#------------------------------------------------------------------------------
#$Date: 2023-10-11 05:12:56 +0300 (Wed, 11 Oct 2023) $
#$Revision: 286892 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022911.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_2022911
_cell_angle_alpha                90.000
_cell_angle_beta                 93.513
_cell_angle_gamma                90.000
_cell_length_a                   8.4765
_cell_length_b                   6.5744
_cell_length_c                   16.9961
_exptl_crystal_F_000             712.00
_reflns_d_resolution_high        0.6881
_cod_data_source_file            yz20403sup3.hkl
_cod_data_source_block           3
_shelx_title                     ' Bruegge in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            325.78
_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
2 0 0 55907.20 56878.21 399.20 o
3 0 0 23050.37 23197.84 193.69 o
4 0 0 38156.30 38976.61 458.37 o
5 0 0 40574.08 40988.04 490.13 o
6 0 0 36553.09 36352.11 452.35 o
7 0 0 24332.55 24132.88 360.25 o
8 0 0 39709.62 39540.24 641.09 o
9 0 0 39432.71 39014.86 609.08 o
10 0 0 24569.20 24923.52 468.34 o
11 0 0 9946.01 10169.73 335.70 o
1 1 0 1509.35 1577.56 18.97 o
2 1 0 1708.25 1794.97 23.48 o
3 1 0 9669.70 9882.35 83.66 o
4 1 0 3578.97 3803.65 49.53 o
5 1 0 804.39 842.79 23.70 o
6 1 0 3622.60 3607.67 54.28 o
7 1 0 7.05 39.74 13.83 o
8 1 0 1179.03 1211.13 61.35 o
9 1 0 1775.69 1722.21 70.45 o
10 1 0 705.94 672.41 55.25 o
11 1 0 311.95 345.35 62.32 o
12 1 0 533.09 406.25 246.67 o
0 2 0 474.50 534.46 19.77 o
1 2 0 4020.23 4099.59 42.30 o
2 2 0 9114.62 9227.28 99.96 o
3 2 0 10249.43 10567.55 123.96 o
4 2 0 1091.22 1113.60 36.49 o
5 2 0 716.93 802.36 36.71 o
6 2 0 2352.13 2389.32 54.95 o
7 2 0 2107.97 2094.80 71.72 o
8 2 0 657.65 790.22 52.54 o
9 2 0 1064.32 1012.38 72.43 o
10 2 0 1445.83 1488.94 98.75 o
11 2 0 2434.10 2220.50 153.91 o
1 3 0 17.77 78.60 10.29 o
2 3 0 30.31 64.21 12.60 o
3 3 0 281.45 369.79 23.77 o
4 3 0 1159.95 1226.74 37.92 o
5 3 0 1042.52 1008.61 37.07 o
6 3 0 1920.09 1924.62 57.67 o
7 3 0 108.56 160.20 22.87 o
8 3 0 118.09 103.13 32.73 o
9 3 0 61.64 80.91 35.82 o
10 3 0 1151.78 1137.89 89.13 o
11 3 0 112.17 114.67 113.25 o
0 4 0 18518.26 17761.97 205.31 o
1 4 0 21086.56 21016.54 192.49 o
2 4 0 33270.86 33058.76 297.09 o
3 4 0 42415.46 41713.17 472.82 o
4 4 0 39578.05 39843.91 340.02 o
5 4 0 37862.67 37843.29 389.71 o
6 4 0 23550.18 23527.00 266.14 o
7 4 0 13227.38 13403.84 188.57 o
