2094.17 1941.23 165.04 o
5 13 1 2441.62 2256.95 207.30 o
-4 14 1 27.11 249.42 147.30 o
-2 14 1 41.65 80.26 129.77 o
0 14 1 2356.00 2429.97 190.06 o
2 14 1 2145.05 2051.83 220.37 o
4 14 1 3518.68 3157.62 250.91 o
-1 15 1 1229.84 1269.40 174.27 o
1 15 1 145.73 453.27 162.76 o
-10 0 2 3812.65 4080.00 384.42 o
-8 0 2 217.32 226.58 182.01 o
-6 0 2 102953.44 95397.76 8386.60 o
-4 0 2 4.53 97.70 72.70 o
-2 0 2 73591.75 68326.69 3626.42 o
2 0 2 63250.05 43236.39 3262.58 o
4 0 2 1533.40 1335.96 108.10 o
6 0 2 5654.44 5105.83 594.15 o
8 0 2 5740.38 6525.36 481.98 o
10 0 2 6621.46 7238.03 560.60 o
-9 1 2 2152.06 2591.74 205.20 o
-7 1 2 1899.49 2060.07 194.09 o
-5 1 2 2069.27 2041.84 124.15 o
-3 1 2 3325.89 3276.69 115.00 o
-1 1 2 4662.20 5040.70 171.08 o
1 1 2 294.32 371.89 43.73 o
3 1 2 4264.48 3762.41 171.30 o
5 1 2 8706.32 7968.49 302.70 o
7 1 2 1133.91 1456.65 155.29 o
9 1 2 818.53 942.42 192.03 o
-10 2 2 1572.02 1648.14 226.19 o
-8 2 2 3167.09 3053.09 200.49 o
-6 2 2 40287.45 39325.85 1494.15 o
-4 2 2 17727.28 17758.54 510.18 o
-2 2 2 39965.13 41148.67 1262.73 o
0 2 2 44.49 100.73 13.20 o
2 2 2 24341.17 24708.62 701.13 o
4 2 2 108.25 138.90 57.13 o
6 2 2 5234.50 4973.33 216.20 o
8 2 2 11259.99 10982.51 485.44 o
10 2 2 3216.67 2917.45 273.74 o
-9 3 2 9145.54 8834.58 418.89 o
-7 3 2 29.07 10.00 98.15 o
-5 3 2 3320.81 3521.20 120.14 o
-3 3 2 3853.86 3950.95 132.06 o
-1 3 2 2852.96 3140.15 104.07 o
1 3 2 37420.82 38220.40 1188.09 o
3 3 2 12936.92 12448.97 389.76 o
5 3 2 11769.68 11277.56 366.66 o
7 3 2 8258.64 8201.19 336.08 o
9 3 2 3370.63 3187.81 236.46 o
-10 4 2 1524.98 1744.16 245.55 o
-8 4 2 28921.01 27673.44 1072.33 o
-6 4 2 903.22 967.54 63.77 o
-4 4 2 106679.77 110238.27 3376.65 o
-2 4 2 4345.34 4490.77 148.02 o
0 4 2 84456.35 90433.22 2772.20 o
2 4 2 879.18 826.96 46.65 o
4 4 2 3600.33 3659.83 131.88 o
6 4 2 9923.40 9607.55 365.72 o
8 4 2 6411.85 5986.05 312.38 o
10 4 2 119.96 93.50 213.08 o
-9 5 2 3842.94 4021.12 330.89 o
-7 5 2 3090.71 3213.39 137.34 o
-5 5 2 1777.39 1890.86 87.45 o
-3 5 2 15143.50 16581.22 516.03 o
-1 5 2 19444.92 20663.21 591.10 o
1 5 2 1789.98 1954.28 101.31 o
3 5 2 3140.91 3465.46 196.65 o
5 5 2 1854.22 1857.83 99.55 o
7 5 2 4.76 57.91 100.19 o
9 5 2 2438.49 2472.90 222.92 o
-8 6 2 6922.99 7312.18 267.69 o
-6 6 2 233.55 225.08 67.38 o
-4 6 2 50587.14 52471.13 1613.77 o
-2 6 2 316.87 327.32 37.61 o
0 6 2 27229.30 28605.86 817.66 o
2 6 2 4158.00 4355.55 159.27 o
4 6 2 1253.90 1373.46 79.80 o
6 6 2 2604.80 2649.21 129.67 o
8 6 2 2134.38 2133.10 155.21 o
-9 7 2 285.44 605.86 178.37 o
-7 7 2 8074.83 7809.69 276.69 o
-5 7 2 2354.79 2443.98 112.17 o
