#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:01:17 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181901 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/01/2240138.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_2240138
_cell_angle_alpha                90.000
_cell_angle_beta                 100.001
_cell_angle_gamma                90.000
_cell_length_a                   16.9404
_cell_length_b                   10.7783
_cell_length_c                   17.2561
_exptl_crystal_F_000             1552.00
_reflns_d_resolution_high        0.7487
_cod_data_source_file            wm5075Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' IrComplexe2 in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            528.16
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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 205375.30 177401.70 2614.55 o
4 0 0 2023.41 1883.20 37.12 o
6 0 0 22644.63 22320.33 221.61 o
8 0 0 73465.77 75934.87 741.54 o
10 0 0 42353.95 42916.73 580.95 o
12 0 0 49283.83 47966.37 663.74 o
14 0 0 44555.66 44418.78 965.21 o
16 0 0 11310.38 11768.35 300.40 o
18 0 0 19973.43 18647.52 538.74 o
20 0 0 11265.70 11473.19 564.08 o
22 0 0 14141.98 14166.09 525.27 o
1 1 0 103853.97 107498.00 1090.42 o
3 1 0 228014.73 203933.69 2757.75 o
5 1 0 26248.41 25894.16 233.14 o
7 1 0 37940.60 38613.70 309.41 o
9 1 0 29759.26 29988.02 266.62 o
11 1 0 43219.13 43589.55 434.04 o
13 1 0 10686.12 10874.21 179.97 o
15 1 0 26998.15 26566.12 301.13 o
17 1 0 15679.39 15867.20 288.74 o
19 1 0 8746.04 8927.22 229.58 o
21 1 0 9876.46 10315.61 515.72 o
0 2 0 37234.55 37289.22 497.83 o
2 2 0 2772.64 2926.46 185.14 o
4 2 0 8407.50 8288.65 92.84 o
6 2 0 10541.67 10098.72 104.93 o
8 2 0 24325.17 25855.38 213.30 o
10 2 0 15671.94 15793.32 170.93 o
12 2 0 9043.40 8462.33 125.06 o
14 2 0 6430.17 6292.92 138.97 o
16 2 0 1259.04 1426.44 104.01 o
18 2 0 3419.37 3591.61 209.28 o
20 2 0 4752.07 4908.17 199.44 o
22 2 0 6072.02 6431.30 574.24 o
1 3 0 3309.15 3315.44 80.60 o
3 3 0 22860.75 24951.32 298.00 o
5 3 0 5461.11 6080.96 102.58 o
7 3 0 2569.43 2637.59 50.30 o
9 3 0 4340.43 4916.26 127.08 o
11 3 0 2324.31 2268.20 60.74 o
13 3 0 20.07 53.04 44.50 o
15 3 0 470.23 535.86 73.02 o
17 3 0 237.47 278.07 75.26 o
19 3 0 727.50 729.94 92.92 o
21 3 0 310.70 294.94 98.98 o
0 4 0 21536.44 21513.86 526.10 o
2 4 0 3334.39 3529.47 99.56 o
4 4 0 16429.75 16933.84 224.69 o
6 4 0 4325.17 4240.47 130.35 o
8 4 0 958.73 944.11 69.46 o
10 4 0 5959.21 5718.10 133.49 o
