#------------------------------------------------------------------------------
#$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $
#$Revision: 288434 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022977.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_2022977
_cell_angle_alpha                90.000
_cell_angle_beta                 90.089
_cell_angle_gamma                90.000
_cell_length_a                   8.2970
_cell_length_b                   13.6959
_cell_length_c                   14.6444
_exptl_crystal_F_000             1048.00
_reflns_d_resolution_high        0.6926
_cod_data_source_file            yz20448bsup14.hkl
_cod_data_source_block           8b
_shelx_title                     ' Kauz in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            432.14
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 1030.38 1182.97 43.80 o
2 0 0 129129.95 126695.48 639.63 o
3 0 0 8585.00 9321.81 103.73 o
4 0 0 31102.71 32500.25 290.15 o
5 0 0 86.37 153.69 23.21 o
6 0 0 5903.73 6006.35 116.77 o
7 0 0 4128.17 4539.16 113.91 o
8 0 0 20646.56 21247.24 390.85 o
9 0 0 19272.47 20462.39 435.74 o
10 0 0 11031.15 11074.49 405.40 o
11 0 0 8676.78 9331.71 393.79 o
1 1 0 103514.51 102354.04 369.62 o
2 1 0 1001.40 1130.06 16.06 o
3 1 0 15738.51 15965.42 99.71 o
4 1 0 667.47 740.48 24.61 o
5 1 0 3535.20 3827.02 60.83 o
6 1 0 1342.60 1333.24 40.43 o
7 1 0 5125.45 5177.19 78.71 o
8 1 0 10575.42 11292.49 200.41 o
9 1 0 6539.84 6969.57 182.99 o
10 1 0 11358.75 11755.92 295.18 o
11 1 0 2692.11 2891.24 159.61 o
0 2 0 21363.71 22380.86 175.17 o
1 2 0 743.91 882.85 17.18 o
2 2 0 60336.19 61806.73 242.15 o
3 2 0 12248.84 12823.27 90.12 o
4 2 0 5672.95 5609.23 69.78 o
5 2 0 2781.57 2690.51 47.87 o
6 2 0 772.22 899.18 39.55 o
7 2 0 9146.00 9177.12 125.82 o
8 2 0 66.38 132.93 34.19 o
9 2 0 6056.73 6186.56 172.37 o
10 2 0 1546.02 1670.13 102.66 o
11 2 0 1855.53 1956.13 135.61 o
1 3 0 13921.37 14415.69 85.37 o
2 3 0 29783.41 30644.67 150.98 o
3 3 0 13788.67 14254.45 107.78 o
4 3 0 3850.97 3676.92 54.29 o
5 3 0 1123.98 1205.36 37.16 o
6 3 0 4320.10 4573.28 78.70 o
7 3 0 2680.98 2790.20 71.40 o
8 3 0 2733.38 2771.10 81.16 o
9 3 0 8.29 -2.49 49.07 o
10 3 0 4.58 -0.89 50.12 o
11 3 0 1820.11 2040.84 154.43 o
0 4 0 2438.25 2473.19 58.96 o
1 4 0 25209.32 25957.79 157.75 o
2 4 0 41.06 92.14 12.25 o
3 4 0 24128.64 25229.03 166.26 o
4 4 0 137.21 179.04 21.31 o
5 4 0 2657.28 2884.02 65.96 o
6 4 0 5132.26 5193.96 88.34 o
