#------------------------------------------------------------------------------
#$Date: 2023-04-05 18:27:39 +0300 (Wed, 05 Apr 2023) $
#$Revision: 282414 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/20/2312041.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_2312041
_cell_angle_alpha                90.000
_cell_angle_beta                 98.359
_cell_angle_gamma                90.000
_cell_length_a                   7.0784
_cell_length_b                   13.3979
_cell_length_c                   22.0090
_exptl_crystal_F_000             1240.00
_reflns_d_resolution_high        0.7699
_cod_data_source_file            bm5151BaBTCsup2.hkl
_cod_data_source_block           BaBTC
_shelx_title                     ' amba2_n_100_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            351.86
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 2052.21 2238.11 114.93 o
4 0 0 13527.23 14896.45 403.51 o
6 0 0 704.94 309.76 179.26 o
8 0 0 1798.15 1835.96 384.72 o
1 1 0 4982.85 4612.43 179.51 o
2 1 0 12896.91 14875.09 176.91 o
3 1 0 4116.29 4241.20 128.51 o
4 1 0 16909.47 17714.04 278.31 o
5 1 0 2121.07 1923.45 149.47 o
6 1 0 4771.02 5013.51 238.07 o
7 1 0 8.12 15.00 131.98 o
8 1 0 4818.92 3981.82 292.59 o
9 1 0 485.11 1371.09 573.86 o
0 2 0 20270.44 20560.45 345.53 o
1 2 0 7140.56 7293.22 94.34 o
2 2 0 2624.20 2989.09 95.61 o
3 2 0 7428.75 7450.09 165.53 o
4 2 0 17090.45 18775.81 267.05 o
5 2 0 145.15 203.71 100.51 o
6 2 0 129.75 110.83 120.89 o
7 2 0 7506.27 7636.47 314.23 o
8 2 0 1034.33 1004.75 195.10 o
9 2 0 181.75 734.49 639.15 o
1 3 0 15218.07 15551.84 167.70 o
2 3 0 2191.63 2108.06 87.33 o
3 3 0 7085.57 6959.96 168.49 o
4 3 0 1104.75 1086.44 86.66 o
5 3 0 21070.66 21992.29 374.74 o
6 3 0 670.38 483.55 124.60 o
7 3 0 224.95 124.63 135.71 o
8 3 0 854.48 758.37 209.51 o
0 4 0 9603.59 9730.57 303.12 o
1 4 0 18539.82 17904.92 231.84 o
2 4 0 780.75 858.93 75.68 o
3 4 0 6129.56 6014.59 130.18 o
4 4 0 3405.18 3277.32 133.17 o
5 4 0 14.82 38.09 100.05 o
6 4 0 1238.77 918.21 133.03 o
7 4 0 6286.40 6439.94 301.38 o
8 4 0 44.21 348.13 191.50 o
1 5 0 11270.00 11246.36 158.11 o
2 5 0 24341.98 25672.76 275.61 o
3 5 0 6447.12 6440.91 172.02 o
4 5 0 1290.04 1165.83 82.75 o
5 5 0 9184.16 9461.34 240.82 o
6 5 0 1519.58 1365.18 145.85 o
7 5 0 23.47 105.98 156.49 o
8 5 0 342.76 207.16 193.31 o
0 6 0 25914.02 25618.48 579.70 o
1 6 0 1600.42 1593.02 80.18 o
2 6 0 241.24 221.18 69.47 o
3 6 0 3196.94 3103.80 126.13 o