12 4 0 13217.82 13312.44 229.61 o
14 4 0 710.32 733.21 88.92 o
16 4 0 450.98 448.97 86.68 o
18 4 0 2006.54 2030.45 132.24 o
20 4 0 1271.88 1329.96 122.28 o
1 5 0 11571.26 10461.54 200.84 o
3 5 0 45006.31 47427.33 564.72 o
5 5 0 13248.01 12805.20 426.23 o
7 5 0 20811.32 20083.04 290.01 o
9 5 0 22175.02 21345.27 320.29 o
11 5 0 18414.97 18587.13 368.75 o
13 5 0 3147.73 3270.92 212.38 o
15 5 0 8269.50 8440.79 229.28 o
17 5 0 4864.74 4999.03 203.94 o
19 5 0 4872.16 5264.58 333.03 o
0 6 0 77344.31 79846.33 1628.94 o
2 6 0 26784.37 25338.75 387.66 o
4 6 0 35357.86 34059.23 468.03 o
6 6 0 30712.95 31240.11 470.90 o
8 6 0 24704.82 23883.03 409.15 o
10 6 0 9614.81 9904.07 257.14 o
12 6 0 18840.36 18273.88 389.99 o
14 6 0 26362.17 25938.71 505.46 o
16 6 0 11034.24 11360.05 478.19 o
18 6 0 9710.36 9704.54 284.52 o
20 6 0 8652.49 9492.81 360.02 o
1 7 0 49848.04 51684.34 684.37 o
3 7 0 59865.04 59223.41 723.57 o
5 7 0 23011.94 22107.85 475.34 o
7 7 0 6496.82 6866.63 237.87 o
9 7 0 9042.58 8913.84 247.46 o
11 7 0 41063.97 38826.98 623.55 o
13 7 0 21234.36 20887.92 442.49 o
15 7 0 11272.48 10727.98 329.19 o
17 7 0 11570.32 10801.45 389.83 o
19 7 0 11568.15 11583.39 699.76 o
0 8 0 33927.12 33822.37 903.09 o
2 8 0 27384.15 27841.39 374.11 o
4 8 0 20927.35 21118.59 477.25 o
6 8 0 7859.36 7384.57 218.31 o
8 8 0 13364.81 13374.21 315.37 o
10 8 0 14317.12 13871.14 335.46 o
12 8 0 10902.18 10209.88 300.08 o
14 8 0 12429.24 12205.61 349.72 o
16 8 0 6391.83 6184.29 231.28 o
18 8 0 3563.47 3072.39 236.74 o
1 9 0 4592.17 4581.37 140.98 o
3 9 0 8049.50 7655.41 283.48 o
5 9 0 10685.35 10403.40 337.09 o
7 9 0 8005.53 8057.01 272.43 o
9 9 0 2083.73 1982.18 199.23 o
11 9 0 3617.46 3580.90 215.10 o
13 9 0 3669.79 3384.99 218.69 o
15 9 0 2322.57 2261.88 190.45 o
17 9 0 1656.99 1911.73 198.45 o
0 10 0 675.69 776.71 91.32 o
2 10 0 30.34 -7.48 41.99 o
4 10 0 43.41 10.67 70.33 o
6 10 0 212.48 193.71 70.24 o
8 10 0 140.21 116.08 73.53 o
10 10 0 167.96 161.12 80.00 o
12 10 0 34.73 39.91 73.91 o
14 10 0 90.50 176.97 100.72 o
16 10 0 128.99 179.23 106.42 o
1 11 0 10485.82 10026.03 300.10 o
3 11 0 1879.50 2035.17 154.25 o
5 11 0 1977.17 2185.32 166.43 o
7 11 0 3133.06 2986.71 168.29 o
9 11 0 3832.78 4137.17 225.78 o
11 11 0 2269.02 1946.17 151.88 o
13 11 0 2138.36 1962.74 192.54 o
0 12 0 20381.04 20115.94 557.01 o
2 12 0 18537.22 17422.32 422.24 o
4 12 0 10674.61 10880.14 316.00 o
6 12 0 8860.80 9215.97 264.35 o
8 12 0 12264.56 12373.37 310.28 o
10 12 0 9123.35 9268.30 329.08 o
12 12 0 6095.86 5752.62 307.09 o
