#------------------------------------------------------------------------------
#$Date: 2021-09-11 04:58:07 +0300 (Sat, 11 Sep 2021) $
#$Revision: 269099 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/24/2022451.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_2022451
_cell_angle_alpha                90.000
_cell_angle_beta                 127.393
_cell_angle_gamma                90.000
_cell_length_a                   25.7253
_cell_length_b                   5.0236
_cell_length_c                   17.2743
_exptl_crystal_F_000             1060.00
_reflns_d_resolution_high        0.8363
_cod_data_source_file            cu3174Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' W428R-15-Gd in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            346.63
_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
4 0 0 76391.70 68147.27 1034.77 o
6 0 0 229.37 479.32 36.48 o
8 0 0 10396.52 10887.73 226.26 o
10 0 0 20192.22 21038.48 437.66 o
12 0 0 51142.83 51896.20 1739.96 o
14 0 0 56540.25 57153.55 1066.84 o
16 0 0 20009.29 20137.58 402.81 o
18 0 0 8536.23 8777.10 204.65 o
20 0 0 6088.25 6284.91 179.48 o
22 0 0 7689.48 8034.07 189.83 o
24 0 0 4152.89 3808.99 191.83 o
1 1 0 53888.15 50111.26 380.72 o
3 1 0 82286.88 79550.14 810.95 o
5 1 0 50686.65 51338.07 786.07 o
7 1 0 25430.12 27020.90 326.24 o
9 1 0 10631.51 10694.93 153.70 o
11 1 0 21174.65 22073.84 248.82 o
13 1 0 15293.67 15531.00 229.36 o
15 1 0 22523.22 22746.39 286.39 o
17 1 0 29319.55 30336.37 480.22 o
19 1 0 7056.44 7208.04 133.98 o
21 1 0 9186.53 9228.85 210.07 o
23 1 0 3943.57 3687.60 129.71 o
0 2 0 3473.03 3421.53 49.26 o
2 2 0 11330.42 11237.22 99.01 o
4 2 0 8870.06 8985.44 97.50 o
6 2 0 21314.28 21443.02 264.37 o
8 2 0 12829.78 13042.39 199.16 o
10 2 0 20129.65 20666.41 336.26 o
12 2 0 9094.53 9084.98 166.78 o
14 2 0 8040.62 8067.44 155.26 o
16 2 0 3370.93 3451.06 79.82 o
18 2 0 11099.18 11109.71 174.68 o
20 2 0 11503.20 11321.58 180.25 o
22 2 0 6025.82 6208.31 108.88 o
1 3 0 179.41 163.06 11.68 o
3 3 0 4474.71 4583.81 65.57 o
5 3 0 4578.31 4619.68 65.14 o
7 3 0 7783.67 7846.66 100.57 o
9 3 0 5716.55 5729.59 101.70 o
11 3 0 1494.73 1472.46 61.54 o
13 3 0 2430.28 2505.35 81.36 o
15 3 0 1262.19 1318.74 84.78 o
17 3 0 2354.20 2291.84 70.46 o
19 3 0 1381.46 1495.05 58.27 o
21 3 0 1415.62 1619.58 62.21 o
0 4 0 748.04 747.90 43.95 o
2 4 0 5.87 -4.09 16.57 o
4 4 0 234.30 205.78 25.62 o
6 4 0 219.73 211.53 21.79 o
8 4 0 901.78 972.73 42.60 o
