#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:46:23 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181915 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/14/2241479.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241479
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.5507
_cell_length_b                   9.5507
_cell_length_c                   7.0513
_exptl_crystal_F_000             790.28
_reflns_d_resolution_high        0.6091
_cod_data_source_file            ru2066Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' NRB200-298K-HR in P63/m no.176'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            433.96
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-y, -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 2 0 484.11 593.05 30.31 o
0 2 0 19550.31 20680.71 273.40 o
-2 3 0 31917.89 32615.64 605.06 o
-1 3 0 15398.04 15368.65 221.32 o
0 3 0 48053.56 48195.12 613.93 o
-3 4 0 4976.64 5253.18 151.79 o
-2 4 0 660.20 676.25 33.52 o
0 4 0 22291.40 22888.76 324.86 o
-4 5 0 35489.86 35702.13 703.33 o
-3 5 0 9082.65 9219.67 233.73 o
-2 5 0 11416.35 11158.65 196.72 o
-1 5 0 63664.73 63235.12 648.47 o
0 5 0 7320.18 7430.97 143.01 o
-5 6 0 9603.95 9382.17 262.71 o
-4 6 0 11994.65 12125.15 303.76 o
-3 6 0 125.61 161.59 22.25 o
-2 6 0 17664.93 18473.08 291.81 o
-1 6 0 1384.05 1390.08 36.89 o
0 6 0 1930.84 1829.59 104.17 o
-6 7 0 20292.91 20177.90 480.63 o
-5 7 0 8913.07 8809.99 260.39 o
-4 7 0 2287.55 2032.35 92.08 o
-3 7 0 1388.35 1431.06 62.34 o
-2 7 0 813.15 755.72 45.72 o
-1 7 0 16791.16 16467.67 278.80 o
0 7 0 2973.62 2898.80 143.50 o
-7 8 0 2114.22 2170.59 128.68 o
-6 8 0 4566.73 4462.94 126.85 o
-5 8 0 5178.16 5047.34 134.69 o
-4 8 0 48351.21 48053.98 676.90 o
-3 8 0 33.37 66.80 29.68 o
-2 8 0 8555.70 8555.99 184.03 o
-1 8 0 23657.34 23416.81 555.45 o
0 8 0 13792.63 14007.39 395.49 o
-8 9 0 64.38 95.14 39.89 o
-7 9 0 10796.49 10518.76 224.37 o
-6 9 0 4873.67 4829.53 293.60 o
-5 9 0 9132.84 9124.01 201.77 o
-4 9 0 425.18 452.25 66.94 o
-3 9 0 12.78 18.32 22.82 o
-2 9 0 2937.06 2884.94 101.70 o
-1 9 0 5809.79 5827.97 233.11 o
0 9 0 23440.78 23110.62 583.43 o
-9 10 0 2324.43 2260.71 97.55 o
-8 10 0 930.26 804.59 57.34 o
-7 10 0 11131.93 10837.56 236.51 o
-6 10 0 455.86 616.15 162.81 o
-5 10 0 8009.25 7822.15 202.48 o
-4 10 0 7296.86 7334.53 183.48 o
-3 10 0 6917.93 6965.97 275.67 o
-2 10 0 3098.02 2970.33 165.64 o
-1 10 0 96.22 78.22 42.18 o
0 10 0 2074.33 1967.02 142.75 o