7 4 0 2313.40 2192.97 68.65 o
8 4 0 3353.05 3319.28 106.65 o
9 4 0 7.61 32.21 39.96 o
10 4 0 62.38 47.88 53.52 o
11 4 0 414.00 748.58 127.21 o
1 5 0 33479.76 34458.14 246.62 o
2 5 0 5114.34 4950.81 61.88 o
3 5 0 38743.34 38411.61 232.71 o
4 5 0 14002.06 14288.65 141.12 o
5 5 0 54488.88 54013.19 380.19 o
6 5 0 4002.03 4065.69 84.40 o
7 5 0 14170.06 14161.62 176.00 o
8 5 0 675.04 676.94 54.20 o
9 5 0 5435.93 5547.77 151.39 o
10 5 0 870.31 929.70 90.76 o
11 5 0 577.16 693.12 190.69 o
0 6 0 430.05 519.09 60.38 o
1 6 0 344.44 420.42 25.34 o
2 6 0 18729.28 18375.37 141.38 o
3 6 0 2862.09 2960.33 56.44 o
4 6 0 71167.94 70164.52 416.93 o
5 6 0 15928.30 16469.73 210.94 o
6 6 0 31105.14 31031.75 275.63 o
7 6 0 8118.38 8235.91 132.83 o
8 6 0 3994.41 3948.03 113.62 o
9 6 0 679.18 628.00 85.35 o
10 6 0 1024.21 1022.37 100.72 o
11 6 0 1021.64 1505.68 300.97 o
1 7 0 9223.51 9500.99 128.87 o
2 7 0 2086.86 2292.45 48.57 o
3 7 0 51021.66 50699.14 355.94 o
4 7 0 10457.12 10436.05 125.87 o
5 7 0 42632.96 42373.75 336.95 o
6 7 0 17278.87 17188.42 197.18 o
7 7 0 10921.39 10942.32 170.07 o
8 7 0 2622.94 2575.35 102.19 o
9 7 0 1062.94 1117.18 96.35 o
10 7 0 729.88 806.42 93.49 o
0 8 0 21909.52 22010.33 432.18 o
1 8 0 1656.49 1734.11 57.04 o
2 8 0 26090.08 25756.61 221.72 o
3 8 0 5890.97 5959.30 89.68 o
4 8 0 37164.00 37190.70 293.09 o
5 8 0 3979.68 4047.58 90.78 o
6 8 0 25361.18 25331.94 256.50 o
7 8 0 2606.67 2618.07 92.37 o
8 8 0 10320.34 10529.10 224.07 o
9 8 0 1502.07 1509.21 112.47 o
10 8 0 1483.53 1442.82 174.34 o
1 9 0 11105.43 11204.73 157.71 o
2 9 0 12553.33 12580.50 158.85 o
3 9 0 3556.55 3344.45 73.57 o
4 9 0 2674.14 2657.08 70.23 o
5 9 0 3848.67 3899.57 96.16 o
6 9 0 451.18 504.18 42.61 o
7 9 0 11410.84 10966.19 220.70 o
8 9 0 105.95 19.86 50.21 o
9 9 0 3257.14 3193.38 156.18 o
10 9 0 721.23 901.83 257.89 o
0 10 0 20.85 60.30 50.78 o
1 10 0 5627.14 5929.29 129.71 o
2 10 0 375.33 440.79 37.73 o
3 10 0 6800.37 6994.40 128.77 o
4 10 0 4721.31 4689.78 97.95 o
5 10 0 78.79 109.34 34.60 o
6 10 0 5.90 -12.54 33.63 o
7 10 0 1261.67 1230.01 86.70 o
8 10 0 514.14 514.66 88.52 o
9 10 0 39.56 136.00 67.98 o
10 10 0 106.41 211.12 192.05 o
1 11 0 6503.98 6558.54 164.99 o
2 11 0 194.05 229.13 39.73 o
3 11 0 5635.93 5594.29 120.34 o
4 11 0 7.03 43.14 32.51 o
5 11 0 1845.37 1855.72 72.14 o
6 11 0 2423.70 2349.82 99.65 o
7 11 0 621.30 609.69 79.91 o
8 11 0 2574.91 2627.28 156.94 o
9 11 0 82.84 135.50 92.68 o
0 12 0 24004.40 25098.99 413.91 o
