#------------------------------------------------------------------------------
#$Date: 2024-03-23 05:02:31 +0200 (Sat, 23 Mar 2024) $
#$Revision: 290607 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/24/2312437.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_2312437
_cell_angle_alpha                90.000
_cell_angle_beta                 105.390
_cell_angle_gamma                90.000
_cell_length_a                   6.5940
_cell_length_b                   5.3718
_cell_length_c                   8.5241
_exptl_crystal_F_000             308.00
_reflns_d_resolution_high        0.7571
_cod_data_source_file            yh5030KSrY_300K-after.cifsup4.hkl
_cod_data_source_block           KSrY_300K-after.cif
_shelx_title                     ' KSrY_300K-after in P2(1)/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            161.79
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
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 0 409.32 286.33 8.47 o
2 0 0 5920.42 7019.35 133.31 o
3 0 0 1712.88 1256.85 38.91 o
4 0 0 3310.38 3736.91 71.18 o
5 0 0 1119.24 946.20 53.41 o
6 0 0 316.23 285.18 37.61 o
7 0 0 377.27 248.97 41.73 o
8 0 0 28.16 1.38 29.15 o
1 1 0 128.06 189.99 3.54 o
2 1 0 66.51 17.56 2.19 o
3 1 0 2084.99 2471.97 83.13 o
4 1 0 75.93 43.84 5.84 o
5 1 0 6917.29 7917.24 119.13 o
6 1 0 13.47 14.75 11.33 o
7 1 0 4359.14 4735.40 132.86 o
8 1 0 166.97 144.19 20.43 o
0 2 0 17796.66 19896.95 289.15 o
1 2 0 286.03 226.30 4.88 o
2 2 0 19978.74 23354.38 171.65 o
3 2 0 1275.72 1011.81 25.52 o
4 2 0 52.59 54.55 6.78 o
5 2 0 1018.31 947.02 23.33 o
6 2 0 105.05 85.39 9.72 o
7 2 0 289.07 251.15 17.85 o
8 2 0 132.55 104.74 23.76 o
1 3 0 28.06 39.86 4.69 o
2 3 0 91.15 51.81 6.26 o
3 3 0 1249.74 1371.14 112.80 o
4 3 0 35.60 29.83 7.36 o
5 3 0 5360.07 5495.11 117.74 o
6 3 0 1.72 14.28 10.16 o
7 3 0 3481.69 3667.69 332.89 o
0 4 0 18381.97 19947.95 703.14 o
1 4 0 141.61 114.94 10.44 o
2 4 0 3733.81 4025.20 89.55 o
3 4 0 741.75 662.38 61.20 o
4 4 0 1080.39 1043.93 30.45 o
5 4 0 592.70 577.68 25.86 o
6 4 0 92.65 65.12 19.06 o
1 5 0 7.88 15.09 11.08 o
2 5 0 30.50 29.21 10.90 o
3 5 0 721.20 643.02 34.04 o
4 5 0 38.12 55.27 19.18 o
5 5 0 3429.41 3066.33 71.72 o
0 6 0 6045.69 5852.61 173.36 o
1 6 0 62.55 81.36 11.75 o
2 6 0 3758.71 3704.13 59.51 o
3 6 0 315.31 320.14 19.12 o
4 6 0 151.70 144.92 37.39 o