-3 7 2 19136.93 19903.13 620.84 o
-1 7 2 43705.21 44949.98 1281.19 o
1 7 2 4585.19 4691.46 188.51 o
3 7 2 2487.87 2665.23 129.79 o
5 7 2 22656.97 22967.79 717.61 o
7 7 2 7575.45 7755.83 289.28 o
9 7 2 10826.00 10119.27 434.04 o
-8 8 2 1752.81 1704.37 103.82 o
-6 8 2 11500.63 11633.62 383.63 o
-4 8 2 4886.36 5068.18 186.19 o
-2 8 2 24453.36 25159.75 722.41 o
0 8 2 2891.85 3039.56 128.16 o
2 8 2 6135.13 6357.91 252.38 o
4 8 2 3037.44 2847.83 226.26 o
6 8 2 0.13 13.81 85.76 o
8 8 2 1258.41 1448.60 162.12 o
-7 9 2 7126.63 7507.13 283.65 o
-5 9 2 2894.16 2952.39 144.06 o
-3 9 2 15072.79 15646.59 541.78 o
-1 9 2 23064.77 21903.66 850.39 o
1 9 2 846.74 942.05 91.32 o
3 9 2 73.17 94.29 92.05 o
5 9 2 2903.01 3277.11 167.17 o
7 9 2 57.08 175.48 132.07 o
-8 10 2 1063.94 881.78 120.42 o
-6 10 2 3937.49 4103.53 183.14 o
-4 10 2 9566.14 9691.68 327.83 o
-2 10 2 19208.14 18894.97 521.36 o
0 10 2 4192.81 4518.52 224.95 o
2 10 2 4037.12 3890.33 189.88 o
4 10 2 5152.40 5474.91 228.22 o
6 10 2 1.36 -74.50 97.69 o
8 10 2 15.29 30.41 148.79 o
-7 11 2 1258.44 1286.77 129.82 o
-5 11 2 5820.33 5932.95 235.41 o
-3 11 2 11700.47 11893.40 344.99 o
-1 11 2 6659.65 6327.14 241.41 o
1 11 2 10809.90 11143.84 424.03 o
3 11 2 3926.15 4060.78 228.36 o
5 11 2 2753.74 2931.77 162.48 o
7 11 2 6276.58 6621.85 272.54 o
-6 12 2 3303.51 3457.70 188.75 o
-4 12 2 853.42 837.99 101.20 o
-2 12 2 910.58 1051.04 135.49 o
0 12 2 609.41 639.08 95.58 o
2 12 2 3908.88 3828.70 186.08 o
4 12 2 502.72 650.00 143.07 o
6 12 2 231.65 423.53 132.61 o
-5 13 2 7158.68 6681.20 378.89 o
-3 13 2 7858.62 7210.19 343.50 o
-1 13 2 1760.39 1641.29 120.74 o
1 13 2 7119.04 7011.88 303.22 o
3 13 2 5041.86 4759.79 217.57 o
5 13 2 696.79 876.66 164.41 o
-4 14 2 1676.90 1710.22 191.60 o
-2 14 2 6981.49 6722.78 302.29 o
0 14 2 7963.66 7270.02 348.29 o
2 14 2 7429.91 7400.81 387.16 o
4 14 2 213.03 45.66 180.99 o
-1 15 2 2867.83 2647.21 205.10 o
1 15 2 91.40 318.52 134.22 o
-9 1 3 64.08 66.69 149.99 o
-7 1 3 4813.18 4748.26 241.99 o
-5 1 3 8308.40 7926.33 335.02 o
-3 1 3 32059.27 34349.22 1154.91 o
-1 1 3 308.62 480.64 33.32 o
1 1 3 165454.69 144559.45 4851.64 o
3 1 3 6472.52 5863.55 220.79 o
5 1 3 38470.12 34580.13 1073.48 o
7 1 3 7018.74 6418.91 319.01 o
9 1 3 3707.33 4051.71 268.03 o
-10 2 3 4285.12 3915.02 316.34 o
-8 2 3 4344.66 4767.29 254.42 o
-6 2 3 24851.87 24812.13 950.42 o
-4 2 3 20971.79 21549.07 665.41 o
-2 2 3 98016.19 103942.95 2942.81 o
0 2 3 23983.22 24795.21 704.55 o
2 2 3 41873.25 42030.12 1661.82 o
4 2 3 3732.15 3732.12 179.32 o
6 2 3 6436.43 6060.21 255.54 o
8 2 3 594.24 700.71 170.15 o
10 2 3 247.02 47.73 493.07 o