1 12 0 2728.53 2851.68 96.39 o
2 12 0 12650.51 12763.14 200.35 o
3 12 0 1062.15 1155.06 61.79 o
4 12 0 1651.88 1691.90 79.05 o
5 12 0 526.38 507.86 51.37 o
6 12 0 2732.98 2701.30 116.66 o
7 12 0 1508.10 1426.70 119.13 o
8 12 0 4107.12 4278.69 202.64 o
9 12 0 4056.86 4357.16 558.08 o
1 13 0 53548.21 55217.72 573.11 o
2 13 0 5397.19 5271.29 139.93 o
3 13 0 15969.15 16165.08 230.57 o
4 13 0 2163.63 2088.86 89.72 o
5 13 0 7190.63 7126.41 187.85 o
6 13 0 219.68 200.34 72.31 o
7 13 0 11055.92 11367.20 321.86 o
8 13 0 3250.22 3259.46 299.61 o
0 14 0 27507.62 29069.84 566.56 o
1 14 0 117.89 151.62 44.97 o
2 14 0 20961.60 22272.52 331.65 o
3 14 0 2825.49 2918.40 112.51 o
4 14 0 10199.50 10423.95 215.24 o
5 14 0 923.54 902.67 97.02 o
6 14 0 7143.30 7294.78 230.49 o
7 14 0 1865.49 2077.80 147.94 o
1 15 0 3982.40 4188.58 157.67 o
2 15 0 7.96 5.10 53.13 o
3 15 0 9014.47 9484.76 239.06 o
4 15 0 1050.19 1178.71 100.47 o
5 15 0 4900.95 5203.91 217.01 o
6 15 0 3381.14 3772.73 191.29 o
7 15 0 1535.54 1323.83 178.30 o
0 16 0 53.72 -78.75 101.83 o
1 16 0 583.29 602.09 81.21 o
2 16 0 1454.50 1355.06 97.68 o
3 16 0 335.46 244.48 92.78 o
4 16 0 4745.39 4684.75 232.42 o
5 16 0 974.20 1098.96 111.67 o
6 16 0 1742.11 1673.76 185.52 o
1 17 0 386.07 367.82 79.29 o
2 17 0 804.16 770.22 107.89 o
3 17 0 279.41 329.84 86.22 o
4 17 0 10.26 173.18 78.81 o
5 17 0 1718.93 2168.03 260.73 o
0 18 0 5398.20 5506.10 392.90 o
1 18 0 106.64 180.05 88.29 o
2 18 0 7786.43 8001.63 293.96 o
3 18 0 4.82 -28.41 140.48 o
4 18 0 4584.19 4879.65 578.29 o
1 19 0 6562.31 6535.78 778.76 o
2 19 0 899.10 973.75 266.06 o
-11 1 1 29.59 74.28 76.73 o
-10 1 1 4531.19 4692.51 158.93 o
-9 1 1 2308.03 2465.01 106.03 o
-8 1 1 3475.78 3424.35 103.85 o
-7 1 1 3354.91 3497.93 67.07 o
-6 1 1 1264.52 1349.79 41.54 o
-5 1 1 30.50 40.58 16.50 o
-4 1 1 9231.00 9714.26 87.57 o
-2 1 1 46943.46 47835.58 177.82 o
-1 1 1 55583.90 55603.06 210.85 o
1 1 1 67751.62 66480.38 260.23 o
2 1 1 5512.68 6415.84 41.20 o
3 1 1 24550.13 26077.06 145.32 o
4 1 1 627.70 583.30 21.44 o
5 1 1 1674.66 1674.80 37.15 o
6 1 1 5347.61 4960.48 80.41 o
7 1 1 12637.22 13096.14 142.94 o
8 1 1 884.55 812.23 48.50 o
9 1 1 6853.07 6839.43 181.90 o
10 1 1 339.24 411.12 94.92 o
11 1 1 1528.76 1504.31 125.64 o
-11 2 1 4328.80 4748.46 185.53 o
-10 2 1 162.73 279.74 61.53 o
-9 2 1 9802.82 10223.58 200.24 o
-8 2 1 1417.66 1499.09 63.91 o
-7 2 1 8723.85 8612.30 157.77 o
-6 2 1 18.00 95.17 20.57 o
-5 2 1 14498.70 14434.09 139.74 o