4 6 0 11105.43 11206.76 303.30 o
5 6 0 57.97 63.81 100.85 o
6 6 0 4063.71 3733.37 284.04 o
7 6 0 1018.70 858.71 218.31 o
8 6 0 2664.98 2575.99 376.04 o
1 7 0 12.08 0.00 61.41 o
2 7 0 15302.48 15487.53 261.47 o
3 7 0 523.39 372.64 90.46 o
4 7 0 1895.69 1772.09 193.69 o
5 7 0 79.57 316.30 130.46 o
6 7 0 7705.97 7991.81 393.67 o
7 7 0 207.28 143.20 214.52 o
8 7 0 1575.59 1567.33 366.92 o
0 8 0 11653.35 12937.05 494.75 o
1 8 0 2510.93 2467.86 114.76 o
2 8 0 887.66 835.74 106.25 o
3 8 0 2786.78 2406.47 152.17 o
4 8 0 3281.01 3132.41 182.74 o
5 8 0 279.90 500.04 144.79 o
6 8 0 4284.11 4569.79 315.73 o
7 8 0 2126.85 2127.68 378.53 o
8 8 0 341.81 0.00 251.49 o
1 9 0 4410.27 3899.88 167.47 o
2 9 0 12406.45 12539.75 220.17 o
3 9 0 3370.55 2996.01 279.10 o
4 9 0 35.75 64.69 164.96 o
5 9 0 5925.78 5273.99 467.83 o
6 9 0 3982.10 4249.92 373.16 o
7 9 0 108.10 264.00 462.08 o
0 10 0 706.21 1224.70 296.84 o
1 10 0 9244.21 9485.85 305.63 o
2 10 0 4651.60 4348.74 344.12 o
3 10 0 5482.65 5357.84 230.04 o
4 10 0 889.39 896.94 173.94 o
5 10 0 27.00 157.26 166.08 o
6 10 0 896.09 555.65 298.38 o
7 10 0 6092.89 6396.49 591.62 o
1 11 0 8166.32 9131.59 323.80 o
2 11 0 4308.70 4119.59 190.96 o
3 11 0 2763.38 2320.45 219.93 o
4 11 0 2130.10 1827.00 278.66 o
5 11 0 5830.43 6605.20 699.48 o
6 11 0 544.72 962.47 435.90 o
7 11 0 0.22 200.69 341.97 o
0 12 0 68084.67 72854.48 1293.64 o
1 12 0 2060.38 2016.51 195.16 o
2 12 0 29.59 0.00 112.11 o
3 12 0 5123.55 4874.04 315.25 o
4 12 0 5241.95 5589.83 511.18 o
5 12 0 319.95 445.86 513.37 o
6 12 0 16.89 0.00 471.78 o
1 13 0 133.94 0.00 248.99 o
2 13 0 305.26 349.47 174.99 o
3 13 0 178.43 239.87 256.07 o
4 13 0 4607.20 4691.82 539.16 o
5 13 0 688.80 853.86 375.18 o
6 13 0 2255.08 3688.97 891.70 o
0 14 0 8611.91 9007.01 526.06 o
1 14 0 67.07 0.00 214.85 o
2 14 0 342.30 808.78 349.45 o
3 14 0 174.92 0.00 272.34 o
4 14 0 6625.67 7428.51 881.16 o
5 14 0 74.09 435.39 533.48 o
1 15 0 1095.32 919.18 386.06 o
2 15 0 9543.55 11469.76 715.30 o
3 15 0 1011.52 1511.12 398.13 o
4 15 0 1759.93 1436.65 579.39 o
0 16 0 404.65 876.75 608.42 o
1 16 0 2252.48 1650.35 626.95 o
2 16 0 264.91 424.76 416.33 o
3 16 0 888.24 829.59 349.80 o
1 17 0 3369.92 3322.89 817.18 o
-9 0 1 3284.10 2933.52 487.56 o
-7 0 1 9.66 0.00 174.91 o
-5 0 1 14461.89 15849.88 506.57 o
-3 0 1 15344.56 15738.16 297.71 o
-1 0 1 32476.93 24688.85 396.15 o
1 0 1 22260.38 21744.79 406.61 o
3 0 1 20845.62 21159.44 376.40 o
5 0 1 10389.82 10752.15 493.04 o