-8 0 1 34.63 7.41 38.09 o
-7 0 1 2444.47 2668.16 115.59 o
-6 0 1 41.37 50.66 14.99 o
-5 0 1 69.77 121.21 14.94 o
-4 0 1 118.20 132.28 13.39 o
-3 0 1 159.11 133.52 13.15 o
-2 0 1 96.04 59.02 6.57 o
-1 0 1 31.02 49.08 9.85 o
1 0 1 3617.90 4389.31 56.11 o
2 0 1 360.30 210.77 7.40 o
3 0 1 14789.41 17407.96 263.68 o
4 0 1 3.42 -5.67 12.15 o
5 0 1 4592.54 5485.34 152.00 o
6 0 1 253.41 193.93 30.75 o
7 0 1 632.66 626.46 40.66 o
8 0 1 474.16 344.57 57.10 o
-8 1 1 5.84 9.15 17.45 o
-7 1 1 799.96 477.14 82.59 o
-6 1 1 1286.19 1026.16 40.77 o
-5 1 1 772.42 612.88 30.54 o
-4 1 1 8997.40 11523.13 513.30 o
-3 1 1 70.86 75.62 4.51 o
-2 1 1 25295.65 28624.67 220.45 o
-1 1 1 440.75 269.95 5.85 o
0 1 1 3820.79 4652.30 55.99 o
1 1 1 1157.79 803.05 16.97 o
2 1 1 12.32 15.67 2.44 o
3 1 1 563.75 499.61 12.41 o
4 1 1 536.68 590.66 15.35 o
5 1 1 25.71 33.95 8.57 o
6 1 1 16.78 36.24 11.29 o
7 1 1 8.29 26.41 13.77 o
8 1 1 1017.90 705.03 96.17 o
-8 2 1 0.36 6.88 17.90 o
-7 2 1 1933.17 1720.54 166.12 o
-6 2 1 16.99 8.33 9.52 o
-5 2 1 111.45 139.61 17.52 o
-4 2 1 4.70 4.80 5.59 o
-3 2 1 137.73 122.52 7.51 o
-2 2 1 486.55 452.86 9.19 o
-1 2 1 6.57 19.38 2.58 o
0 2 1 484.16 276.86 6.65 o
1 2 1 4106.11 4959.13 53.50 o
2 2 1 386.09 306.60 8.14 o
3 2 1 9586.12 10648.84 101.74 o
4 2 1 2.26 3.29 4.35 o
5 2 1 5209.46 5572.99 73.62 o
6 2 1 290.28 270.01 15.72 o
7 2 1 310.96 360.78 29.53 o
-7 3 1 587.82 569.50 25.64 o
-6 3 1 541.98 539.50 28.11 o
-5 3 1 587.27 505.88 19.39 o
-4 3 1 8644.51 9046.99 98.73 o
-3 3 1 36.49 29.97 6.67 o
-2 3 1 9943.43 11310.36 161.25 o
-1 3 1 251.76 164.24 5.72 o
0 3 1 5386.66 6187.29 57.62 o
1 3 1 773.41 619.53 12.52 o
2 3 1 246.29 298.75 10.64 o
3 3 1 389.78 398.28 17.41 o
4 3 1 18.25 21.88 10.53 o
5 3 1 28.14 27.08 13.94 o
6 3 1 38.14 36.44 15.51 o
7 3 1 2.82 28.46 21.23 o
-7 4 1 1771.06 1678.48 209.80 o
-6 4 1 8.00 23.79 20.14 o
-5 4 1 35.90 27.44 13.06 o
-4 4 1 35.12 40.58 11.96 o
-3 4 1 37.77 32.11 12.32 o
-2 4 1 91.20 81.50 9.24 o
-1 4 1 22.07 26.78 5.11 o
0 4 1 459.67 323.83 12.98 o
1 4 1 1863.61 2058.80 52.92 o
2 4 1 165.19 148.91 7.83 o
3 4 1 7335.17 7479.17 151.18 o
4 4 1 3.84 -6.08 11.72 o
5 4 1 2910.55 2776.98 68.30 o
6 4 1 160.55 199.11 24.61 o
-6 5 1 1002.91 851.25 45.93 o
-5 5 1 298.81 321.61 28.82 o
-4 5 1 3034.55 3115.22 77.75 o
-3 5 1 29.83 45.57 11.33 o
-2 5 1 9211.11 9103.34 146.11 o