1 13 0 16985.64 16642.13 432.84 o
3 13 0 19374.79 19056.77 1018.97 o
5 13 0 15841.48 16615.53 423.44 o
7 13 0 9149.78 9448.07 328.00 o
9 13 0 8168.16 8471.71 321.33 o
0 14 0 14702.80 14972.77 751.17 o
2 14 0 9127.00 9040.31 335.67 o
4 14 0 6184.94 6227.44 394.88 o
-21 1 1 2108.92 2336.12 181.09 o
-19 1 1 5705.89 5697.97 190.46 o
-17 1 1 4797.75 4863.83 196.16 o
-15 1 1 3988.49 3896.45 141.62 o
-13 1 1 4604.06 4727.41 219.62 o
-11 1 1 1338.52 1293.01 64.61 o
-9 1 1 1278.81 1053.94 48.02 o
-7 1 1 3655.57 3599.33 128.53 o
-5 1 1 19863.82 20247.32 147.99 o
-3 1 1 14728.98 14891.55 143.01 o
-1 1 1 76747.21 77753.84 664.53 o
1 1 1 10008.67 10378.13 93.11 o
3 1 1 10304.91 10156.86 97.43 o
5 1 1 14761.07 14176.51 117.01 o
7 1 1 26082.79 26975.56 203.35 o
9 1 1 16182.25 16255.51 149.89 o
11 1 1 7947.90 7853.79 165.98 o
13 1 1 5536.24 5744.50 110.59 o
15 1 1 3887.41 4128.18 151.01 o
17 1 1 11483.42 11898.75 282.56 o
19 1 1 2697.07 2880.28 161.99 o
21 1 1 728.81 469.30 114.49 o
-22 2 1 8500.75 8411.27 303.94 o
-20 2 1 13482.09 13825.98 297.60 o
-18 2 1 13726.81 13565.87 249.87 o
-16 2 1 18972.04 19417.79 319.69 o
-14 2 1 4506.84 4520.22 120.29 o
-12 2 1 7866.07 7278.02 161.39 o
-10 2 1 24036.85 24354.32 268.10 o
-8 2 1 62610.39 63086.31 447.01 o
-6 2 1 35449.12 35638.05 266.81 o
-4 2 1 36794.39 38025.08 286.44 o
-2 2 1 8310.12 8429.77 95.35 o
0 2 1 30150.68 31485.02 303.64 o
2 2 1 278948.97 263013.19 6840.58 o
4 2 1 119784.59 122743.60 787.52 o
6 2 1 49142.82 48959.71 352.72 o
8 2 1 22234.59 22085.53 268.24 o
10 2 1 30883.21 31459.60 286.51 o
12 2 1 18072.51 18379.96 206.61 o
14 2 1 32719.54 32884.72 342.31 o
16 2 1 15765.37 15378.95 252.49 o
18 2 1 4404.68 4676.21 156.66 o
20 2 1 9364.43 9052.45 273.04 o
-21 3 1 10075.04 10425.42 301.85 o
-19 3 1 20001.01 20023.75 354.58 o
-17 3 1 15842.91 15617.75 295.79 o
-15 3 1 17644.99 17241.21 291.99 o
-13 3 1 31261.28 31681.22 402.32 o
-11 3 1 19930.61 19645.21 239.35 o
-9 3 1 48816.69 49371.27 401.81 o
-7 3 1 64721.82 66126.84 507.39 o
-5 3 1 103564.84 105188.70 887.36 o
-3 3 1 19426.39 18349.65 188.01 o
-1 3 1 85607.47 87112.20 713.73 o
1 3 1 44433.93 44902.46 438.40 o
3 3 1 101319.08 106390.52 960.53 o
5 3 1 168709.16 179608.95 1613.98 o
7 3 1 76517.14 77869.76 625.99 o
9 3 1 37014.05 36156.93 367.81 o
11 3 1 24215.68 24479.98 243.17 o
13 3 1 25826.22 25320.70 348.93 o
15 3 1 7230.49 7210.14 167.14 o
17 3 1 18797.43 18651.11 324.33 o
19 3 1 15655.15 16065.16 317.23 o
21 3 1 11670.55 12177.56 329.36 o
-20 4 1 15429.81 16021.34 325.35 o