10 4 0 16.87 -23.97 23.97 o
12 4 0 189.06 189.04 34.66 o
14 4 0 62.30 32.80 31.93 o
16 4 0 29.04 17.78 49.54 o
18 4 0 1.38 -9.04 33.35 o
1 5 0 340.25 304.32 43.17 o
3 5 0 435.45 438.46 35.30 o
5 5 0 3135.15 3201.69 78.11 o
7 5 0 707.08 634.44 50.05 o
9 5 0 4069.25 4124.50 90.14 o
11 5 0 63.14 51.38 34.99 o
13 5 0 606.01 618.37 68.67 o
-23 1 1 1437.11 1585.23 96.50 o
-21 1 1 3001.20 3054.06 89.49 o
-19 1 1 810.57 699.22 44.05 o
-17 1 1 5850.17 5932.57 94.76 o
-15 1 1 31.15 31.86 20.04 o
-13 1 1 3788.16 3969.21 65.33 o
-11 1 1 1800.42 1833.78 35.80 o
-9 1 1 35553.64 39444.32 591.08 o
-7 1 1 35994.10 36603.58 431.48 o
-5 1 1 20578.65 20655.61 266.73 o
-3 1 1 35191.67 35135.13 341.68 o
-1 1 1 13852.04 14672.84 118.59 o
1 1 1 735.51 635.80 14.69 o
3 1 1 2442.34 2724.39 35.76 o
5 1 1 12191.05 12783.25 145.38 o
7 1 1 6050.90 6025.87 74.92 o
9 1 1 2437.59 2268.07 42.46 o
11 1 1 3840.47 4232.48 61.47 o
13 1 1 1490.21 1451.85 39.47 o
15 1 1 1292.95 1347.55 42.83 o
17 1 1 30.12 67.23 32.93 o
19 1 1 2345.71 2397.73 84.85 o
21 1 1 668.60 488.11 74.07 o
23 1 1 617.57 433.22 68.13 o
-22 2 1 6711.94 6161.73 452.02 o
-20 2 1 7544.48 7988.81 138.36 o
-18 2 1 13305.11 13414.92 204.31 o
-16 2 1 2012.35 2000.51 61.28 o
-14 2 1 3666.81 3706.66 90.11 o
-12 2 1 4152.51 4182.64 92.69 o
-10 2 1 15396.09 15064.51 250.49 o
-8 2 1 27076.71 27477.22 335.55 o
-6 2 1 66033.91 65961.96 661.38 o
-4 2 1 32803.00 34132.15 353.07 o
-2 2 1 17652.89 17249.89 148.25 o
0 2 1 3341.31 3196.21 34.69 o
2 2 1 4367.70 4706.92 51.41 o
4 2 1 20997.21 22747.94 308.90 o
6 2 1 8856.73 8662.56 150.37 o
8 2 1 40358.32 41541.44 561.82 o
10 2 1 9333.76 9303.85 167.93 o
12 2 1 6574.54 6682.31 112.84 o
14 2 1 5315.83 5229.33 96.80 o
16 2 1 7607.01 7836.24 131.05 o
18 2 1 5592.22 5315.34 122.78 o
20 2 1 5304.86 5226.59 108.53 o
22 2 1 3491.93 3430.58 110.24 o
-21 3 1 5846.55 5859.70 92.29 o
-19 3 1 6985.71 7452.76 102.40 o
-17 3 1 8228.75 8434.52 150.14 o
-15 3 1 15564.03 15599.89 235.43 o
-13 3 1 14488.24 14414.00 196.86 o
-11 3 1 6039.09 5862.36 150.59 o
-9 3 1 9516.74 9359.74 120.39 o
-7 3 1 12420.78 12133.55 144.77 o
-5 3 1 21571.16 21722.35 246.29 o
-3 3 1 18997.15 19174.84 176.32 o
-1 3 1 33535.63 35069.49 395.33 o
1 3 1 16810.99 17494.58 183.74 o
3 3 1 15253.23 15312.51 177.22 o
5 3 1 10204.16 10161.19 174.21 o
7 3 1 11131.30 11116.04 164.85 o
9 3 1 22208.78 21875.45 367.89 o
11 3 1 23536.30 23938.01 394.12 o
13 3 1 24023.19 23997.31 341.61 o
15 3 1 10371.63 10737.08 196.06 o
