#------------------------------------------------------------------------------
#$Date: 2016-10-07 04:51:23 +0300 (Fri, 07 Oct 2016) $
#$Revision: 186986 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/05/2020598.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_2020598
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   11.7826
_cell_length_b                   11.7826
_cell_length_c                   47.7550
_exptl_crystal_F_000             2448.00
_reflns_d_resolution_high        0.7697
_cod_data_source_file            yp310920140719_l65tl_73sup2.hkl
_cod_data_source_block           20140719_l65tl_73
_shelx_title                     ' 20140719_l65tl_73'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            558.92
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 2 0 76062.98 76698.34 918.61 o
-2 4 0 37293.59 38322.27 182.29 o
-1 5 0 113971.25 110555.62 559.80 o
-3 6 0 99570.44 96725.09 594.42 o
0 6 0 77354.84 77172.64 341.63 o
-5 7 0 71266.34 70093.36 461.11 o
-2 7 0 53042.00 51197.82 229.66 o
-7 8 0 95515.00 97857.29 996.62 o
-4 8 0 63494.46 64126.69 417.81 o
-1 8 0 33901.87 33262.93 251.35 o
-6 9 0 25738.58 25357.04 161.31 o
-3 9 0 33486.36 32432.60 233.12 o
0 9 0 28392.03 27680.26 281.39 o
-8 10 0 35608.15 35740.46 387.41 o
-5 10 0 31292.72 30941.98 286.19 o
-2 10 0 19831.00 18878.58 215.77 o
-10 11 0 9443.55 9244.44 94.53 o
-7 11 0 11854.54 11258.00 155.35 o
-4 11 0 13082.32 13131.10 195.94 o
-1 11 0 8748.67 8364.81 107.22 o
-9 12 0 6786.25 6881.84 96.36 o
-6 12 0 8439.77 8209.72 110.24 o
-3 12 0 13718.19 13826.32 184.19 o
0 12 0 4120.34 4034.02 126.71 o
-11 13 0 6982.93 6895.78 120.12 o
-8 13 0 12664.18 12430.98 142.49 o
-5 13 0 11670.68 11855.92 141.64 o
-2 13 0 5120.71 5060.98 122.15 o
-10 14 0 3996.36 3945.93 136.04 o
-7 14 0 3946.34 4209.92 135.01 o
-4 14 0 5039.89 5362.34 144.13 o
-9 15 0 2652.66 2732.29 131.41 o
-6 15 0 5468.06 5343.72 146.03 o
-3 2 1 46134.55 61537.96 554.66 o
-5 3 1 13704.70 14673.98 94.98 o
-2 3 1 121.65 345.74 25.45 o
1 3 1 7525.49 9344.58 102.25 o
-7 4 1 138.17 150.13 37.74 o
-4 4 1 5118.29 6029.92 78.45 o
-1 4 1 202.91 93.08 24.82 o
2 4 1 11781.89 13198.56 91.96 o
-9 5 1 274.20 327.93 47.27 o
-6 5 1 21344.61 21448.38 144.82 o
-3 5 1 88.04 171.76 28.37 o
0 5 1 4211.74 4916.08 72.79 o
3 5 1 2992.71 3509.15 56.08 o
-11 6 1 138.15 92.96 53.65 o
-8 6 1 607.91 636.77 43.76 o
-5 6 1 991.36 1231.48 48.88 o
-2 6 1 2505.08 2767.08 49.25 o
1 6 1 2073.87 2206.86 55.62 o
4 6 1 1243.29 1308.27 50.12 o
-13 7 1 35.91 69.14 87.98 o
-10 7 1 1687.43 1661.29 57.35 o
-7 7 1 481.72 703.06 51.56 o
-4 7 1 830.18 1242.31 41.94 o
-1 7 1 83.69 257.06 39.79 o
2 7 1 4785.21 4853.92 68.36 o
5 7 1 986.85 903.73 65.20 o
-15 8 1 8.59 66.30 114.92 o
-12 8 1 67.53 60.90 70.64 o
-9 8 1 435.34 530.69 47.59 o
-6 8 1 633.01 562.56 42.12 o
-3 8 1 902.45 1004.61 46.89 o