7 0 1 914.70 661.64 188.82 o
-9 1 1 508.86 0.00 349.90 o
-8 1 1 134.67 129.78 194.06 o
-7 1 1 6769.40 7309.68 321.49 o
-6 1 1 411.63 302.14 136.14 o
-5 1 1 145.70 124.74 106.47 o
-4 1 1 9239.87 9265.11 191.37 o
-3 1 1 8401.14 7974.14 143.21 o
-2 1 1 11150.89 12269.76 149.57 o
-1 1 1 9249.31 8808.17 197.78 o
1 1 1 14980.04 13928.24 546.83 o
2 1 1 8135.39 8507.81 153.30 o
3 1 1 12275.71 12307.87 206.43 o
4 1 1 14.94 54.31 73.60 o
5 1 1 2362.28 2274.90 185.41 o
6 1 1 96.31 44.42 123.40 o
7 1 1 6960.63 7250.79 304.51 o
8 1 1 28.48 2.37 141.11 o
9 1 1 6.14 0.00 427.25 o
-9 2 1 1384.58 1257.07 446.70 o
-8 2 1 2571.30 2389.69 256.11 o
-7 2 1 54.69 181.65 136.47 o
-6 2 1 480.30 398.58 183.40 o
-5 2 1 12569.21 13104.56 310.74 o
-4 2 1 25692.82 27053.01 322.25 o
-3 2 1 2138.84 1999.03 87.48 o
-2 2 1 5783.28 5458.96 103.89 o
-1 2 1 8762.69 8572.63 135.75 o
0 2 1 3611.38 3769.39 97.38 o
1 2 1 5047.26 5196.31 108.84 o
2 2 1 15040.30 15226.45 205.56 o
3 2 1 1540.59 1414.02 89.36 o
4 2 1 4993.03 5028.21 161.94 o
5 2 1 6049.99 6296.72 237.66 o
6 2 1 13491.15 13976.88 382.09 o
7 2 1 39.62 101.25 129.86 o
8 2 1 2423.59 2388.62 228.11 o
-9 3 1 250.92 243.69 1258.79 o
-8 3 1 1979.61 2232.55 264.91 o
-7 3 1 2.22 83.91 128.64 o
-6 3 1 361.31 177.28 129.49 o
-5 3 1 158.51 86.33 95.43 o
-4 3 1 27159.10 28412.61 328.95 o
-3 3 1 198.17 160.45 53.95 o
-2 3 1 317.06 169.31 51.73 o
-1 3 1 790.12 883.58 58.36 o
0 3 1 72181.82 75504.19 496.78 o
1 3 1 746.07 806.98 57.27 o
2 3 1 20294.00 21321.73 217.64 o
3 3 1 875.38 892.82 79.58 o
4 3 1 15198.11 15326.20 293.68 o
5 3 1 848.74 761.52 110.76 o
6 3 1 2197.88 2166.49 174.83 o
7 3 1 122.90 167.38 134.83 o
8 3 1 3988.98 3770.24 319.99 o
-8 4 1 7860.42 7175.06 513.80 o
-7 4 1 13.67 49.05 200.87 o
-6 4 1 8814.62 9412.15 297.45 o
-5 4 1 278.96 260.40 99.77 o
-4 4 1 10435.71 10615.32 222.92 o
-3 4 1 431.78 410.23 53.84 o
-2 4 1 15307.95 14855.36 179.04 o
-1 4 1 818.36 857.12 57.11 o
0 4 1 2447.99 2375.52 128.01 o
1 4 1 930.56 952.16 57.68 o
2 4 1 34873.48 35163.51 276.61 o
3 4 1 2808.93 2930.35 110.75 o
4 4 1 7.13 0.00 84.48 o
5 4 1 446.71 319.07 105.11 o
6 4 1 1055.16 1000.80 151.97 o
7 4 1 0.13 0.00 136.61 o
8 4 1 2050.20 2109.03 265.72 o
-8 5 1 577.62 651.25 203.97 o
-7 5 1 5154.40 5307.37 309.47 o
-6 5 1 13.75 0.00 113.35 o
-5 5 1 32.17 0.00 94.64 o
-4 5 1 484.10 332.81 66.73 o
-3 5 1 5298.97 5309.30 152.92 o
-2 5 1 4160.01 4726.57 120.55 o
-1 5 1 8407.94 8466.98 134.98 o
0 5 1 19612.31 20240.71 382.19 o