-1 5 1 138.81 128.12 8.66 o
0 5 1 849.90 932.27 30.76 o
1 5 1 361.47 336.21 18.04 o
2 5 1 192.52 179.79 12.70 o
3 5 1 236.50 254.88 16.09 o
4 5 1 374.51 343.75 24.91 o
5 5 1 32.65 12.19 20.26 o
-4 6 1 6.96 12.07 30.53 o
-3 6 1 41.91 49.02 13.50 o
-2 6 1 88.07 94.51 13.03 o
-1 6 1 25.49 35.35 11.13 o
0 6 1 148.89 156.51 13.34 o
1 6 1 1303.57 1232.80 34.69 o
2 6 1 75.84 92.72 15.62 o
3 6 1 3709.94 3434.32 110.77 o
4 6 1 2.79 1.26 30.44 o
-8 0 2 1627.66 1719.97 98.10 o
-7 0 2 173.77 130.19 39.54 o
-6 0 2 3774.47 4058.00 442.12 o
-5 0 2 26.25 9.74 16.53 o
-4 0 2 12640.57 18952.25 422.14 o
-3 0 2 682.77 467.26 23.75 o
-2 0 2 1099.45 2184.48 131.97 o
-1 0 2 690.96 449.72 13.42 o
0 0 2 109.10 157.21 3.58 o
1 0 2 227.09 257.19 17.64 o
2 0 2 4729.51 5670.10 84.44 o
3 0 2 93.89 44.36 3.64 o
4 0 2 1549.91 1816.83 66.71 o
5 0 2 122.96 118.50 12.36 o
6 0 2 2050.63 2257.58 155.37 o
7 0 2 1.84 14.86 22.54 o
-8 1 2 3.07 12.87 20.27 o
-7 1 2 63.17 54.43 14.43 o
-6 1 2 68.54 60.10 12.37 o
-5 1 2 249.51 289.59 35.24 o
-4 1 2 303.35 231.42 16.78 o
-3 1 2 79.34 117.94 13.34 o
-2 1 2 923.43 589.33 24.02 o
-1 1 2 5970.72 7053.34 57.06 o
0 1 2 212.39 149.90 4.39 o
1 1 2 17362.77 19058.02 183.18 o
2 1 2 49.58 26.73 3.14 o
3 1 2 4505.34 4875.92 74.08 o
4 1 2 641.42 516.01 13.34 o
5 1 2 165.86 166.76 11.09 o
6 1 2 695.88 663.50 24.79 o
7 1 2 32.06 36.39 17.81 o
-8 2 2 550.03 501.56 76.63 o
-7 2 2 145.95 158.30 23.80 o
-6 2 2 6953.89 7222.64 141.65 o
-5 2 2 22.68 13.94 8.26 o
-4 2 2 3463.32 4027.74 231.09 o
-3 2 2 431.54 330.74 11.96 o
-2 2 2 2228.81 2577.42 20.03 o
-1 2 2 709.88 518.62 8.47 o
0 2 2 4691.42 6113.19 65.64 o
1 2 2 97.41 110.17 4.17 o
2 2 2 20.29 32.72 4.26 o
3 2 2 47.87 17.83 11.30 o
4 2 2 26.66 44.25 10.23 o
5 2 2 97.73 129.24 12.35 o
6 2 2 4395.36 4325.75 293.96 o
7 2 2 2.98 5.18 16.74 o
-7 3 2 72.39 66.40 18.63 o
-6 3 2 18.98 20.42 9.62 o
-5 3 2 90.44 108.22 8.87 o
-4 3 2 405.05 397.80 22.88 o
-3 3 2 60.25 71.44 6.29 o
-2 3 2 404.46 299.23 6.88 o
-1 3 2 4703.48 5454.17 53.17 o
0 3 2 258.08 226.93 5.94 o
1 3 2 10115.82 11529.26 122.54 o
2 3 2 86.75 67.76 6.74 o
3 3 2 3592.39 4020.08 53.43 o
4 3 2 453.77 457.53 24.49 o
5 3 2 123.27 122.65 16.90 o
6 3 2 552.27 583.01 29.40 o
7 3 2 18.91 17.43 39.17 o
-7 4 2 122.16 115.26 34.32 o
-6 4 2 2884.81 2609.00 75.14 o
-5 4 2 10.70 15.02 10.04 o
-4 4 2 5826.99 5899.83 206.64 o