0 8 1 602.72 563.30 54.03 o
3 8 1 4.06 36.78 52.16 o
6 8 1 8.84 -14.63 109.76 o
-14 9 1 20.56 25.46 108.41 o
-11 9 1 203.57 157.07 55.95 o
-8 9 1 2134.68 2214.53 67.61 o
-5 9 1 3571.30 3704.15 59.33 o
-2 9 1 542.66 592.94 48.16 o
1 9 1 407.41 386.93 56.77 o
4 9 1 197.21 208.54 89.86 o
-13 10 1 2.92 35.29 111.21 o
-10 10 1 259.08 185.61 61.47 o
-7 10 1 133.16 160.27 45.26 o
-4 10 1 3098.97 3088.48 63.92 o
-1 10 1 217.56 329.18 55.07 o
2 10 1 945.35 941.28 80.25 o
5 10 1 14.05 19.30 115.94 o
-12 11 1 901.48 862.34 99.33 o
-9 11 1 3.88 24.35 55.88 o
-6 11 1 4.90 68.83 51.19 o
-3 11 1 131.88 214.99 57.14 o
0 11 1 563.63 493.67 71.44 o
3 11 1 14.84 -16.99 115.19 o
-14 12 1 178.02 55.47 129.96 o
-11 12 1 507.39 459.86 95.74 o
-8 12 1 54.46 87.34 67.16 o
-5 12 1 5.56 38.00 67.25 o
-2 12 1 69.66 92.66 91.72 o
1 12 1 5.77 -26.09 95.25 o
-10 13 1 283.99 163.32 90.58 o
-7 13 1 21.04 20.48 87.52 o
-4 13 1 186.80 226.00 99.75 o
-1 13 1 184.33 256.97 130.14 o
-12 14 1 1.07 13.66 113.56 o
-9 14 1 2.29 13.44 108.75 o
-6 14 1 124.67 218.02 112.99 o
-3 14 1 19.93 23.34 112.25 o
-8 15 1 1.10 0.70 110.44 o
-5 15 1 111.80 55.87 116.58 o
-2 2 2 114742.95 81397.09 880.60 o
-4 3 2 39974.43 40778.84 215.51 o
-1 3 2 28513.54 23958.87 153.13 o
2 3 2 89392.45 88718.69 352.03 o
-6 4 2 66860.93 67933.20 251.86 o
-3 4 2 105117.92 91039.91 1026.21 o
0 4 2 109771.16 111353.47 619.60 o
3 4 2 50458.89 51557.57 208.70 o
-8 5 2 59861.84 58117.59 376.72 o
-5 5 2 158924.56 168017.34 1306.28 o
-2 5 2 61250.49 55460.88 209.25 o
1 5 2 82448.16 85673.88 348.78 o
4 5 2 41199.77 39507.81 299.14 o
-10 6 2 12242.34 11770.75 119.79 o
-7 6 2 51031.77 52421.17 289.69 o
-4 6 2 54642.55 56342.54 219.57 o
-1 6 2 53187.86 52259.84 244.82 o
2 6 2 100305.20 104935.55 772.53 o
5 6 2 16612.80 16281.42 157.57 o
-12 7 2 14626.18 14791.96 174.19 o
-9 7 2 24589.50 22906.79 188.97 o
-6 7 2 100076.16 103672.53 892.48 o
-3 7 2 77560.41 79877.45 324.24 o
0 7 2 44372.00 46124.35 369.47 o
3 7 2 11597.36 11550.66 103.18 o
6 7 2 10728.79 10988.36 136.98 o
-14 8 2 4321.89 4649.78 138.62 o
-11 8 2 9986.00 9591.04 150.75 o
-8 8 2 41790.51 40853.62 444.22 o
-5 8 2 30004.52 30565.86 223.85 o
-2 8 2 39110.11 37130.54 231.88 o
1 8 2 44307.34 43573.39 406.34 o
4 8 2 8635.60 8719.38 109.51 o
7 8 2 2543.44 2624.20 131.24 o
-13 9 2 9344.03 9620.51 145.87 o
-10 9 2 16032.16 15631.47 239.71 o
-7 9 2 41191.39 40411.97 275.89 o
-4 9 2 41128.55 40809.28 327.63 o
-1 9 2 37898.27 37107.69 373.37 o
2 9 2 20043.79 18892.05 234.06 o
5 9 2 5207.02 5055.35 140.47 o
-15 10 2 4657.29 4608.85 144.08 o
-12 10 2 13090.25 12970.84 173.79 o
-9 10 2 26214.53 25079.22 318.61 o
-6 10 2 44582.98 43080.89 366.45 o
-3 10 2 30722.80 29240.43 267.61 o
0 10 2 9150.18 8659.99 149.97 o
3 10 2 7635.94 7586.08 122.44 o
-14 11 2 2636.80 2656.01 126.69 o
-11 11 2 10037.46 10110.70 281.25 o
-8 11 2 12767.63 11798.44 154.95 o