1 5 1 6192.67 6299.68 121.19 o
2 5 1 520.72 549.42 69.80 o
3 5 1 5869.60 5761.83 142.80 o
4 5 1 12146.92 12764.89 231.93 o
5 5 1 57.72 40.65 89.89 o
6 5 1 2121.62 1980.15 183.86 o
7 5 1 4849.77 4609.71 300.88 o
8 5 1 811.49 581.65 186.63 o
-8 6 1 246.95 162.55 191.58 o
-7 6 1 1.45 0.00 196.15 o
-6 6 1 518.87 599.90 181.33 o
-5 6 1 8137.85 7701.90 296.93 o
-4 6 1 684.29 617.42 119.39 o
-3 6 1 5672.51 5367.66 153.09 o
-2 6 1 1922.66 1875.69 98.64 o
-1 6 1 12086.49 12133.93 205.50 o
0 6 1 620.23 603.45 104.90 o
1 6 1 11833.03 11635.86 180.10 o
2 6 1 6199.11 6447.63 165.11 o
3 6 1 14363.68 14593.56 264.54 o
4 6 1 1314.89 1172.37 125.78 o
5 6 1 4195.76 3945.44 159.66 o
6 6 1 711.78 634.52 170.29 o
7 6 1 3.91 286.92 169.28 o
8 6 1 375.54 407.36 413.42 o
-8 7 1 182.70 620.19 296.48 o
-7 7 1 9623.97 10188.09 552.24 o
-6 7 1 2558.06 2320.87 241.26 o
-5 7 1 168.98 224.59 116.58 o
-4 7 1 1325.25 1327.49 141.30 o
-3 7 1 18525.32 18859.28 326.42 o
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-1 7 1 1426.77 1596.64 94.26 o
0 7 1 1889.88 2063.35 142.50 o
1 7 1 3037.28 3130.22 121.39 o
2 7 1 38.59 0.52 73.61 o
3 7 1 13891.21 14069.60 277.89 o
4 7 1 1311.93 1094.53 150.00 o
5 7 1 988.46 958.47 145.97 o
6 7 1 0.85 213.31 196.28 o
7 7 1 8003.19 8462.67 517.95 o
8 7 1 77.01 0.00 219.75 o
-8 8 1 2238.11 1748.96 348.37 o
-7 8 1 42.23 0.74 253.29 o
-6 8 1 3536.12 3889.63 495.99 o
-5 8 1 7511.97 7585.35 303.02 o
-4 8 1 5680.44 5716.97 244.59 o
-3 8 1 3156.38 3202.15 165.58 o
-2 8 1 1750.45 1666.53 126.54 o
-1 8 1 7823.09 7501.79 184.04 o
0 8 1 6.79 22.83 100.51 o
1 8 1 7180.65 7046.59 181.15 o
2 8 1 8997.03 8613.12 276.33 o
3 8 1 4593.59 4395.93 199.22 o
4 8 1 898.64 606.02 166.55 o
5 8 1 7216.01 7114.59 347.95 o
6 8 1 122.23 170.91 164.46 o
7 8 1 68.74 0.00 245.90 o
8 8 1 494.46 566.33 355.57 o
-7 9 1 1698.46 1326.79 345.86 o
-6 9 1 74.12 266.78 313.55 o
-5 9 1 152.83 0.00 247.52 o
-4 9 1 8469.71 8118.86 391.34 o
-3 9 1 8160.68 7695.06 293.05 o
-2 9 1 53.98 0.00 69.41 o
-1 9 1 2410.03 2506.77 169.50 o
0 9 1 26839.38 28080.63 542.03 o
1 9 1 2302.05 2135.82 120.11 o
2 9 1 1160.47 1176.12 181.27 o
3 9 1 5283.62 4924.03 230.96 o
4 9 1 2838.17 2545.07 190.33 o
5 9 1 532.61 456.23 172.61 o
6 9 1 282.10 0.00 172.37 o
7 9 1 1783.53 1487.87 355.12 o
-7 10 1 103.04 254.98 320.77 o
-6 10 1 626.19 849.45 623.88 o
-5 10 1 10.56 0.00 307.16 o
-4 10 1 3818.15 3319.22 355.83 o
-3 10 1 6.89 0.00 101.25 o
-2 10 1 5590.64 5140.22 178.60 o