-18 4 1 12240.12 12196.53 302.13 o
-16 4 1 17795.12 17666.12 362.22 o
-14 4 1 12276.92 12016.77 334.42 o
-12 4 1 28996.88 29019.63 369.86 o
-10 4 1 31183.31 30575.22 360.98 o
-8 4 1 49875.02 50572.78 507.21 o
-6 4 1 55207.38 56379.68 532.06 o
-4 4 1 25468.19 24551.92 249.40 o
-2 4 1 55411.38 54693.74 500.68 o
0 4 1 42520.38 42665.71 504.22 o
2 4 1 96132.77 96530.37 1323.76 o
4 4 1 38905.11 37546.56 596.56 o
6 4 1 53309.22 53427.95 571.15 o
8 4 1 36122.64 37144.58 462.11 o
10 4 1 26971.50 27003.70 335.11 o
12 4 1 10034.13 9723.52 195.47 o
14 4 1 8690.14 8711.53 198.27 o
16 4 1 17361.43 17566.19 308.38 o
18 4 1 10416.28 10386.09 248.34 o
20 4 1 10085.94 9926.64 258.62 o
-21 5 1 3938.28 4511.33 231.06 o
-19 5 1 7445.43 7771.81 229.16 o
-17 5 1 14424.58 14541.15 322.74 o
-15 5 1 9656.19 9921.73 279.38 o
-13 5 1 5106.40 5301.12 165.51 o
-11 5 1 4137.10 4196.28 172.21 o
-9 5 1 30297.77 30884.58 411.09 o
-7 5 1 17294.45 16470.12 227.56 o
-5 5 1 40814.37 40113.85 460.52 o
-3 5 1 15117.02 15967.28 211.06 o
-1 5 1 7372.49 6477.55 123.04 o
1 5 1 33580.64 33911.53 483.23 o
3 5 1 39675.64 41740.12 665.26 o
5 5 1 16792.29 15558.81 261.80 o
7 5 1 2396.76 2221.65 127.91 o
9 5 1 12220.23 11885.34 528.89 o
11 5 1 2367.75 2127.86 152.74 o
13 5 1 11196.31 10617.33 289.53 o
15 5 1 11588.89 11555.68 241.38 o
17 5 1 5754.45 5602.14 190.69 o
19 5 1 3562.00 3446.64 176.56 o
-20 6 1 2286.69 2851.30 235.55 o
-18 6 1 1211.66 1094.67 154.41 o
-16 6 1 1309.45 1454.85 172.99 o
-14 6 1 2491.35 2063.39 161.48 o
-12 6 1 2945.11 3011.49 241.65 o
-10 6 1 66.37 114.39 59.61 o
-8 6 1 1741.80 1658.51 117.04 o
-6 6 1 10734.25 11377.09 246.69 o
-4 6 1 521.67 670.83 77.92 o
-2 6 1 10115.69 9339.48 155.49 o
0 6 1 4649.03 4269.23 406.53 o
2 6 1 2506.92 2348.26 103.80 o
4 6 1 848.78 697.03 237.73 o
6 6 1 3360.60 2983.24 191.31 o
8 6 1 689.94 657.34 98.37 o
10 6 1 1918.09 1888.14 134.09 o
12 6 1 5641.56 5663.62 240.12 o
14 6 1 106.79 172.87 68.93 o
16 6 1 1844.65 1704.65 139.62 o
18 6 1 1542.24 1429.49 141.86 o
20 6 1 561.94 479.60 144.21 o
-19 7 1 786.73 769.11 148.66 o
-17 7 1 603.02 651.67 128.79 o
-15 7 1 546.02 486.16 106.90 o
-13 7 1 284.47 322.80 86.24 o
-11 7 1 92.54 192.52 75.31 o
-9 7 1 108.94 102.65 92.50 o
-7 7 1 2210.81 2063.41 132.10 o
-5 7 1 277.37 242.29 55.66 o
-3 7 1 185.49 183.71 40.61 o
-1 7 1 3661.63 3193.42 112.15 o
1 7 1 1241.67 1280.95 114.92 o
3 7 1 1831.19 1961.15 203.97 o
5 7 1 159.79 202.39 65.56 o
7 7 1 200.57 339.90 68.70 o
9 7 1 1837.94 1538.08 123.73 o