-3 4 2 239.54 214.00 11.86 o
-2 4 2 38.47 79.79 8.04 o
-1 4 2 317.12 276.31 9.64 o
0 4 2 4.78 5.17 6.14 o
1 4 2 91.89 100.41 8.84 o
2 4 2 777.49 839.76 18.64 o
3 4 2 26.28 28.83 12.68 o
4 4 2 632.75 598.79 28.74 o
5 4 2 43.75 68.84 18.70 o
6 4 2 1718.25 1397.11 52.02 o
-6 5 2 95.42 55.92 32.44 o
-5 5 2 84.37 66.61 16.91 o
-4 5 2 96.73 96.81 13.96 o
-3 5 2 149.40 170.67 13.63 o
-2 5 2 427.94 411.50 16.36 o
-1 5 2 2424.92 2639.99 50.19 o
0 5 2 40.49 47.04 8.14 o
1 5 2 6524.76 7156.40 105.21 o
2 5 2 22.84 26.21 10.14 o
3 5 2 2054.69 2062.49 43.13 o
4 5 2 299.13 337.39 27.21 o
5 5 2 136.00 114.63 22.82 o
-3 6 2 93.77 121.52 15.19 o
-2 6 2 423.82 455.65 34.48 o
-1 6 2 139.96 155.43 15.68 o
0 6 2 237.42 276.91 20.85 o
1 6 2 45.65 63.75 13.76 o
2 6 2 11.71 18.41 11.24 o
3 6 2 3.21 12.91 15.87 o
-8 0 3 329.07 328.30 101.49 o
-7 0 3 4.01 8.07 19.36 o
-6 0 3 244.33 230.57 33.35 o
-5 0 3 1223.36 1517.42 73.48 o
-4 0 3 1435.62 1975.69 49.68 o
-3 0 3 10436.37 16862.09 217.71 o
-2 0 3 52.27 62.39 9.01 o
-1 0 3 26174.88 29528.27 264.92 o
0 0 3 56.64 17.33 1.84 o
1 0 3 3921.66 4746.19 91.95 o
2 0 3 2064.70 1829.82 109.38 o
3 0 3 404.00 424.83 23.35 o
4 0 3 919.92 823.52 16.08 o
5 0 3 108.97 108.50 9.64 o
6 0 3 359.46 294.15 25.74 o
7 0 3 113.63 81.24 24.52 o
-8 1 3 3248.28 3634.46 94.91 o
-7 1 3 13.50 18.60 13.46 o
-6 1 3 2969.64 3334.35 248.48 o
-5 1 3 157.34 105.22 16.56 o
-4 1 3 13.73 19.64 8.96 o
-3 1 3 85.46 51.47 5.72 o
-2 1 3 111.56 134.96 4.27 o
-1 1 3 2.58 4.36 1.01 o
0 1 3 5.27 12.76 1.61 o
1 1 3 297.19 177.91 5.96 o
2 1 3 4678.42 5697.03 76.60 o
3 1 3 91.28 67.90 6.68 o
4 1 3 8033.66 8919.42 93.75 o
5 1 3 43.98 41.75 7.25 o
6 1 3 3931.76 3923.52 77.55 o
7 1 3 328.31 385.12 33.32 o
-8 2 3 67.82 58.80 42.51 o
-7 2 3 4.07 5.48 15.27 o
-6 2 3 745.46 588.56 24.92 o
-5 2 3 928.61 1151.97 49.81 o
-4 2 3 258.50 183.66 8.30 o
-3 2 3 9780.96 10900.96 89.23 o
-2 2 3 317.82 310.82 9.21 o
-1 2 3 15160.39 17052.07 122.83 o
0 2 3 777.43 604.60 7.64 o
1 2 3 5411.45 6101.09 62.32 o
2 2 3 787.88 626.74 18.37 o
3 2 3 14.56 21.21 6.64 o
4 2 3 1163.69 1228.65 45.55 o
5 2 3 6.04 5.61 14.65 o
6 2 3 241.08 166.04 37.88 o
7 2 3 6.01 42.24 45.82 o
-7 3 3 18.36 28.51 13.97 o
-6 3 3 1750.85 1892.36 57.25 o
-5 3 3 64.26 61.58 8.66 o
-4 3 3 181.41 177.25 10.70 o
-3 3 3 105.59 91.76 5.97 o
-2 3 3 545.97 586.39 14.95 o