-10 11 0 423.29 346.50 66.83 o
-9 11 0 2305.00 2218.30 151.96 o
-8 11 0 839.46 870.50 62.04 o
-7 11 0 1168.47 1023.55 86.35 o
-6 11 0 5921.37 5974.82 170.16 o
-5 11 0 8183.37 8254.60 206.71 o
-4 11 0 3602.82 3569.54 126.35 o
-3 11 0 1088.68 1099.91 68.68 o
-2 11 0 8138.00 8137.51 305.37 o
-1 11 0 1530.48 1450.57 125.12 o
0 11 0 2817.83 2870.82 181.83 o
-11 12 0 1663.73 1690.70 144.29 o
-10 12 0 1290.24 1398.44 130.04 o
-9 12 0 19426.93 17850.02 524.99 o
-8 12 0 3012.40 3230.14 126.15 o
-7 12 0 4500.17 4950.90 165.13 o
-6 12 0 546.29 522.25 51.75 o
-5 12 0 349.23 325.91 56.69 o
-4 12 0 2118.35 2020.89 98.23 o
-3 12 0 2038.29 2168.77 150.95 o
-2 12 0 6840.06 6857.67 288.54 o
-1 12 0 25.27 69.70 45.07 o
0 12 0 11874.04 12010.67 422.30 o
-12 13 0 558.64 528.93 85.23 o
-11 13 0 322.73 336.60 70.93 o
-10 13 0 47.31 102.76 50.66 o
-9 13 0 8151.15 8138.38 333.06 o
-8 13 0 8599.35 8641.16 340.49 o
-7 13 0 4912.74 4966.41 256.95 o
-6 13 0 1108.63 1344.21 87.88 o
-5 13 0 20601.01 20733.84 398.38 o
-4 13 0 1117.89 1064.51 107.10 o
-3 13 0 1577.83 1675.28 138.15 o
-2 13 0 1410.73 1488.08 134.42 o
-1 13 0 5986.46 5754.80 277.94 o
0 13 0 2177.75 2035.51 164.94 o
-12 14 0 4195.77 3956.53 237.85 o
-11 14 0 2587.18 2433.82 181.91 o
-10 14 0 1836.04 2027.60 164.63 o
-9 14 0 604.23 603.66 93.53 o
-8 14 0 5735.87 6099.75 287.82 o
-7 14 0 32.17 25.08 23.43 o
-6 14 0 144.86 162.65 38.26 o
-5 14 0 0.15 -17.19 29.37 o
-4 14 0 516.08 448.64 75.65 o
-3 14 0 3392.27 3109.46 196.23 o
-2 14 0 234.78 260.17 63.41 o
-9 15 0 221.75 157.38 54.19 o
-8 15 0 385.63 468.10 84.13 o
-7 15 0 2512.26 2460.37 180.36 o
-6 15 0 129.17 208.53 52.51 o
-5 15 0 2823.89 2727.42 180.66 o
-4 15 0 1671.00 1836.48 151.42 o
0 1 1 52.56 59.24 6.52 o
0 2 1 83.50 112.07 14.16 o
-2 3 1 57809.74 59176.97 998.72 o
-1 3 1 34395.60 35090.94 316.89 o
0 3 1 78.06 126.50 9.27 o
-3 4 1 2272.06 2395.70 39.35 o
-2 4 1 5169.30 4960.14 69.90 o
-1 4 1 95.88 95.70 8.69 o
0 4 1 71.54 84.07 21.58 o
-4 5 1 2035.85 2166.79 49.18 o
-3 5 1 25136.54 24698.23 469.99 o
-2 5 1 16545.12 16692.53 195.92 o
-1 5 1 164.76 159.57 14.67 o
0 5 1 137.59 162.12 12.70 o
-5 6 1 14044.95 14309.56 198.60 o
-4 6 1 2331.90 2384.92 77.46 o
-3 6 1 30271.24 30075.57 404.14 o
-2 6 1 1110.56 1032.72 26.31 o
-1 6 1 5992.51 5967.00 77.16 o
0 6 1 1661.92 1698.60 41.21 o
-6 7 1 18764.76 18334.30 208.82 o
-5 7 1 9452.38 9256.48 179.82 o
-4 7 1 10404.79 10530.96 262.03 o
-3 7 1 35.73 67.23 13.95 o
-2 7 1 16323.76 16249.22 164.65 o