-4 2 1 3026.75 3121.36 53.67 o
-3 2 1 60620.40 59567.37 308.11 o
-2 2 1 10227.62 11035.70 63.20 o
-1 2 1 46776.74 46435.01 185.05 o
0 2 1 15690.09 16680.78 99.78 o
1 2 1 9932.77 10121.03 54.56 o
2 2 1 30758.20 31811.68 125.80 o
3 2 1 3091.11 3439.73 37.91 o
4 2 1 2620.65 2712.98 45.97 o
5 2 1 23042.31 22765.24 168.81 o
6 2 1 14973.07 14741.99 139.27 o
7 2 1 4399.51 4474.93 89.97 o
8 2 1 16279.55 16402.97 209.73 o
9 2 1 90.59 91.54 51.60 o
10 2 1 5000.49 4757.87 163.19 o
11 2 1 1624.77 1654.72 169.67 o
-11 3 1 335.27 426.83 81.59 o
-10 3 1 7513.42 7878.44 215.24 o
-9 3 1 8.26 -14.55 41.93 o
-8 3 1 17634.44 17729.38 215.16 o
-7 3 1 911.15 1000.25 46.96 o
-6 3 1 30317.12 30076.11 240.50 o
-5 3 1 36.30 165.20 20.21 o
-4 3 1 51421.14 50755.68 306.60 o
-3 3 1 7623.23 8516.72 74.87 o
-2 3 1 58922.08 58296.89 255.47 o
-1 3 1 17377.48 18254.55 92.41 o
0 3 1 31565.00 31446.24 163.94 o
1 3 1 61652.89 61659.98 277.31 o
2 3 1 13719.51 13622.32 77.18 o
3 3 1 37605.73 38211.05 192.64 o
4 3 1 10311.27 10117.21 87.13 o
5 3 1 19692.20 19691.23 156.93 o
6 3 1 6750.67 6723.05 94.80 o
7 3 1 13206.36 13457.76 168.85 o
8 3 1 693.18 752.38 55.14 o
9 3 1 8014.64 8280.65 180.50 o
10 3 1 21.01 77.88 56.97 o
11 3 1 4172.54 4371.71 202.91 o
-11 4 1 3348.13 3299.98 214.54 o
-10 4 1 46.21 187.66 61.56 o
-9 4 1 7385.42 7529.25 174.03 o
-8 4 1 134.85 182.52 36.46 o
-7 4 1 36307.34 35799.31 308.54 o
-6 4 1 2421.10 2536.84 57.86 o
-5 4 1 48010.46 46986.20 336.82 o
-4 4 1 14305.71 14924.60 140.28 o
-3 4 1 23570.02 23637.94 171.53 o
-2 4 1 10738.42 11587.18 94.78 o
-1 4 1 12767.50 12753.93 97.84 o
0 4 1 18990.22 19557.20 124.94 o
1 4 1 31899.62 31585.96 179.52 o
2 4 1 80313.68 79208.50 343.32 o
3 4 1 29550.04 29198.66 171.49 o
4 4 1 89946.53 87330.36 612.82 o
5 4 1 4072.45 4023.12 73.40 o
6 4 1 29855.16 29524.71 251.74 o
7 4 1 628.38 731.74 44.40 o
8 4 1 8131.90 8230.19 150.72 o
9 4 1 645.36 699.29 61.70 o
10 4 1 6935.82 7248.06 206.68 o
11 4 1 0.89 141.04 126.02 o
-11 5 1 90.53 -59.56 85.84 o
-10 5 1 1138.30 1067.10 99.59 o
-9 5 1 156.48 129.34 45.47 o
-8 5 1 13552.56 13576.37 209.45 o
-7 5 1 9.77 52.65 28.44 o
-6 5 1 39149.13 38728.58 330.95 o
-5 5 1 7827.79 8013.15 114.06 o
-4 5 1 24283.24 24075.24 187.66 o
-3 5 1 9656.26 9919.44 91.02 o
-2 5 1 260.60 556.80 25.56 o
-1 5 1 753.29 780.35 26.72 o
0 5 1 8397.15 8329.43 89.18 o
1 5 1 6799.27 6465.48 79.45 o
2 5 1 33459.29 32517.56 206.69 o
3 5 1 52252.98 50808.09 296.24 o