-1 10 1 142.71 98.53 156.94 o
0 10 1 2054.81 2100.88 187.23 o
1 10 1 1.29 0.00 118.96 o
2 10 1 19655.37 20319.58 528.50 o
3 10 1 26.48 41.95 117.72 o
4 10 1 3099.73 2572.70 254.91 o
5 10 1 424.97 334.70 195.44 o
6 10 1 7097.17 7108.28 674.64 o
7 10 1 18.81 639.85 382.09 o
-7 11 1 447.60 0.00 353.27 o
-6 11 1 3716.26 4569.21 707.82 o
-5 11 1 0.73 0.00 359.42 o
-4 11 1 5501.97 5438.97 487.05 o
-3 11 1 404.93 109.70 217.32 o
-2 11 1 37.50 0.00 105.03 o
-1 11 1 1345.89 970.53 155.75 o
0 11 1 11196.65 12082.45 409.09 o
1 11 1 213.04 225.44 177.69 o
2 11 1 588.94 715.87 148.51 o
3 11 1 493.60 382.62 135.57 o
4 11 1 2709.71 2538.71 269.58 o
5 11 1 418.82 537.04 353.89 o
6 11 1 602.67 269.25 447.01 o
-6 12 1 2016.18 1708.46 488.09 o
-5 12 1 3780.90 4379.78 675.76 o
-4 12 1 1148.47 234.03 346.81 o
-3 12 1 1270.02 1368.31 306.27 o
-2 12 1 15803.66 15656.66 765.39 o
-1 12 1 3081.14 3241.79 292.80 o
0 12 1 1126.65 1087.85 170.02 o
1 12 1 1122.57 674.55 202.12 o
2 12 1 3111.22 3244.19 218.34 o
3 12 1 1995.28 1816.33 349.51 o
4 12 1 476.70 743.12 269.35 o
5 12 1 2139.66 2881.71 494.60 o
6 12 1 2518.20 2522.43 447.15 o
-6 13 1 821.08 1543.59 678.01 o
-5 13 1 3.84 188.52 312.35 o
-4 13 1 7.14 0.00 274.27 o
-3 13 1 5546.37 5781.83 512.13 o
-2 13 1 4009.47 3763.82 407.77 o
-1 13 1 771.29 723.58 158.06 o
0 13 1 281.50 62.56 165.56 o
1 13 1 2464.17 2315.28 214.19 o
2 13 1 382.94 656.23 190.81 o
3 13 1 7801.95 8261.85 604.18 o
4 13 1 3086.74 3381.68 445.74 o
5 13 1 1305.28 2019.64 456.65 o
-5 14 1 6281.55 6794.39 916.59 o
-4 14 1 3058.69 2695.14 454.93 o
-3 14 1 1650.74 1934.46 377.63 o
-2 14 1 1.69 231.33 313.94 o
-1 14 1 6790.37 7980.65 981.55 o
0 14 1 140.54 35.59 180.73 o
1 14 1 4015.21 3986.94 378.08 o
2 14 1 114.56 522.31 270.34 o
3 14 1 1610.51 1961.80 382.25 o
4 14 1 38.16 0.00 318.69 o
5 14 1 4786.77 5537.92 686.16 o
-4 15 1 1160.61 875.66 355.78 o
-3 15 1 4244.08 4508.33 507.93 o
-2 15 1 664.04 678.55 499.34 o
-1 15 1 2878.78 2955.69 395.58 o
0 15 1 5116.24 4947.33 328.25 o
1 15 1 3427.82 3649.44 515.37 o
2 15 1 300.24 383.78 277.50 o
3 15 1 4220.63 5724.22 571.70 o
4 15 1 1973.98 1899.77 376.10 o
-3 16 1 9.23 394.13 1329.52 o
-2 16 1 3600.08 4001.19 483.93 o
-1 16 1 775.21 892.67 441.65 o
0 16 1 235.41 298.07 358.28 o
1 16 1 269.49 0.00 390.58 o
2 16 1 2632.66 2359.75 382.15 o
3 16 1 153.13 0.00 344.08 o
-1 17 1 139.34 1349.80 594.32 o
1 17 1 175.56 1720.85 654.79 o
-8 0 2 4729.35 4343.44 416.90 o