-1 3 3 13.98 9.31 2.63 o
0 3 3 374.47 455.70 8.43 o
1 3 3 155.67 97.61 5.93 o
2 3 3 1659.94 1944.79 35.41 o
3 3 3 79.80 68.44 36.39 o
4 3 3 7953.05 7633.86 128.84 o
5 3 3 36.27 51.29 15.51 o
6 3 3 2375.89 2388.70 81.44 o
-7 4 3 8.20 40.89 47.56 o
-6 4 3 181.59 208.65 15.32 o
-5 4 3 697.27 660.31 23.54 o
-4 4 3 582.23 529.87 29.80 o
-3 4 3 5575.60 5994.14 108.50 o
-2 4 3 1.23 3.36 5.92 o
-1 4 3 9776.42 10351.40 147.04 o
0 4 3 98.68 76.82 6.16 o
1 4 3 2055.88 2172.60 68.70 o
2 4 3 844.56 765.35 18.34 o
3 4 3 171.04 158.15 18.67 o
4 4 3 571.62 585.18 30.75 o
5 4 3 56.93 58.83 20.43 o
-5 5 3 53.10 83.81 15.32 o
-4 5 3 27.97 29.99 13.35 o
-3 5 3 17.22 24.67 10.02 o
-2 5 3 10.39 17.34 8.83 o
-1 5 3 2.81 4.08 7.30 o
0 5 3 37.58 47.00 8.84 o
1 5 3 110.23 110.83 10.86 o
2 5 3 2492.81 2324.08 44.62 o
3 5 3 23.48 39.01 14.55 o
4 5 3 3253.72 3164.11 79.11 o
-4 6 3 129.69 148.39 38.45 o
-3 6 3 3266.32 3307.57 125.93 o
-2 6 3 31.70 48.01 12.87 o
-1 6 3 5080.19 4899.88 102.42 o
0 6 3 120.72 144.57 11.92 o
1 6 3 1528.22 1414.45 33.66 o
2 6 3 287.52 294.01 19.34 o
3 6 3 19.73 12.03 22.21 o
-8 0 4 1259.81 1295.76 74.09 o
-7 0 4 7.00 9.10 29.09 o
-6 0 4 178.26 232.60 25.70 o
-5 0 4 119.91 189.56 16.53 o
-4 0 4 415.88 596.00 28.26 o
-3 0 4 245.47 263.03 17.18 o
-2 0 4 113.47 132.79 7.32 o
-1 0 4 1263.61 1052.02 29.84 o
0 0 4 18660.71 22251.29 290.25 o
1 0 4 33.16 18.69 3.18 o
2 0 4 9791.74 11334.78 150.17 o
3 0 4 88.17 71.29 22.82 o
4 0 4 6148.72 6001.37 649.05 o
5 0 4 744.18 729.06 34.16 o
6 0 4 32.17 28.02 16.72 o
-8 1 4 441.12 849.31 80.04 o
-7 1 4 1803.04 2158.33 142.24 o
-6 1 4 574.00 657.39 105.29 o
-5 1 4 8825.06 10274.29 522.99 o
-4 1 4 10.25 20.21 10.08 o
-3 1 4 13061.13 13730.46 453.63 o
-2 1 4 203.07 109.15 3.51 o
-1 1 4 2406.07 2709.93 28.57 o
0 1 4 1117.07 966.39 17.60 o
1 1 4 34.94 37.85 4.28 o
2 1 4 609.98 642.75 24.04 o
3 1 4 3.82 6.00 4.33 o
4 1 4 60.58 60.54 9.77 o
5 1 4 434.80 416.06 30.67 o
6 1 4 3.48 16.50 30.73 o
-8 2 4 467.67 667.58 53.42 o
-7 2 4 22.23 -9.59 13.87 o
-6 2 4 70.18 49.57 12.32 o
-5 2 4 29.00 24.78 7.46 o
-4 2 4 223.41 204.88 11.86 o
-3 2 4 469.62 394.03 13.21 o
-2 2 4 3118.46 3571.22 29.30 o
-1 2 4 460.20 328.07 5.59 o
0 2 4 4746.22 5234.75 55.47 o
1 2 4 203.96 173.94 5.57 o
2 2 4 16695.97 17102.05 394.50 o
3 2 4 202.10 169.51 11.25 o
4 2 4 2190.50 2144.66 76.54 o
5 2 4 491.89 552.85 40.93 o