4 5 1 14822.10 14667.04 135.76 o
5 5 1 42325.18 41960.98 324.57 o
6 5 1 235.24 452.92 34.00 o
7 5 1 4628.61 4622.39 106.97 o
8 5 1 70.80 136.82 38.88 o
9 5 1 856.14 999.85 77.63 o
10 5 1 108.19 142.32 56.66 o
11 5 1 3231.96 4222.87 343.16 o
-11 6 1 17.56 50.16 94.65 o
-10 6 1 1.17 -4.36 69.16 o
-9 6 1 988.84 888.95 80.04 o
-8 6 1 422.93 486.59 77.70 o
-7 6 1 4400.31 4587.75 100.08 o
-6 6 1 8.38 6.24 25.54 o
-5 6 1 12098.34 11904.11 141.68 o
-4 6 1 1001.58 1120.02 36.87 o
-3 6 1 732.21 723.91 28.54 o
-2 6 1 2811.33 2779.56 45.53 o
-1 6 1 2.97 30.15 16.11 o
0 6 1 313.48 379.07 25.83 o
1 6 1 1479.16 1464.37 46.75 o
2 6 1 2708.11 2747.31 50.29 o
3 6 1 4791.46 4640.14 71.12 o
4 6 1 6128.04 6084.82 90.72 o
5 6 1 1665.97 1571.07 43.73 o
6 6 1 472.22 501.93 35.29 o
7 6 1 849.57 815.13 54.66 o
8 6 1 912.44 987.37 66.67 o
9 6 1 18.45 36.69 46.85 o
10 6 1 11.44 38.14 56.60 o
-11 7 1 96.63 79.72 142.48 o
-10 7 1 85.67 139.74 71.33 o
-9 7 1 2765.66 2820.39 143.69 o
-8 7 1 1.43 23.50 41.76 o
-7 7 1 1928.56 2017.71 69.67 o
-6 7 1 14.27 82.43 30.19 o
-5 7 1 277.36 344.72 33.30 o
-4 7 1 144.50 173.14 22.46 o
-3 7 1 6454.57 6209.46 81.27 o
-2 7 1 107.13 170.92 18.00 o
-1 7 1 1186.38 1361.97 49.84 o
0 7 1 11896.42 12192.19 145.72 o
1 7 1 6802.09 6869.96 100.19 o
2 7 1 6169.28 5961.21 89.20 o
3 7 1 757.35 849.05 39.33 o
4 7 1 10.52 32.09 25.18 o
5 7 1 36.81 56.23 18.94 o
6 7 1 3937.96 3996.21 89.07 o
7 7 1 135.38 172.26 36.56 o
8 7 1 175.94 143.51 44.52 o
9 7 1 184.50 233.35 55.14 o
10 7 1 631.44 520.79 134.21 o
-10 8 1 1430.71 1350.09 211.61 o
-9 8 1 2093.34 2205.54 132.13 o
-8 8 1 5241.06 5132.04 164.99 o
-7 8 1 6666.73 6621.96 144.20 o
-6 8 1 841.43 821.16 46.75 o
-5 8 1 10481.39 10133.08 146.90 o
-4 8 1 18116.39 17979.78 183.07 o
-3 8 1 2205.27 2378.77 51.06 o
-2 8 1 15476.05 15668.24 167.88 o
-1 8 1 12271.37 12362.95 169.17 o
0 8 1 530.44 480.18 40.98 o
1 8 1 32857.42 32122.37 281.68 o
2 8 1 1206.07 1405.02 52.53 o
3 8 1 11902.08 11552.44 125.87 o
4 8 1 8323.42 8591.69 119.98 o
5 8 1 2785.23 2949.16 68.85 o
6 8 1 6250.58 6265.13 115.92 o
7 8 1 2939.36 3017.40 95.16 o
8 8 1 1213.61 1177.03 87.03 o
9 8 1 364.23 384.76 72.48 o
10 8 1 1965.48 2432.05 187.51 o
-10 9 1 4379.92 5477.91 526.80 o
-9 9 1 1276.24 1479.07 115.75 o
-8 9 1 7425.17 7030.42 217.42 o
-7 9 1 2.65 86.05 46.47 o
-6 9 1 10325.01 10266.25 159.34 o
-5 9 1 10751.00 10514.74 156.35 o
-4 9 1 10425.47 10161.85 138.52 o
-3 9 1 26466.60 26222.58 223.84 o
-2 9 1 17184.10 16697.92 203.81 o