8 4 0 7605.21 7658.57 181.59 o
9 4 0 6026.64 6125.19 170.92 o
10 4 0 9071.59 9026.70 236.91 o
11 4 0 10586.19 11649.78 728.04 o
1 5 0 1909.14 1905.11 47.91 o
2 5 0 1491.45 1445.63 54.31 o
3 5 0 1565.61 1609.28 54.47 o
4 5 0 7.47 36.57 21.58 o
5 5 0 1448.87 1434.56 64.17 o
6 5 0 1447.65 1528.51 86.49 o
7 5 0 1026.12 1090.80 57.67 o
8 5 0 447.26 340.08 61.28 o
9 5 0 14.12 46.55 40.68 o
10 5 0 144.72 323.08 146.89 o
0 6 0 16069.14 15896.83 318.53 o
1 6 0 13981.48 13666.51 206.12 o
2 6 0 14556.00 14352.60 212.53 o
3 6 0 8379.80 8427.70 151.77 o
4 6 0 8997.39 8971.75 145.32 o
5 6 0 5741.73 5779.96 135.91 o
6 6 0 10206.29 10530.75 261.72 o
7 6 0 9873.97 9943.97 197.83 o
8 6 0 8520.90 8479.98 213.91 o
9 6 0 5576.43 5547.07 476.65 o
1 7 0 230.29 272.95 38.33 o
2 7 0 256.57 313.16 39.91 o
3 7 0 20.89 71.25 30.30 o
4 7 0 83.17 153.72 33.61 o
5 7 0 180.17 186.84 53.38 o
6 7 0 787.40 872.99 74.70 o
7 7 0 332.42 222.76 58.51 o
0 8 0 3628.89 3515.53 162.11 o
1 8 0 5254.23 5106.19 147.56 o
2 8 0 6884.58 6773.71 202.76 o
3 8 0 4196.45 4312.11 132.08 o
4 8 0 1653.76 1533.05 87.34 o
5 8 0 1320.84 1303.62 149.21 o
6 8 0 2951.64 2850.79 350.35 o
1 9 0 1227.53 1174.71 99.42 o
2 9 0 1101.61 1166.01 115.81 o
3 9 0 37.16 77.26 76.00 o
-12 1 1 3046.30 3263.38 286.04 o
-11 1 1 3276.28 3241.55 128.43 o
-10 1 1 3376.91 3400.10 123.21 o
-9 1 1 4395.25 4514.22 127.74 o
-8 1 1 4807.89 4722.92 108.01 o
-7 1 1 1780.06 1802.09 43.30 o
-6 1 1 3923.18 3951.35 65.85 o
-5 1 1 5898.17 5812.90 71.41 o
-4 1 1 21536.66 21905.08 166.41 o
-3 1 1 32784.77 32975.31 210.58 o
-2 1 1 35967.87 36210.96 190.37 o
-1 1 1 19496.52 19625.15 107.13 o
0 1 1 30022.86 30512.44 152.87 o
1 1 1 27101.04 27428.28 156.06 o
2 1 1 12768.43 12880.75 92.35 o
3 1 1 6992.40 6841.23 62.53 o
4 1 1 13522.24 13643.95 126.83 o
5 1 1 16328.79 16218.79 141.68 o
6 1 1 24987.88 25291.31 205.71 o
7 1 1 22941.41 22259.77 305.25 o
8 1 1 9521.35 9817.50 169.93 o
9 1 1 7910.47 7984.44 171.85 o
10 1 1 5116.56 5387.29 144.45 o
11 1 1 4454.95 4419.75 161.50 o
-11 2 1 10966.21 10590.05 309.51 o
-10 2 1 9280.78 9035.54 224.33 o
-9 2 1 9635.94 9672.71 220.01 o
-8 2 1 14338.42 14307.72 222.49 o
-7 2 1 22084.34 22430.88 219.32 o
-6 2 1 28025.99 27959.69 258.63 o
-5 2 1 23823.94 23820.36 210.09 o
-4 2 1 22098.49 21931.70 201.68 o
-3 2 1 61267.14 62524.69 433.88 o
-2 2 1 36643.91 35867.38 233.69 o
-1 2 1 39607.33 40261.63 212.40 o
0 2 1 18012.13 17965.55 99.03 o
1 2 1 20338.13 20416.09 124.27 o
2 2 1 37963.06 37640.72 283.09 o