-5 11 2 9466.69 9108.45 147.14 o
-2 11 2 10106.24 9439.92 116.84 o
1 11 2 5678.55 5626.05 103.63 o
-13 12 2 3348.63 3625.70 116.75 o
-10 12 2 4159.95 4182.69 98.61 o
-7 12 2 9926.61 9560.29 112.93 o
-4 12 2 17256.58 16907.47 191.17 o
-1 12 2 4504.52 4298.54 146.64 o
2 12 2 4421.61 4419.02 138.80 o
-12 13 2 6239.13 6171.40 164.43 o
-9 13 2 6022.57 5902.65 114.89 o
-6 13 2 9147.79 9349.01 130.10 o
-3 13 2 6877.74 6873.27 148.99 o
0 13 2 2624.50 2595.56 187.31 o
-11 14 2 4243.74 4452.60 136.19 o
-8 14 2 5500.06 5347.06 144.38 o
-5 14 2 6130.55 6515.44 148.10 o
-2 14 2 2726.77 2782.68 132.37 o
-10 15 2 2009.95 2112.10 126.56 o
-7 15 2 4014.35 4009.69 137.34 o
1 1 3 70485.76 50316.75 660.71 o
-1 2 3 96666.66 73178.41 857.20 o
2 2 3 10199.58 8046.51 71.53 o
-3 3 3 161.03 332.72 29.83 o
0 3 3 236.31 730.35 31.14 o
3 3 3 20986.71 22313.79 118.58 o
-5 4 3 37885.23 38698.26 167.25 o
-2 4 3 10746.41 11678.21 152.50 o
1 4 3 2701.22 2405.36 49.71 o
4 4 3 982.70 1089.98 44.30 o
-7 5 3 875.90 655.17 40.69 o
-4 5 3 125.88 177.29 40.43 o
-1 5 3 304.39 484.15 37.40 o
2 5 3 1191.09 1093.48 43.03 o
5 5 3 1121.56 1030.72 48.92 o
-9 6 3 160.24 252.92 45.44 o
-6 6 3 350.66 468.87 42.73 o
-3 6 3 1719.83 2038.71 44.31 o
0 6 3 522.69 481.83 41.95 o
3 6 3 145.29 197.27 42.21 o
6 6 3 1444.38 1395.07 74.06 o
-11 7 3 595.25 579.96 59.12 o
-8 7 3 78.24 150.60 40.93 o
-5 7 3 1052.58 1119.40 43.13 o
-2 7 3 9634.92 9290.26 74.49 o
1 7 3 1240.93 1126.43 54.25 o
4 7 3 888.80 716.17 53.07 o
7 7 3 149.33 184.79 102.13 o
-13 8 3 93.20 138.72 86.26 o
-10 8 3 1296.11 1182.13 58.83 o
-7 8 3 831.33 975.02 70.07 o
-4 8 3 1046.42 1233.95 44.22 o
-1 8 3 8361.35 8716.53 97.02 o
2 8 3 2156.07 1961.51 57.64 o
5 8 3 278.03 220.75 87.34 o
-15 9 3 194.64 66.35 117.80 o
-12 9 3 522.17 420.68 71.24 o
-9 9 3 120.59 103.87 54.49 o
-6 9 3 457.27 595.92 44.68 o
-3 9 3 4290.37 4357.16 68.56 o
0 9 3 483.68 436.51 53.70 o
3 9 3 1634.65 1473.05 68.76 o
6 9 3 219.33 203.44 113.96 o
-14 10 3 30.10 -0.87 111.82 o
-11 10 3 1808.86 1547.20 64.42 o
-8 10 3 257.94 279.35 51.22 o
-5 10 3 259.65 280.87 47.06 o
-2 10 3 349.03 462.03 56.30 o
1 10 3 138.32 210.69 56.46 o
4 10 3 120.37 118.96 114.07 o
-13 11 3 303.35 297.19 98.73 o
-10 11 3 766.23 680.06 64.83 o
-7 11 3 2189.60 2402.97 62.50 o
-4 11 3 6604.33 6590.71 90.44 o
-1 11 3 510.91 608.22 68.08 o
2 11 3 252.66 282.06 88.64 o
-12 12 3 596.33 437.45 106.29 o
-9 12 3 216.23 264.69 84.02 o
-6 12 3 312.27 509.62 75.72 o
-3 12 3 71.18 197.35 104.67 o
0 12 3 392.85 464.77 95.19 o
-11 13 3 71.53 72.50 111.07 o
-8 13 3 31.47 -2.42 96.10 o
-5 13 3 414.52 524.45 90.93 o
-2 13 3 137.66 184.61 112.19 o
-10 14 3 460.27 480.08 117.27 o
-7 14 3 349.79 333.27 118.19 o
-4 14 3 43.84 73.33 112.13 o
-9 15 3 104.88 110.03 114.42 o
-6 15 3 13.74 39.27 118.77 o
0 2 4 122398.06 84916.66 701.20 o
-5 3 4 32489.82 28223.10 140.45 o