-1 9 1 11613.66 11533.30 175.19 o
0 9 1 38531.37 38575.59 390.27 o
1 9 1 6587.20 6635.19 139.41 o
2 9 1 34697.63 33978.98 316.05 o
3 9 1 15886.97 15851.24 157.33 o
4 9 1 3077.21 3080.46 75.43 o
5 9 1 27732.71 27444.52 270.25 o
6 9 1 653.23 744.78 51.80 o
7 9 1 19391.56 19017.25 305.56 o
8 9 1 113.76 153.32 58.65 o
9 9 1 10368.01 10212.63 297.28 o
-10 10 1 721.47 1108.84 281.61 o
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-8 10 1 13.69 140.33 61.37 o
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-4 10 1 10045.52 10009.13 155.90 o
-3 10 1 35949.07 34823.04 325.33 o
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-1 10 1 44937.95 44841.14 428.20 o
0 10 1 30617.84 30608.81 326.43 o
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3 10 1 3495.97 3768.93 84.30 o
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5 10 1 1610.66 1614.57 65.07 o
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-8 11 1 3954.52 3569.74 180.13 o
-7 11 1 14.90 95.69 61.60 o
-6 11 1 1064.96 1174.30 75.41 o
-5 11 1 351.30 274.79 42.35 o
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-1 11 1 21417.61 21641.42 277.86 o
0 11 1 33126.39 34163.57 348.17 o
1 11 1 8366.94 8777.72 154.81 o
2 11 1 4147.20 4236.86 106.74 o
3 11 1 189.57 140.38 33.41 o
4 11 1 640.40 620.12 44.07 o
5 11 1 1036.11 1057.13 57.19 o
6 11 1 1697.24 1596.11 81.98 o
7 11 1 12694.82 12490.08 294.18 o
8 11 1 99.01 148.49 67.09 o
9 11 1 10876.46 10566.94 436.60 o
-9 12 1 3431.80 3138.34 301.15 o
-8 12 1 156.01 207.94 79.00 o
-7 12 1 45.18 0.67 70.58 o
-6 12 1 735.59 742.42 69.77 o
-5 12 1 831.76 832.41 65.50 o
-4 12 1 2108.68 2142.66 88.59 o
-3 12 1 12133.10 12183.43 189.51 o
-2 12 1 14210.58 14755.45 216.33 o
-1 12 1 33359.09 33192.34 374.82 o
0 12 1 15808.15 16652.36 230.47 o
1 12 1 6666.85 6754.88 140.32 o
2 12 1 3055.73 3269.07 100.45 o
3 12 1 894.44 926.24 62.85 o
4 12 1 381.63 415.20 45.95 o
5 12 1 22.24 8.51 42.38 o
6 12 1 5441.38 5534.42 174.55 o
7 12 1 654.76 829.05 93.10 o
8 12 1 13084.54 13116.54 324.67 o
9 12 1 4.88 1.18 150.68 o
-8 13 1 1.85 -87.19 87.19 o
-7 13 1 153.94 210.76 76.41 o
-6 13 1 148.11 24.87 57.65 o
-5 13 1 2006.96 1931.93 95.42 o
-4 13 1 53.34 152.92 47.62 o
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-1 13 1 2546.44 2513.36 99.78 o
0 13 1 4968.76 5223.81 126.01 o
1 13 1 19.16 79.19 38.99 o
2 13 1 1668.47 1685.77 86.73 o
3 13 1 105.23 82.32 52.09 o
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