3 2 1 45222.18 45565.23 340.63 o
4 2 1 18944.82 18903.96 182.10 o
5 2 1 18183.45 18405.97 173.31 o
6 2 1 11603.44 11663.26 143.51 o
7 2 1 13993.17 13745.76 176.22 o
8 2 1 9920.38 10003.36 199.36 o
9 2 1 4595.06 4748.75 128.72 o
10 2 1 2658.52 2804.77 122.46 o
11 2 1 2913.32 2740.85 170.38 o
-11 3 1 19.54 191.55 91.47 o
-10 3 1 53.33 54.29 39.64 o
-9 3 1 695.90 721.54 73.06 o
-8 3 1 3166.22 3409.26 172.35 o
-7 3 1 4931.39 4864.09 147.22 o
-6 3 1 1803.12 1859.06 56.74 o
-5 3 1 259.81 290.00 20.00 o
-4 3 1 3841.66 3938.10 67.80 o
-3 3 1 2930.69 2824.65 52.84 o
-2 3 1 956.53 884.05 24.45 o
-1 3 1 288.42 328.94 15.00 o
0 3 1 1570.06 1537.59 25.81 o
1 3 1 11236.48 11053.66 97.85 o
2 3 1 18761.07 18652.99 186.32 o
3 3 1 5414.80 5317.78 85.38 o
4 3 1 2839.73 2956.75 78.86 o
5 3 1 1544.56 1597.94 61.99 o
6 3 1 2374.07 2444.20 62.39 o
7 3 1 2397.69 2337.24 77.82 o
8 3 1 1132.19 974.76 80.93 o
9 3 1 906.40 918.74 70.39 o
10 3 1 2136.87 2049.35 108.63 o
11 3 1 3362.91 3334.67 350.94 o
-10 4 1 1396.54 1414.25 103.41 o
-9 4 1 3559.11 3770.67 141.87 o
-8 4 1 2835.34 2943.46 111.36 o
-7 4 1 1394.32 1432.77 56.92 o
-6 4 1 2877.93 2944.57 80.58 o
-5 4 1 7759.17 7576.18 119.94 o
-4 4 1 16037.53 16063.73 173.67 o
-3 4 1 8621.58 8277.17 114.32 o
-2 4 1 1382.71 1461.95 41.83 o
-1 4 1 1392.35 1441.31 37.95 o
0 4 1 5185.08 4924.15 93.24 o
1 4 1 6933.39 6977.91 87.68 o
2 4 1 3854.38 3911.81 79.74 o
3 4 1 4769.73 4804.30 90.01 o
4 4 1 4390.44 4345.01 76.24 o
5 4 1 8145.20 8303.32 145.50 o
6 4 1 5801.25 5752.49 103.05 o
7 4 1 1435.21 1379.26 55.63 o
8 4 1 252.06 266.09 39.31 o
9 4 1 1073.14 1044.12 71.22 o
10 4 1 741.16 692.10 69.32 o
11 4 1 1606.68 1594.75 265.92 o
-9 5 1 3843.91 3971.89 161.66 o
-8 5 1 3546.59 3617.16 130.31 o
-7 5 1 4137.98 4144.20 116.36 o
-6 5 1 12341.87 12503.38 204.93 o
-5 5 1 14122.41 14221.41 221.90 o
-4 5 1 10507.15 10432.83 154.57 o
-3 5 1 5168.33 5192.28 103.63 o
-2 5 1 8947.03 8939.00 135.29 o
-1 5 1 17524.18 17230.07 176.88 o
0 5 1 19856.25 19363.88 190.49 o
1 5 1 16376.72 16194.68 171.55 o
2 5 1 14108.71 14221.55 185.14 o
3 5 1 20122.88 20090.74 232.62 o
4 5 1 19098.19 19064.04 239.97 o
5 5 1 17022.23 16714.31 240.32 o
6 5 1 7763.73 8024.64 169.88 o
7 5 1 8228.29 8529.22 173.47 o
8 5 1 7826.56 7825.35 194.49 o
9 5 1 10609.77 10912.80 287.34 o
10 5 1 7492.02 7826.53 588.00 o
-9 6 1 7416.24 6921.38 369.00 o
-8 6 1 9651.55 9509.39 227.42 o
-7 6 1 4302.92 4261.63 131.68 o
-6 6 1 4214.95 4295.44 127.19 o
-5 6 1 6037.76 6027.34 131.70 o