17 3 1 10973.26 10500.55 257.00 o
19 3 1 3941.10 3996.44 86.83 o
-18 4 1 6524.19 6732.11 130.60 o
-16 4 1 8451.41 8534.97 148.64 o
-14 4 1 7211.62 7032.90 126.87 o
-12 4 1 17712.12 17742.27 262.62 o
-10 4 1 12983.98 13064.70 199.81 o
-8 4 1 11541.81 11647.46 161.19 o
-6 4 1 10289.70 10439.70 146.77 o
-4 4 1 20502.60 20397.65 259.65 o
-2 4 1 11751.18 11788.92 143.68 o
0 4 1 21092.92 21030.40 222.83 o
2 4 1 17067.16 16893.69 198.35 o
4 4 1 13350.98 13336.82 180.11 o
6 4 1 14778.33 14693.37 221.85 o
8 4 1 16790.34 16767.14 250.25 o
10 4 1 12867.99 12662.18 198.62 o
12 4 1 9898.90 10286.28 189.21 o
14 4 1 8725.56 8725.25 147.07 o
16 4 1 10706.89 10587.61 176.26 o
-13 5 1 5220.47 5265.79 196.57 o
-11 5 1 6774.77 6840.33 124.74 o
-9 5 1 15499.01 15360.26 260.32 o
-7 5 1 10123.78 10220.26 151.02 o
-5 5 1 9280.30 9691.45 141.29 o
-3 5 1 8593.99 8725.93 143.98 o
-1 5 1 10076.70 10060.40 153.84 o
1 5 1 9448.89 9610.08 172.70 o
3 5 1 11114.03 11135.81 180.07 o
5 5 1 15082.32 14635.43 226.14 o
7 5 1 7681.63 7690.86 137.67 o
9 5 1 1969.28 2086.00 75.36 o
11 5 1 6297.33 6434.54 202.39 o
-26 0 2 10722.88 11082.25 375.11 o
-24 0 2 10939.34 11207.71 257.59 o
-22 0 2 8505.47 8500.91 202.35 o
-20 0 2 10089.06 9980.09 177.90 o
-18 0 2 12441.40 12387.42 212.15 o
-16 0 2 40912.77 41981.50 658.52 o
-14 0 2 51728.59 51309.81 968.81 o
-12 0 2 76837.09 77977.81 1576.80 o
-10 0 2 73065.02 71587.85 1347.69 o
-8 0 2 12467.49 13991.09 227.98 o
-6 0 2 30995.05 31183.04 418.19 o
-4 0 2 120151.94 91772.77 2417.77 o
0 0 2 7165.20 8089.39 235.51 o
2 0 2 44545.89 43109.95 904.79 o
4 0 2 9681.70 9971.40 142.22 o
6 0 2 17130.54 16703.70 232.48 o
8 0 2 45235.21 46930.63 1841.34 o
10 0 2 34484.77 35259.02 956.28 o
12 0 2 45491.25 46814.18 1265.86 o
14 0 2 994.35 1103.48 106.36 o
16 0 2 16569.89 16472.38 489.06 o
18 0 2 5265.76 5409.12 209.87 o
20 0 2 11051.87 10692.90 356.11 o
22 0 2 6285.82 6250.50 254.50 o
-25 1 2 4901.33 4702.09 160.10 o
-23 1 2 7443.27 7582.32 157.83 o
-21 1 2 8906.44 8922.32 170.12 o
-19 1 2 19274.27 19185.85 353.66 o
-17 1 2 9539.77 9861.59 123.78 o
-15 1 2 16905.54 16877.49 213.55 o
-13 1 2 25088.62 25352.52 311.18 o
-11 1 2 29238.10 28349.20 343.83 o
-9 1 2 82320.53 81246.52 1157.98 o
-7 1 2 46703.59 47323.33 493.67 o
-5 1 2 59736.76 59449.79 588.35 o
-3 1 2 256.19 337.93 14.08 o
-1 1 2 24346.07 25678.58 308.53 o
1 1 2 49900.79 49693.98 568.21 o
3 1 2 50236.31 50389.21 520.85 o
5 1 2 54514.43 55576.68 844.61 o
7 1 2 37497.12 39439.31 471.97 o