6 2 4 452.34 487.15 51.62 o
-7 3 4 1311.85 1124.69 49.46 o
-6 3 4 264.73 237.03 21.96 o
-5 3 4 7239.19 7003.50 120.81 o
-4 3 4 66.42 75.46 6.54 o
-3 3 4 7916.74 8455.51 231.26 o
-2 3 4 364.25 289.26 14.37 o
-1 3 4 1926.71 2044.79 22.51 o
0 3 4 445.84 372.30 9.46 o
1 3 4 3.18 10.09 4.24 o
2 3 4 621.48 627.27 23.80 o
3 3 4 5.18 5.43 12.60 o
4 3 4 22.30 51.79 29.59 o
5 3 4 284.80 230.75 36.15 o
-7 4 4 19.85 19.22 42.86 o
-6 4 4 61.94 81.52 15.88 o
-5 4 4 42.73 31.68 9.97 o
-4 4 4 90.36 77.01 10.40 o
-3 4 4 149.54 134.01 10.54 o
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1 4 4 34.03 41.49 8.57 o
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3 4 4 50.97 40.96 44.13 o
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1 5 4 29.62 32.41 9.39 o
2 5 4 189.20 187.13 13.33 o
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1 6 4 37.72 43.91 13.15 o
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-8 0 5 345.09 447.49 36.66 o
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-5 0 5 4096.54 5236.40 115.87 o
-4 0 5 23.39 24.32 6.27 o
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-2 0 5 1134.98 928.00 27.80 o
-1 0 5 121.75 119.12 5.50 o
0 0 5 8.31 2.51 2.79 o
1 0 5 263.58 296.70 8.64 o
2 0 5 13.96 6.68 5.48 o
3 0 5 1744.02 1966.98 56.83 o
4 0 5 275.27 294.84 26.44 o
5 0 5 2844.72 2923.21 133.05 o
6 0 5 3.33 -13.61 35.74 o
-8 1 5 74.61 85.40 27.23 o
-7 1 5 155.36 189.62 19.94 o
-6 1 5 23.50 33.44 13.06 o
-5 1 5 385.97 460.49 36.04 o
-4 1 5 1143.95 1056.93 74.45 o
-3 1 5 744.84 469.12 18.17 o
-2 1 5 9285.78 10153.47 131.91 o
-1 1 5 33.14 33.64 2.25 o
0 1 5 9933.88 11044.01 125.45 o
1 1 5 180.16 133.76 5.38 o
2 1 5 1922.68 2004.57 40.91 o
3 1 5 710.88 704.18 28.07 o
4 1 5 32.64 39.87 19.86 o
5 1 5 600.54 625.01 42.04 o
-7 2 5 4497.45 4324.70 109.21 o
-6 2 5 34.18 32.47 15.37 o
-5 2 5 3069.53 3029.97 206.57 o
-4 2 5 490.02 392.74 12.49 o
-3 2 5 132.53 125.04 7.04 o
-2 2 5 54.15 43.64 3.63 o
-1 2 5 569.32 621.36 7.97 o
0 2 5 345.87 393.44 7.27 o
1 2 5 16.85 25.24 5.68 o
2 2 5 271.78 219.81 11.51 o
3 2 5 617.33 703.49 80.21 o
4 2 5 42.63 70.29 22.08 o
5 2 5 4000.15 4077.59 106.60 o
-7 3 5 70.74 52.23 23.71 o
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-5 3 5 413.14 347.27 13.52 o
-4 3 5 1402.32 1385.16 24.76 o
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