-4 6 1 7641.75 7608.95 150.47 o
-3 6 1 4774.11 4918.67 114.26 o
-2 6 1 5954.01 5834.25 135.06 o
-1 6 1 9742.01 9629.80 176.80 o
0 6 1 15680.27 15314.80 203.57 o
1 6 1 13583.45 13301.80 189.76 o
2 6 1 6878.45 6924.64 138.86 o
3 6 1 2683.66 2790.16 79.99 o
4 6 1 3499.27 3648.42 105.45 o
5 6 1 3876.00 4061.21 102.97 o
6 6 1 2083.38 2049.49 83.52 o
7 6 1 2823.29 2879.67 104.33 o
8 6 1 2666.65 2538.69 108.73 o
9 6 1 3352.03 3122.43 255.06 o
-8 7 1 558.38 413.21 137.63 o
-7 7 1 145.35 103.69 67.87 o
-6 7 1 14.89 52.06 36.57 o
-5 7 1 19.98 40.56 32.57 o
-4 7 1 169.26 148.98 33.28 o
-3 7 1 181.31 175.05 34.92 o
-2 7 1 102.86 188.28 34.45 o
-1 7 1 141.67 225.61 38.89 o
0 7 1 437.45 507.67 42.68 o
1 7 1 459.29 513.80 61.54 o
2 7 1 227.92 227.19 34.54 o
3 7 1 2.73 53.30 30.55 o
4 7 1 7.86 14.34 29.32 o
5 7 1 40.97 97.87 32.55 o
6 7 1 366.14 440.93 55.54 o
7 7 1 3.68 -1.16 55.12 o
-6 8 1 3161.82 3419.82 388.90 o
-5 8 1 3959.67 3912.34 167.90 o
-4 8 1 3508.81 3326.86 127.11 o
-3 8 1 5699.18 5312.93 156.75 o
-2 8 1 7702.47 7643.20 184.06 o
-1 8 1 8736.61 8889.54 198.31 o
0 8 1 6129.53 5948.31 160.21 o
1 8 1 10571.88 10403.07 216.15 o
2 8 1 5558.09 5383.66 152.34 o
3 8 1 4185.53 4106.95 135.41 o
4 8 1 2194.16 2356.98 107.53 o
5 8 1 2304.00 2467.26 187.65 o
6 8 1 3290.30 2860.03 246.02 o
-3 9 1 2578.38 2412.50 318.11 o
-2 9 1 3630.32 3446.78 192.12 o
-1 9 1 4363.68 4277.31 210.99 o
0 9 1 6115.69 6010.60 248.67 o
1 9 1 4812.24 4589.05 297.29 o
2 9 1 5528.76 5251.66 211.81 o
3 9 1 4676.48 5053.41 471.11 o
4 9 1 5404.88 5558.45 496.61 o
-12 0 2 2045.38 2175.53 228.59 o
-11 0 2 1673.07 1797.54 139.53 o
-10 0 2 2223.53 2364.32 127.26 o
-9 0 2 4242.54 4112.78 156.77 o
-8 0 2 2225.85 2323.66 118.40 o
-7 0 2 480.91 531.50 59.18 o
-6 0 2 594.78 616.86 36.36 o
-5 0 2 86.89 145.27 19.02 o
-4 0 2 4600.06 4865.76 78.50 o
-3 0 2 5405.12 5498.54 72.79 o
-2 0 2 1176.44 1243.01 22.35 o
-1 0 2 2504.80 2575.36 25.66 o
0 0 2 1633.69 1761.89 40.00 o
1 0 2 280.03 318.89 10.93 o
2 0 2 3880.16 4293.93 60.33 o
3 0 2 344.86 393.63 24.17 o
4 0 2 611.80 654.95 31.01 o
5 0 2 36.00 81.04 18.66 o
6 0 2 40.47 100.07 16.20 o
7 0 2 343.13 388.29 37.82 o
8 0 2 1545.72 1487.93 93.14 o
9 0 2 368.87 346.97 51.73 o
10 0 2 39.57 48.52 38.17 o
11 0 2 86.92 59.43 88.85 o
-12 1 2 2174.97 2163.16 334.16 o
-11 1 2 4398.44 4227.25 160.68 o
-10 1 2 9101.93 8920.39 205.87 o
-9 1 2 14607.26 14501.88 249.11 o
-8 1 2 7882.80 8055.37 136.86 o
-7 1 2 8453.88 8547.91 110.58 o
-6 1 2 7191.68 6910.09 95.55 o