9 1 2 20644.86 21053.06 259.75 o
11 1 2 12291.05 12566.37 149.04 o
13 1 2 22524.33 22955.61 261.78 o
15 1 2 12661.83 13109.60 158.30 o
17 1 2 8371.64 8310.48 199.94 o
19 1 2 9199.51 9106.38 236.46 o
21 1 2 7251.88 7003.55 188.55 o
-24 2 2 4577.82 4644.84 91.15 o
-22 2 2 9787.31 9675.45 163.51 o
-20 2 2 681.84 965.69 65.71 o
-18 2 2 3235.02 3283.85 78.73 o
-16 2 2 4693.57 4754.14 93.72 o
-14 2 2 9064.01 9095.14 166.57 o
-12 2 2 12804.61 12793.92 187.79 o
-10 2 2 14670.19 14797.27 189.78 o
-8 2 2 16407.09 16600.19 175.02 o
-6 2 2 6108.35 5980.85 69.32 o
-4 2 2 6958.55 6813.33 67.98 o
-2 2 2 23289.04 23731.69 202.01 o
0 2 2 19794.61 20671.47 253.33 o
2 2 2 25172.87 26770.66 367.27 o
4 2 2 27506.14 28304.14 445.91 o
6 2 2 34469.96 35312.82 476.99 o
8 2 2 19744.40 19762.57 278.61 o
10 2 2 14368.55 14355.04 242.19 o
12 2 2 6736.88 6775.63 133.80 o
14 2 2 9734.68 9562.65 174.91 o
16 2 2 10419.03 10276.46 192.26 o
18 2 2 6881.52 6851.57 151.57 o
20 2 2 4147.96 4193.38 113.25 o
-21 3 2 1074.91 1280.72 51.33 o
-19 3 2 2490.69 2682.81 71.59 o
-17 3 2 1348.65 1431.39 51.43 o
-15 3 2 1472.49 1449.72 52.81 o
-13 3 2 1264.26 1305.31 46.35 o
-11 3 2 2980.81 3007.83 59.43 o
-9 3 2 1990.29 1961.50 42.38 o
-7 3 2 5845.30 5842.14 80.05 o
-5 3 2 5462.63 5513.16 72.07 o
-3 3 2 1054.46 888.63 21.26 o
-1 3 2 8600.30 8610.25 90.00 o
1 3 2 2527.82 2567.77 49.12 o
3 3 2 7073.17 7052.25 131.72 o
5 3 2 3812.41 3693.13 86.36 o
7 3 2 2487.20 2420.39 65.30 o
9 3 2 4031.02 4131.74 80.91 o
11 3 2 3451.84 3523.36 76.82 o
13 3 2 2612.70 2599.14 67.09 o
15 3 2 2581.59 2575.07 71.74 o
17 3 2 365.99 409.89 58.68 o
19 3 2 1569.77 1751.95 66.39 o
-18 4 2 220.60 340.11 69.08 o
-16 4 2 364.47 412.86 37.26 o
-14 4 2 788.27 752.31 42.02 o
-12 4 2 677.52 708.84 41.44 o
-10 4 2 322.77 290.99 35.66 o
-8 4 2 594.60 559.02 30.22 o
-6 4 2 1284.53 1234.41 74.82 o
-4 4 2 1360.44 1295.24 33.84 o
-2 4 2 136.37 112.40 16.49 o
0 4 2 1615.41 1628.06 34.14 o
2 4 2 317.39 393.47 32.12 o
4 4 2 79.96 65.56 27.96 o
6 4 2 6.56 20.33 25.04 o
8 4 2 11.38 2.76 26.35 o
10 4 2 12.63 -8.76 35.27 o
12 4 2 109.21 94.95 40.70 o
14 4 2 562.03 479.92 78.20 o
16 4 2 3.01 -20.02 44.29 o
-15 5 2 222.03 269.44 73.93 o
-13 5 2 1132.61 946.52 73.97 o
-11 5 2 1562.58 1512.48 78.41 o
-9 5 2 672.83 565.88 42.74 o
-7 5 2 1739.09 1748.64 50.54 o
-5 5 2 531.68 602.34 37.31 o
-3 5 2 356.60 397.30 24.97 o
-1 5 2 1506.36 1609.72 55.63 o
1 5 2 919.24 900.79 97.34 o
3 5 2 4622.10 4407.80 142.69 o