-1 7 1 10476.07 10430.62 140.89 o
0 7 1 1840.70 1791.64 83.78 o
-7 8 1 2556.75 2612.19 60.80 o
-6 8 1 1878.28 1769.74 61.37 o
-5 8 1 797.71 736.85 39.25 o
-4 8 1 1230.73 1249.56 44.52 o
-3 8 1 2563.14 2535.86 63.48 o
-2 8 1 8072.94 8036.78 125.13 o
-1 8 1 833.67 835.22 42.69 o
0 8 1 124.45 158.64 33.91 o
-8 9 1 680.72 750.44 59.25 o
-7 9 1 7944.32 7993.45 152.67 o
-6 9 1 5712.23 5598.27 106.41 o
-5 9 1 494.23 490.89 30.88 o
-4 9 1 2021.34 2021.26 59.91 o
-3 9 1 4917.55 4895.32 97.24 o
-2 9 1 1026.50 1008.81 78.16 o
-1 9 1 0.15 -2.65 19.80 o
0 9 1 506.86 463.03 63.24 o
-9 10 1 1275.30 1348.59 80.85 o
-8 10 1 9432.37 9109.86 260.56 o
-7 10 1 10291.97 10200.22 209.16 o
-6 10 1 56.91 68.83 17.87 o
-5 10 1 2316.75 2271.65 89.55 o
-4 10 1 8720.39 8918.19 146.40 o
-3 10 1 11461.04 11279.44 250.07 o
-2 10 1 1621.70 1705.97 67.53 o
-1 10 1 445.84 392.59 47.74 o
0 10 1 2434.50 2383.55 221.54 o
-10 11 1 15045.93 15324.44 332.10 o
-9 11 1 398.22 423.32 39.87 o
-8 11 1 677.90 689.40 48.25 o
-7 11 1 1552.58 1600.18 59.06 o
-6 11 1 12527.58 12404.43 246.05 o
-5 11 1 4077.43 4298.19 99.36 o
-4 11 1 2950.85 3000.45 83.80 o
-3 11 1 163.31 167.01 31.29 o
-2 11 1 12034.11 11619.93 268.79 o
-1 11 1 2670.86 2745.60 121.78 o
0 11 1 1129.33 1174.37 81.99 o
-11 12 1 1468.98 1561.00 98.23 o
-10 12 1 735.05 789.04 68.83 o
-9 12 1 99.73 113.67 24.52 o
-8 12 1 60.11 88.01 25.27 o
-7 12 1 1016.95 1010.30 49.27 o
-6 12 1 3137.97 3301.66 89.72 o
-5 12 1 600.81 625.81 39.55 o
-4 12 1 432.02 450.30 39.33 o
-3 12 1 4195.24 4163.16 118.58 o
-2 12 1 5210.15 5152.80 173.92 o
-1 12 1 180.00 167.68 46.45 o
0 12 1 7.08 18.38 25.36 o
-12 13 1 716.30 623.28 69.90 o
-11 13 1 1948.24 2189.89 136.23 o
-10 13 1 358.11 384.09 91.18 o
-9 13 1 88.19 117.38 26.99 o
-8 13 1 260.92 233.32 32.96 o
-7 13 1 1294.29 1295.81 69.39 o
-6 13 1 484.18 459.24 36.12 o
-5 13 1 10.72 8.17 18.59 o
-4 13 1 224.32 301.08 50.95 o
-3 13 1 525.69 473.25 53.16 o
-2 13 1 155.70 115.81 35.10 o
-1 13 1 2.02 11.82 25.22 o
0 13 1 25.96 78.16 65.56 o
-12 14 1 5790.75 5814.23 293.92 o
-11 14 1 2643.95 2737.78 136.78 o
-10 14 1 827.57 780.78 148.75 o
-9 14 1 14.79 -9.97 34.36 o
-8 14 1 2679.04 2717.38 126.01 o
-7 14 1 5842.39 5562.06 152.43 o
-6 14 1 29.91 38.02 26.77 o
-5 14 1 885.30 970.95 59.68 o
-4 14 1 2778.15 2942.04 131.29 o
-3 14 1 3980.87 4439.26 168.19 o
-2 14 1 143.91 315.71 47.08 o
-9 15 1 15.35 7.97 37.71 o
-8 15 1 2460.89 2563.08 315.10 o
-7 15 1 10.56 48.98 50.44 o