1 3 4 186679.17 192799.73 1373.71 o
-7 4 4 57522.84 59888.75 245.40 o
-4 4 4 139765.36 136511.19 3605.32 o
-1 4 4 35623.95 33476.04 188.60 o
2 4 4 126893.36 131938.38 539.17 o
-9 5 4 19200.29 17906.12 174.51 o
-6 5 4 123191.64 131633.86 628.90 o
-3 5 4 68366.54 65022.09 540.68 o
0 5 4 38601.76 37892.71 173.78 o
3 5 4 54713.81 55784.87 401.27 o
-11 6 4 13477.80 13684.09 178.93 o
-8 6 4 37096.92 34726.03 192.18 o
-5 6 4 44258.99 41742.31 220.46 o
-2 6 4 84127.37 81023.81 383.48 o
1 6 4 102114.19 107757.54 502.10 o
4 6 4 23180.00 22943.88 190.34 o
-13 7 4 8347.60 8773.45 127.48 o
-10 7 4 11215.63 10542.77 112.94 o
-7 7 4 77462.05 80730.73 350.01 o
-4 7 4 66308.17 66081.53 241.56 o
-1 7 4 50243.88 47367.93 292.13 o
2 7 4 31264.12 31201.29 276.30 o
5 7 4 10558.14 10256.24 145.49 o
-15 8 4 2664.89 2702.59 132.27 o
-12 8 4 10486.71 10671.06 181.00 o
-9 8 4 23328.78 23121.58 282.27 o
-6 8 4 52328.45 52580.84 394.62 o
-3 8 4 34831.79 33401.40 267.46 o
0 8 4 15338.55 15130.69 119.16 o
3 8 4 13279.23 12734.10 142.15 o
6 8 4 5230.80 5227.77 125.22 o
-14 9 4 3791.79 4157.56 120.84 o
-11 9 4 11000.56 10465.39 115.31 o
-8 9 4 16662.23 16468.57 173.96 o
-5 9 4 32027.83 31043.10 227.29 o
-2 9 4 51387.63 51253.53 422.50 o
1 9 4 12635.82 12075.27 176.13 o
4 9 4 6118.20 6369.79 118.79 o
-13 10 4 6112.61 6200.49 147.45 o
-10 10 4 15163.88 15039.96 157.83 o
-7 10 4 22436.04 21601.15 163.63 o
-4 10 4 16611.27 16347.14 180.99 o
-1 10 4 16430.87 15574.13 213.60 o
2 10 4 12565.21 12042.72 126.98 o
5 10 4 2583.75 2931.82 184.08 o
-12 11 4 11806.65 11894.73 150.89 o
-9 11 4 11750.83 11203.20 154.16 o
-6 11 4 20800.33 20514.72 181.28 o
-3 11 4 14393.42 13938.23 265.82 o
0 11 4 3371.24 3331.91 82.95 o
3 11 4 4557.57 4675.40 138.74 o
-14 12 4 2388.34 2259.15 188.66 o
-11 12 4 6776.00 6899.20 144.26 o
-8 12 4 5109.53 5087.32 98.87 o
-5 12 4 12887.75 12821.62 164.04 o
-2 12 4 7563.22 7499.58 143.76 o
1 12 4 3884.51 3871.93 107.61 o
-13 13 4 1778.31 1834.34 164.97 o
-10 13 4 3175.21 3156.55 127.14 o
-7 13 4 6553.72 6587.17 128.62 o
-4 13 4 5486.83 5424.26 125.87 o
-1 13 4 2974.09 2972.00 181.95 o
-12 14 4 4162.14 4165.91 137.15 o
-9 14 4 3181.66 3029.90 131.92 o
-6 14 4 5790.17 5818.34 147.16 o
-3 14 4 2351.37 2288.57 125.14 o
-8 15 4 2657.45 2691.87 131.17 o
-5 15 4 3502.26 3579.25 197.90 o
1 2 5 43365.88 54942.28 311.19 o
-4 3 5 7129.30 8393.28 72.00 o
-1 3 5 47143.67 59739.69 790.71 o
2 3 5 81834.02 86609.63 295.53 o
-6 4 5 2516.74 1889.11 60.33 o
-3 4 5 2092.03 2597.90 54.80 o
0 4 5 5011.56 5237.46 63.78 o
3 4 5 18095.69 18935.11 101.27 o
-8 5 5 6195.97 6210.54 73.46 o
-5 5 5 37376.99 41580.92 176.01 o
-2 5 5 27437.77 31498.40 240.05 o
1 5 5 1391.42 1300.70 46.04 o
4 5 5 378.45 407.70 43.02 o
-10 6 5 4047.84 3933.81 67.25 o
-7 6 5 6545.07 6040.63 66.24 o
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-1 6 5 13165.83 12389.81 103.83 o