-9 3 3 926.06 830.11 151.97 o
-7 3 3 606.22 680.66 137.86 o
-5 3 3 12247.58 12304.97 387.60 o
-3 3 3 4400.24 4394.48 145.76 o
-1 3 3 82560.59 87654.75 2483.16 o
1 3 3 40095.32 40030.79 1445.64 o
3 3 3 64025.86 62573.39 2104.91 o
5 3 3 148.29 100.78 76.13 o
7 3 3 4302.77 4027.31 208.69 o
9 3 3 127.62 383.23 194.99 o
-10 4 3 560.27 651.58 182.42 o
-8 4 3 2290.86 2390.37 224.49 o
-6 4 3 1753.83 1810.92 91.15 o
-4 4 3 1751.20 2149.54 100.25 o
-2 4 3 52115.52 55372.45 1859.81 o
0 4 3 2501.34 2594.35 105.29 o
2 4 3 2497.26 2461.93 124.24 o
4 4 3 3942.57 3715.76 153.24 o
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8 4 3 3298.38 2968.37 175.49 o
10 4 3 1254.42 1416.40 245.12 o
-9 5 3 1316.86 1458.31 278.49 o
-7 5 3 277.50 217.22 101.13 o
-5 5 3 12218.89 12593.87 398.19 o
-3 5 3 54.07 67.49 37.06 o
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1 5 3 3.88 53.65 46.83 o
3 5 3 120333.93 120813.92 4055.97 o
5 5 3 2989.10 3041.42 149.73 o
7 5 3 10185.20 9198.67 332.10 o
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-8 6 3 2446.90 2399.40 126.29 o
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-2 6 3 3010.29 3215.51 119.16 o
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1 7 3 11491.99 11922.80 424.38 o
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5 7 3 1083.99 1117.08 117.85 o
7 7 3 284.54 380.56 115.40 o
9 7 3 0.07 -160.73 160.73 o
-8 8 3 2513.92 2558.04 127.29 o
-6 8 3 6441.77 6685.83 241.85 o
-4 8 3 36785.09 37909.01 1172.15 o
-2 8 3 1860.85 1882.45 96.30 o
0 8 3 48339.59 47991.68 1479.59 o
2 8 3 695.74 732.83 105.26 o
4 8 3 14699.19 14887.42 633.76 o
6 8 3 7340.37 7823.46 358.13 o
8 8 3 3.12 14.93 222.31 o
-7 9 3 741.08 913.11 105.14 o
-5 9 3 577.36 722.29 80.62 o
-3 9 3 14472.43 14753.48 480.25 o
-1 9 3 2882.05 3129.11 129.86 o
1 9 3 14257.91 14031.16 454.67 o
3 9 3 15063.65 15278.48 556.59 o
5 9 3 14780.30 15157.23 585.37 o
7 9 3 4063.56 4212.20 246.13 o
-8 10 3 704.72 684.59 109.68 o
-6 10 3 2628.48 2746.07 133.59 o
-4 10 3 1556.61 1725.46 110.52 o
-2 10 3 44260.19 44613.84 1380.01 o
0 10 3 7119.93 7208.07 283.70 o
2 10 3 12045.06 12272.02 455.64 o
4 10 3 780.65 1049.56 116.04 o
6 10 3 9897.90 10361.68 352.12 o
-7 11 3 3895.08 3995.08 182.17 o
-5 11 3 42.03 143.03 83.51 o
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-1 11 3 395.69 374.22 76.19 o
1 11 3 670.02 731.77 89.01 o
3 11 3 3837.23 4019.93 214.42 o
5 11 3 2064.77 2471.28 156.39 o
7 11 3 308.14 416.10 153.78 o
-6 12 3 9834.61 9420.05 384.42 o
-4 12 3 699.88 864.67 83.85 o
-2 12 3 41746.95 39439.32 1226.81 o
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