-6 0 2 8080.07 9103.09 425.50 o
-4 0 2 2344.85 2510.59 156.29 o
-2 0 2 118.33 155.28 71.56 o
2 0 2 5920.45 5877.97 193.39 o
4 0 2 4965.98 5471.65 238.70 o
6 0 2 10738.42 10159.38 463.22 o
8 0 2 3178.66 2470.08 320.58 o
-9 1 2 133.29 49.12 236.49 o
-8 1 2 3018.60 2362.81 272.95 o
-7 1 2 43.92 0.00 134.26 o
-6 1 2 6299.99 6580.60 280.14 o
-5 1 2 4103.84 3824.23 164.22 o
-4 1 2 2025.19 1853.33 96.71 o
-3 1 2 2773.69 2892.95 97.54 o
-2 1 2 60729.47 62967.28 323.18 o
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0 1 2 256.38 249.17 60.38 o
1 1 2 4528.52 4334.01 82.90 o
2 1 2 97710.07 99073.83 501.42 o
3 1 2 3853.66 3920.21 121.49 o
4 1 2 835.78 787.45 87.54 o
5 1 2 1420.02 1400.86 150.52 o
6 1 2 6729.57 6831.48 275.12 o
7 1 2 10.08 0.00 130.30 o
8 1 2 24.00 110.39 146.64 o
-9 2 2 265.77 0.00 284.09 o
-8 2 2 209.42 171.06 177.23 o
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-5 2 2 162.13 40.20 101.02 o
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0 2 2 8689.21 8402.43 217.00 o
1 2 2 7338.05 7571.12 117.74 o
2 2 2 2093.41 1957.49 87.29 o
3 2 2 13303.22 14002.54 230.04 o
4 2 2 1315.90 1159.64 96.23 o
5 2 2 2023.49 2132.01 170.02 o
6 2 2 2081.32 2117.90 174.68 o
7 2 2 5064.54 5052.06 262.89 o
8 2 2 1349.54 1332.30 175.73 o
-9 3 2 1434.09 1251.72 336.24 o
-8 3 2 886.34 864.44 212.58 o
-7 3 2 8.84 0.00 126.54 o
-6 3 2 1222.78 983.70 140.96 o
-5 3 2 24613.92 25905.26 422.12 o
-4 3 2 1095.39 929.28 77.23 o
-3 3 2 1559.99 1591.61 77.16 o
-2 3 2 1237.58 1112.72 56.29 o
-1 3 2 16322.22 16489.21 196.88 o
0 3 2 0.96 29.39 66.44 o
1 3 2 6247.24 6312.50 117.71 o
2 3 2 692.82 743.78 68.82 o
3 3 2 8305.73 8447.80 173.35 o
4 3 2 4406.15 4380.50 180.83 o
5 3 2 9937.22 10354.69 306.69 o
6 3 2 1067.33 904.97 140.73 o
7 3 2 3.12 0.00 135.37 o
8 3 2 591.91 639.94 193.40 o
-8 4 2 251.79 60.45 265.13 o
-7 4 2 7815.57 8152.95 326.55 o
-6 4 2 7.04 8.55 196.71 o
-5 4 2 128.44 0.00 94.68 o
-4 4 2 501.73 486.44 94.78 o
-3 4 2 11641.80 11593.82 169.49 o
-2 4 2 2266.54 2511.28 82.28 o
-1 4 2 13422.36 12835.54 185.81 o
0 4 2 1996.98 1855.92 100.04 o
1 4 2 21435.95 21834.43 221.73 o
2 4 2 18663.77 20111.03 227.95 o
3 4 2 12328.61 12769.93 219.37 o
4 4 2 1544.26 1606.84 116.64 o
5 4 2 3988.27 3942.09 197.51 o
6 4 2 374.25 375.86 109.48 o
7 4 2 8828.75 9477.64 352.53 o
8 4 2 388.29 399.89 199.54 o
-8 5 2 3038.63 2693.06 339.16 o
-7 5 2 63.25 0.00 241.23 o
-6 5 2 6641.81 6470.03 251.81 o
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