2 6 5 2131.05 1954.48 52.08 o
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-12 7 5 1425.89 1171.55 72.23 o
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-3 7 5 7289.07 6438.84 69.58 o
0 7 5 1038.28 1153.63 43.75 o
3 7 5 7211.60 6707.91 74.25 o
6 7 5 820.48 796.86 90.38 o
-14 8 5 311.09 242.67 92.82 o
-11 8 5 4815.19 4434.87 78.92 o
-8 8 5 701.76 698.03 46.59 o
-5 8 5 7319.55 7806.62 76.63 o
-2 8 5 8689.48 9277.55 90.09 o
1 8 5 1633.75 1657.16 56.18 o
4 8 5 2758.21 2631.93 74.85 o
7 8 5 867.91 719.96 119.01 o
-13 9 5 162.70 128.17 96.39 o
-10 9 5 3125.23 2799.86 64.02 o
-7 9 5 586.46 613.49 47.57 o
-4 9 5 1739.99 1809.65 52.04 o
-1 9 5 7103.70 7360.44 98.08 o
2 9 5 1857.24 1868.87 67.95 o
5 9 5 67.12 56.93 90.60 o
-12 10 5 297.43 292.17 73.83 o
-9 10 5 770.57 832.52 58.79 o
-6 10 5 5289.62 5550.69 70.27 o
-3 10 5 6145.72 6136.93 85.81 o
0 10 5 1023.31 1149.96 67.44 o
3 10 5 1019.91 991.48 93.86 o
-14 11 5 506.62 361.93 113.99 o
-11 11 5 3311.76 3241.68 111.01 o
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-2 11 5 266.27 434.53 65.26 o
1 11 5 381.70 599.73 81.20 o
-13 12 5 579.70 546.33 129.28 o
-10 12 5 1438.12 1535.25 91.66 o
-7 12 5 1245.60 1456.47 79.22 o
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2 12 5 65.33 -47.11 172.36 o
-12 13 5 179.39 175.59 153.61 o
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0 13 5 843.33 696.63 119.67 o
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-2 14 5 417.88 470.07 161.90 o
-7 15 5 216.32 282.73 119.44 o
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-1 2 6 115287.39 93528.34 1024.63 o
2 2 6 142536.66 146482.81 1778.80 o
-3 3 6 223651.16 185204.61 1396.47 o
0 3 6 40291.21 37790.00 214.29 o
3 3 6 151266.08 163049.72 1020.87 o
-5 4 6 72095.04 76532.17 260.56 o
-2 4 6 71087.23 69640.95 764.68 o
1 4 6 74907.08 76913.35 287.74 o
4 4 6 18188.54 17295.69 114.08 o
-7 5 6 46479.53 48083.48 264.74 o
-4 5 6 29729.23 28775.85 177.89 o
-1 5 6 28994.77 25678.33 158.54 o
2 5 6 74158.51 73319.30 388.95 o
5 5 6 9739.86 9710.87 91.31 o
-9 6 6 18617.48 17832.42 130.48 o
-6 6 6 69752.49 71000.48 400.69 o
-3 6 6 55095.05 58689.88 230.51 o
0 6 6 41059.44 41338.99 237.89 o
3 6 6 19139.83 19148.57 146.67 o
6 6 6 10868.27 10663.09 127.10 o
-11 7 6 12924.41 12711.04 163.36 o
-8 7 6 26497.75 26155.45 231.52 o
-5 7 6 57097.65 56102.43 388.93 o
-2 7 6 56958.45 57002.87 278.95 o
1 7 6 45277.93 45982.48 344.89 o
4 7 6 19821.04 19655.52 258.20 o
7 7 6 3740.12 3810.49 107.64 o
-13 8 6 4583.74 4883.27 111.35 o
-10 8 6 14986.18 15171.60 167.08 o
-7 8 6 35029.40 34753.37 290.04 o
-4 8 6 42476.50 40355.22 238.45 o
-1 8 6 34107.25 33951.06 216.47 o
2 8 6 12584.77 12579.99 145.69 o
5 8 6 5890.60 6257.86 117.62 o
-15 9 6 3073.87 3119.33 131.52 o
-12 9 6 9115.86 8933.63 169.39 o
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