5 5 2 723.17 819.25 55.49 o
7 5 2 3518.60 3809.53 93.15 o
9 5 2 22.07 61.38 37.37 o
11 5 2 1530.39 1536.35 78.17 o
-25 1 3 1351.62 1387.62 73.00 o
-23 1 3 3384.16 3219.26 152.89 o
-21 1 3 2260.04 2061.68 76.71 o
-19 1 3 3329.36 3374.68 66.98 o
-17 1 3 3413.52 3322.62 74.36 o
-15 1 3 7430.35 7537.56 106.30 o
-13 1 3 14084.60 15053.40 172.94 o
-11 1 3 8203.29 8594.44 103.29 o
-9 1 3 3477.96 3382.86 47.38 o
-7 1 3 51.73 34.75 7.76 o
-5 1 3 16125.86 16575.69 220.83 o
-3 1 3 15356.34 16624.60 241.40 o
-1 1 3 22203.30 23329.83 437.93 o
1 1 3 279.94 411.82 13.23 o
3 1 3 12614.83 13009.34 137.20 o
5 1 3 190.96 307.48 17.15 o
7 1 3 3275.41 3302.25 53.22 o
9 1 3 2839.31 2978.82 52.61 o
11 1 3 2125.50 2159.19 57.09 o
13 1 3 318.05 346.21 38.91 o
15 1 3 3619.22 3581.10 94.69 o
17 1 3 1987.90 1855.39 96.86 o
19 1 3 1508.02 1453.87 99.36 o
21 1 3 2349.45 2395.37 117.06 o
-24 2 3 3440.05 3523.61 76.07 o
-22 2 3 8957.52 8973.77 165.27 o
-20 2 3 8013.89 7596.21 131.36 o
-18 2 3 7951.54 7830.65 120.66 o
-16 2 3 10117.64 10042.86 141.25 o
-14 2 3 6855.40 7146.01 116.52 o
-12 2 3 10961.25 11080.53 148.09 o
-10 2 3 15188.93 15442.73 196.95 o
-8 2 3 22580.82 22990.81 283.38 o
-6 2 3 26391.60 25938.06 313.95 o
-4 2 3 4314.95 4266.25 61.04 o
-2 2 3 14718.14 15258.79 315.19 o
0 2 3 7630.82 7732.85 114.88 o
2 2 3 15598.08 16041.45 225.03 o
4 2 3 26343.15 26967.76 428.74 o
6 2 3 33394.16 34410.52 467.34 o
8 2 3 4984.28 4864.85 89.15 o
10 2 3 6814.61 6843.46 133.82 o
12 2 3 3524.04 3343.87 87.73 o
14 2 3 4859.49 4834.52 107.97 o
16 2 3 8048.35 7904.25 155.04 o
18 2 3 5487.41 5376.81 201.01 o
-23 3 3 3699.43 3884.62 120.35 o
-21 3 3 3655.99 3792.48 84.19 o
-19 3 3 13638.20 13762.03 216.16 o
-17 3 3 15635.50 15531.03 233.48 o
-15 3 3 11755.33 11849.65 165.03 o
-13 3 3 5757.13 5572.14 84.59 o
-11 3 3 17000.66 17030.09 202.18 o
-9 3 3 7489.63 7186.69 111.72 o
-7 3 3 20096.85 19743.69 251.42 o
-5 3 3 27882.85 28029.95 315.55 o
-3 3 3 50342.58 50272.64 548.94 o
-1 3 3 27974.52 27913.33 381.76 o
1 3 3 24303.24 23739.36 382.42 o
3 3 3 18665.07 18358.50 304.17 o
5 3 3 17553.97 16943.83 289.54 o
7 3 3 20198.06 20359.93 340.38 o
9 3 3 22108.24 22145.18 316.86 o
11 3 3 17933.93 18186.74 266.43 o
13 3 3 8086.88 8172.23 158.65 o
15 3 3 5387.72 5135.43 107.70 o
17 3 3 2942.33 3019.73 89.92 o
-20 4 3 5946.07 6090.70 120.91 o
-18 4 3 8595.30 8426.08 133.90 o
-16 4 3 9262.91 9219.76 139.14 o
-14 4 3 20435.79 20597.38 246.76 o
-12 4 3 5607.77 5677.19 111.94 o