-5 1 2 16293.57 16141.46 144.94 o
-4 1 2 17167.32 16824.96 140.51 o
-3 1 2 31840.13 32428.63 208.92 o
-2 1 2 26547.52 26246.23 141.92 o
-1 1 2 59675.62 61017.96 318.15 o
0 1 2 31025.82 31995.15 157.21 o
1 1 2 46967.89 47975.77 257.76 o
2 1 2 5901.68 5818.97 48.46 o
3 1 2 12691.34 12819.71 101.32 o
4 1 2 22152.29 22428.68 189.02 o
5 1 2 27763.59 27741.26 238.20 o
6 1 2 21004.20 20645.35 207.16 o
7 1 2 10519.62 10509.76 136.40 o
8 1 2 7357.18 7562.86 157.23 o
9 1 2 9336.21 9487.62 177.26 o
10 1 2 5906.59 5783.11 177.65 o
11 1 2 2582.36 2638.50 124.73 o
-11 2 2 67.13 161.04 62.28 o
-10 2 2 344.47 301.01 49.22 o
-9 2 2 1016.76 1007.02 70.37 o
-8 2 2 451.26 545.18 39.30 o
-7 2 2 2229.54 2144.53 54.48 o
-6 2 2 527.97 549.53 27.41 o
-5 2 2 755.57 800.05 26.17 o
-4 2 2 5948.93 5983.24 75.23 o
-3 2 2 4458.74 4536.74 53.42 o
-2 2 2 16.25 52.68 10.51 o
-1 2 2 9702.66 9990.20 65.73 o
0 2 2 17289.02 17913.20 100.33 o
1 2 2 1191.24 1251.99 19.83 o
2 2 2 132.66 212.93 14.47 o
3 2 2 467.75 503.65 19.68 o
4 2 2 1177.13 1188.17 31.89 o
5 2 2 3609.42 3457.48 59.34 o
6 2 2 1255.23 1299.65 44.49 o
7 2 2 88.91 91.36 17.80 o
8 2 2 3886.81 3884.02 117.46 o
9 2 2 1935.83 1950.44 104.33 o
10 2 2 95.26 46.37 37.29 o
11 2 2 473.89 486.02 71.41 o
-11 3 2 7150.92 7297.32 537.41 o
-10 3 2 5242.73 5382.50 191.63 o
-9 3 2 9959.69 9477.20 245.91 o
-8 3 2 18285.71 17985.39 305.46 o
-7 3 2 32840.36 33372.51 358.59 o
-6 3 2 39925.37 40303.38 374.88 o
-5 3 2 36904.66 36598.27 284.99 o
-4 3 2 30607.74 29894.55 218.36 o
-3 3 2 33230.10 33222.49 310.67 o
-2 3 2 31536.31 31210.54 237.36 o
-1 3 2 26165.74 26231.22 201.51 o
0 3 2 35676.73 35600.16 224.06 o
1 3 2 56912.30 56712.21 365.30 o
2 3 2 77319.90 77484.30 531.25 o
3 3 2 75021.77 74444.68 589.12 o
4 3 2 43632.86 43332.00 404.06 o
5 3 2 15900.05 15705.90 190.10 o
6 3 2 15821.12 16053.80 200.08 o
7 3 2 15243.21 15234.73 254.68 o
8 3 2 17066.21 16841.89 318.29 o
9 3 2 15357.79 15310.06 323.31 o
10 3 2 15075.15 15085.31 314.76 o
11 3 2 13092.04 13457.26 597.66 o
-11 4 2 705.08 675.14 166.43 o
-10 4 2 183.80 112.83 47.95 o
-9 4 2 1136.02 1204.88 80.71 o
-8 4 2 1312.86 1362.81 82.80 o
-7 4 2 2299.97 2342.96 79.07 o
-6 4 2 2231.24 2364.79 71.88 o
-5 4 2 1361.37 1406.53 42.93 o
-4 4 2 403.11 448.35 22.22 o
-3 4 2 128.18 166.46 15.78 o
-2 4 2 61.35 86.46 17.66 o
-1 4 2 721.06 735.96 38.07 o
0 4 2 890.52 902.77 24.44 o
1 4 2 293.29 321.43 16.23 o
2 4 2 272.22 291.58 20.11 o
3 4 2 310.97 370.25 26.57 o
4 4 2 38.70 74.87 18.85 o
5 4 2 218.31 229.35 29.81 o