11 7 1 1093.40 1063.89 115.59 o
13 7 1 1277.69 1269.73 120.60 o
15 7 1 131.37 120.38 69.71 o
17 7 1 191.62 132.11 80.08 o
19 7 1 57.74 45.59 102.23 o
-18 8 1 4872.10 5279.13 303.23 o
-16 8 1 5221.88 5311.64 270.08 o
-14 8 1 4561.16 4506.74 247.66 o
-12 8 1 7749.90 7948.29 264.64 o
-10 8 1 7026.72 6727.09 295.01 o
-8 8 1 2645.04 2492.74 222.83 o
-6 8 1 5867.56 6072.76 303.36 o
-4 8 1 18090.29 18140.62 433.62 o
-2 8 1 22032.82 22183.24 320.60 o
0 8 1 11538.29 11232.51 214.37 o
2 8 1 7874.76 7757.92 203.44 o
4 8 1 6412.35 6004.80 236.51 o
6 8 1 7478.51 7327.74 489.53 o
8 8 1 3284.43 3098.40 206.44 o
10 8 1 3807.35 3675.01 188.66 o
12 8 1 3916.00 4173.23 187.56 o
14 8 1 4942.37 4912.01 214.35 o
16 8 1 2682.86 2603.15 176.92 o
18 8 1 2635.61 2970.35 240.65 o
-17 9 1 9056.77 9463.19 349.15 o
-15 9 1 7863.80 7966.56 303.66 o
-13 9 1 10121.14 10559.46 328.20 o
-11 9 1 11415.72 10920.84 316.92 o
-9 9 1 25653.08 25755.89 491.03 o
-7 9 1 16542.68 16391.79 360.39 o
-5 9 1 19223.88 19338.27 480.18 o
-3 9 1 18371.50 19165.91 680.84 o
-1 9 1 17139.61 17657.30 294.87 o
1 9 1 24086.67 24058.24 364.82 o
3 9 1 32107.61 31853.59 514.14 o
5 9 1 34136.84 33658.43 547.77 o
7 9 1 19030.62 18863.48 337.42 o
9 9 1 11322.30 10857.24 257.83 o
11 9 1 6599.95 6948.26 217.34 o
13 9 1 12931.06 13583.47 324.86 o
15 9 1 9361.95 9694.68 285.73 o
17 9 1 5211.44 4890.68 293.62 o
-16 10 1 9932.59 10311.66 403.02 o
-14 10 1 7866.91 8339.85 388.61 o
-12 10 1 9923.78 9932.72 325.03 o
-10 10 1 13930.38 13065.28 353.74 o
-8 10 1 22560.79 22193.69 460.88 o
-6 10 1 29800.26 30517.21 542.85 o
-4 10 1 12325.91 12884.53 396.84 o
-2 10 1 20555.61 20798.50 490.89 o
0 10 1 16528.97 16794.30 275.65 o
2 10 1 26489.51 27026.49 474.69 o
4 10 1 35827.46 36053.27 586.48 o
6 10 1 42358.21 42338.09 672.29 o
8 10 1 19644.96 19676.78 367.94 o
10 10 1 13958.62 13935.75 315.54 o
12 10 1 14541.86 14037.10 331.05 o
14 10 1 7259.47 6842.37 288.12 o
-13 11 1 5358.32 5313.47 407.59 o
-11 11 1 8083.43 8186.97 437.67 o
-9 11 1 10428.91 10447.03 321.22 o
-7 11 1 4851.00 5267.88 233.04 o
-5 11 1 18514.44 19397.25 429.20 o
-3 11 1 19861.52 21560.52 561.99 o
-1 11 1 9772.16 9885.00 217.38 o
1 11 1 10216.27 10187.41 221.84 o
3 11 1 15406.31 15100.25 354.78 o
5 11 1 24354.78 24336.22 773.07 o
7 11 1 18675.73 18169.63 359.79 o
9 11 1 16542.32 16504.38 354.51 o
11 11 1 4802.29 4624.35 228.65 o
13 11 1 6572.76 6782.30 419.27 o
-12 12 1 1974.56 1663.53 182.99 o
-10 12 1 2058.96 2302.97 195.15 o
-8 12 1 3593.59 4197.79 228.21 o
-6 12 1 3593.75 3782.82 193.59 o