-10 4 3 12562.93 12751.67 198.59 o
-8 4 3 12588.32 12879.04 200.38 o
-6 4 3 17711.65 17081.67 257.93 o
-4 4 3 16738.20 16673.11 179.72 o
-2 4 3 22396.91 23059.95 556.00 o
0 4 3 17859.30 17682.39 259.95 o
2 4 3 14998.15 14458.42 222.96 o
4 4 3 19444.38 18995.41 279.60 o
6 4 3 16435.04 16338.14 283.80 o
8 4 3 13173.20 13228.77 240.55 o
10 4 3 6424.68 6434.73 237.41 o
12 4 3 9522.48 9417.10 284.42 o
14 4 3 6946.44 7100.14 161.70 o
-15 5 3 6256.13 6560.70 201.29 o
-13 5 3 11214.45 11471.96 192.23 o
-11 5 3 10477.45 10433.95 176.32 o
-9 5 3 8462.02 8432.52 175.35 o
-7 5 3 5693.11 5674.25 109.67 o
-5 5 3 5588.51 5523.07 105.43 o
-3 5 3 4826.21 4655.09 209.72 o
-1 5 3 8375.59 8391.94 426.86 o
1 5 3 14914.57 14926.73 314.93 o
3 5 3 13439.42 13767.14 218.12 o
5 5 3 2606.74 2725.14 81.42 o
7 5 3 4964.29 4977.05 153.63 o
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-26 0 4 11942.13 11874.78 276.65 o
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-14 0 4 57563.47 58555.47 1584.94 o
-12 0 4 7910.55 7103.27 241.21 o
-10 0 4 11280.37 10902.41 159.79 o
-8 0 4 24944.26 24636.21 336.14 o
-6 0 4 46888.32 47198.67 649.18 o
-4 0 4 31454.44 31659.66 491.35 o
-2 0 4 62327.23 60247.16 977.59 o
0 0 4 45688.34 43461.36 706.33 o
2 0 4 30028.15 28379.53 609.95 o
4 0 4 20741.27 19717.90 388.97 o
6 0 4 36822.18 37528.58 721.11 o
8 0 4 26467.23 26715.15 735.02 o
10 0 4 17322.04 17549.26 504.26 o
12 0 4 12197.29 12032.83 371.31 o
14 0 4 42343.88 42401.22 1166.15 o
16 0 4 9552.91 9469.77 317.18 o
20 0 4 9130.89 8892.39 322.88 o
-27 1 4 4142.96 4023.90 99.56 o
-25 1 4 6220.80 6497.69 129.35 o
-23 1 4 16086.66 16127.91 356.53 o
-21 1 4 15888.44 15894.07 354.53 o
-19 1 4 15508.54 15422.52 272.27 o
-17 1 4 13066.72 13145.88 234.99 o
-15 1 4 14570.34 14163.59 239.83 o
-13 1 4 18074.96 18092.03 206.20 o
-11 1 4 50466.25 49919.04 543.52 o
-9 1 4 38245.70 38451.46 588.02 o
-7 1 4 40664.25 40636.65 396.66 o
-5 1 4 3054.78 3101.37 56.89 o
-3 1 4 78620.01 76620.44 1172.43 o
-1 1 4 38236.46 38906.98 432.69 o
1 1 4 56349.21 56226.09 1089.36 o
3 1 4 60861.05 62749.77 978.73 o
5 1 4 13260.35 13192.83 228.34 o
7 1 4 15305.36 15476.84 257.62 o
9 1 4 9281.63 8887.74 172.08 o
11 1 4 23780.74 23577.36 387.64 o
13 1 4 12349.47 12212.13 309.60 o
15 1 4 16741.35 16479.41 288.07 o
17 1 4 12203.96 12156.04 277.08 o
19 1 4 8827.23 9017.74 226.54 o
-26 2 4 2955.12 3024.12 139.40 o
-24 2 4 4672.60 4789.28 100.61 o
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