6 4 2 28.59 69.48 20.18 o
7 4 2 14.24 116.98 50.98 o
8 4 2 10.23 55.54 28.73 o
9 4 2 224.84 221.01 48.53 o
10 4 2 155.51 109.15 59.04 o
-10 5 2 596.57 533.60 157.01 o
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-3 5 2 77.86 125.97 23.80 o
-2 5 2 329.74 329.60 27.07 o
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0 5 2 1130.16 1102.84 40.67 o
1 5 2 1091.36 1051.47 29.64 o
2 5 2 681.35 738.65 35.58 o
3 5 2 67.38 173.35 39.18 o
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5 5 2 719.28 836.17 49.97 o
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7 5 2 173.59 159.77 31.70 o
8 5 2 398.78 450.85 47.63 o
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-5 6 2 1391.41 1432.04 60.86 o
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-1 6 2 132.41 158.01 29.31 o
0 6 2 183.99 212.15 26.54 o
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2 6 2 217.95 292.02 32.15 o
3 6 2 959.13 1038.70 49.28 o
4 6 2 2208.21 2113.45 72.56 o
5 6 2 371.77 378.34 34.21 o
6 6 2 9.68 1.94 28.37 o
7 6 2 571.74 639.92 52.06 o
8 6 2 50.11 32.30 44.37 o
9 6 2 100.11 22.98 76.98 o
-8 7 2 9969.96 8985.13 622.82 o
-7 7 2 11565.41 10546.19 378.78 o
-6 7 2 6627.46 6393.15 196.31 o
-5 7 2 8327.06 8283.92 182.34 o
-4 7 2 13793.30 13658.05 264.05 o
-3 7 2 29787.27 29080.03 367.57 o
-2 7 2 35150.08 34696.54 431.01 o
-1 7 2 30745.08 30267.10 389.84 o
0 7 2 15716.03 15638.85 255.42 o
1 7 2 13611.87 13453.73 220.85 o
2 7 2 14323.21 14451.81 229.18 o
3 7 2 13314.46 13403.43 224.04 o
4 7 2 11881.93 11598.09 220.13 o
5 7 2 16302.75 16275.43 262.08 o
6 7 2 19284.44 19328.99 351.07 o
7 7 2 22309.13 21531.48 604.50 o
8 7 2 15525.77 15260.34 884.70 o
-5 8 2 740.92 555.99 97.78 o
-4 8 2 386.09 335.68 48.09 o
-3 8 2 287.94 256.89 40.54 o
-2 8 2 436.42 448.95 51.53 o
-1 8 2 113.93 169.83 36.40 o
0 8 2 188.51 158.91 37.32 o
1 8 2 425.50 435.05 47.54 o
2 8 2 95.83 101.90 40.43 o
3 8 2 232.90 240.85 54.64 o
4 8 2 569.68 620.09 58.40 o
5 8 2 21.94 100.99 74.38 o
6 8 2 234.28 169.00 115.64 o
-3 9 2 1544.02 1813.13 275.64 o
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-1 1 23 4888.20 4761.50 246.46 o
0 1 23 4526.84 4464.07 235.01 o
1 1 23 5312.91 4925.07 424.86 o
-2 2 23 180.48 271.72 103.00 o
-1 2 23 931.06 983.93 116.24 o
0 2 23 1153.69 989.28 145.66 o
1 2 23 460.62 332.11 109.46 o
-2 3 23 2390.80 2280.17 316.79 o
0 3 23 1540.29 1499.87 148.42 o
1 3 23 733.04 478.23 193.90 o
0 0 24 2796.68 2894.08 326.98 o
0 1 24 2169.84 1810.93 149.04 o