-4 12 1 3971.66 4382.00 237.18 o
-2 12 1 8316.14 8832.81 297.73 o
0 12 1 3709.93 3415.98 187.66 o
2 12 1 4798.80 4879.85 231.87 o
4 12 1 5380.53 5528.08 228.03 o
6 12 1 6180.30 6091.52 214.31 o
8 12 1 1711.84 1561.08 138.31 o
10 12 1 1768.96 1415.94 161.27 o
12 12 1 4426.99 4389.38 306.24 o
-9 13 1 9.49 -18.26 85.05 o
-7 13 1 38.50 28.39 87.76 o
-5 13 1 998.36 1013.54 129.94 o
-3 13 1 740.40 801.31 128.96 o
-1 13 1 733.68 719.82 121.05 o
1 13 1 31.49 62.20 84.97 o
3 13 1 46.41 147.76 89.89 o
5 13 1 316.81 362.52 98.66 o
7 13 1 102.29 107.39 88.65 o
9 13 1 8.45 81.55 97.94 o
-4 14 1 381.99 550.41 131.05 o
-2 14 1 895.42 750.77 141.43 o
0 14 1 2728.74 3302.32 241.81 o
2 14 1 2858.66 3065.21 228.71 o
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-22 0 2 6060.17 6177.42 375.64 o
-20 0 2 12365.83 12048.12 449.11 o
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-8 0 2 32393.94 30953.32 374.12 o
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0 0 2 62271.73 64348.07 832.96 o
2 0 2 43431.78 44927.91 429.03 o
4 0 2 123942.60 123812.09 1046.14 o
6 0 2 41040.65 40466.41 338.77 o
8 0 2 31893.78 31852.04 325.08 o
10 0 2 63270.41 66033.88 625.85 o
12 0 2 47353.73 48661.75 495.32 o
14 0 2 28462.29 28508.00 392.04 o
16 0 2 32881.80 32862.02 668.85 o
18 0 2 17477.00 17426.26 973.43 o
20 0 2 2319.44 2440.93 255.15 o
-21 1 2 8392.37 8537.65 289.43 o
-19 1 2 9721.13 9694.30 276.84 o
-17 1 2 18772.65 19008.30 438.08 o
-15 1 2 29772.94 29363.96 618.45 o
-13 1 2 26931.61 26436.76 303.48 o
-11 1 2 31221.12 30368.06 267.83 o
-9 1 2 9040.10 8801.17 115.51 o
-7 1 2 24002.81 23505.42 196.09 o
-5 1 2 37680.74 38450.49 297.10 o
-3 1 2 50688.15 51808.60 338.47 o
-1 1 2 74807.82 77552.26 435.36 o
1 1 2 138355.92 138190.92 1812.81 o
3 1 2 51493.51 52483.88 333.83 o
5 1 2 9698.06 10171.88 89.48 o
7 1 2 52530.91 52715.21 338.84 o
9 1 2 37701.41 36625.61 278.61 o
11 1 2 44082.52 44461.28 338.31 o
13 1 2 31061.73 31229.45 291.81 o
15 1 2 15962.65 15979.34 222.06 o
17 1 2 4726.13 4863.91 170.31 o
19 1 2 12520.43 12482.16 322.85 o
21 1 2 10986.04 11264.35 325.64 o
-22 2 2 1839.24 1741.83 167.76 o
-20 2 2 4934.54 4903.79 188.50 o
-18 2 2 8043.50 8098.97 262.73 o
-16 2 2 3191.63 3187.90 144.85 o
-14 2 2 10061.48 9956.75 207.04 o
-12 2 2 15364.21 15492.60 264.12 o
-10 2 2 24340.21 24010.08 221.25 o
-8 2 2 6311.71 6497.33 91.87 o
-6 2 2 20039.36 20303.83 185.26 o
-4 2 2 37831.49 37866.02 278.92 o
-2 2 2 2941.09 3488.98 46.43 o
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