-6 15 1 4726.50 4492.77 168.02 o
-5 15 1 47.15 -32.46 35.51 o
-4 15 1 3556.52 3647.57 211.80 o
0 0 2 60480.23 64439.00 1130.05 o
0 1 2 21940.54 22906.87 177.92 o
-1 2 2 40179.35 40561.59 365.63 o
0 2 2 1564.35 1696.41 23.92 o
-2 3 2 62.68 46.70 4.42 o
-1 3 2 2183.88 2291.89 34.56 o
0 3 2 5069.23 5083.95 63.38 o
-3 4 2 8488.05 8861.14 91.96 o
-2 4 2 50582.56 50508.30 372.68 o
-1 4 2 21972.58 22473.12 218.88 o
0 4 2 66433.41 65931.59 477.73 o
-4 5 2 1146.63 1114.18 22.26 o
-3 5 2 1588.00 1625.94 36.36 o
-2 5 2 484.76 502.85 20.49 o
-1 5 2 1962.39 1980.48 32.27 o
0 5 2 43124.91 42015.21 322.61 o
-5 6 2 849.24 805.61 20.53 o
-4 6 2 2398.50 2377.45 41.11 o
-3 6 2 26573.71 26570.08 316.70 o
-2 6 2 374.50 404.18 19.89 o
-1 6 2 3649.80 3586.57 52.95 o
0 6 2 13764.27 13617.93 126.08 o
-6 7 2 1911.49 2064.67 66.00 o
-5 7 2 12633.01 12688.03 133.29 o
-4 7 2 2093.04 2101.13 67.62 o
-3 7 2 3670.17 3761.01 84.11 o
-2 7 2 35729.34 35085.99 365.40 o
-1 7 2 2791.03 2670.18 57.49 o
0 7 2 1852.74 1868.96 40.62 o
-7 8 2 11467.85 11371.01 182.87 o
-6 8 2 819.08 763.42 32.13 o
-5 8 2 24388.00 23676.90 322.97 o
-4 8 2 4694.83 4740.99 102.52 o
-3 8 2 6899.10 6638.35 234.45 o
-2 8 2 824.07 800.94 41.29 o
-1 8 2 31.99 22.32 15.05 o
0 8 2 30673.12 29838.74 1125.50 o
-8 9 2 2523.35 2419.74 102.97 o
-7 9 2 536.17 538.42 35.37 o
-6 9 2 5255.91 5065.15 110.12 o
-5 9 2 22897.81 22514.65 268.78 o
-4 9 2 10738.25 10855.75 160.61 o
-3 9 2 16897.93 16565.46 247.79 o
-2 9 2 672.72 668.53 40.18 o
-1 9 2 23766.19 23625.26 521.10 o
0 9 2 195.29 202.59 35.24 o
-9 10 2 73.71 78.51 28.56 o
-8 10 2 9217.19 9309.21 230.06 o
-7 10 2 679.33 663.93 41.95 o
-6 10 2 724.22 725.89 33.69 o
-5 10 2 3878.92 3839.64 89.79 o
-4 10 2 47.66 56.76 16.86 o
-3 10 2 512.55 540.07 41.96 o
-2 10 2 5932.20 6111.39 135.74 o
-1 10 2 3850.25 3919.87 141.38 o
0 10 2 349.62 305.57 44.79 o
-10 11 2 14103.70 13924.51 737.42 o
-9 11 2 139.65 141.24 35.28 o
-8 11 2 1185.22 1092.28 75.11 o
-7 11 2 6250.44 6278.67 125.13 o
-6 11 2 422.12 458.34 40.17 o
-5 11 2 451.95 412.37 31.66 o
-4 11 2 3460.54 3529.18 142.77 o
-3 11 2 49.14 60.21 21.28 o
-2 11 2 1228.52 1228.26 60.14 o
-1 11 2 4516.06 4255.96 153.87 o
0 11 2 72.51 97.38 33.12 o
-11 12 2 93.59 115.30 37.29 o
-10 12 2 412.48 327.21 54.71 o
-9 12 2 373.47 351.56 55.27 o
-8 12 2 11383.49 11098.54 371.95 o
-7 12 2 6.05 10.36 16.70 o
-6 12 2 7585.18 7551.65 179.04 o
-5 12 2 6492.16 6392.13 202.04 o
-4 12 2 10308.13 10590.90 203.70 o
-3 12 2 3897.30 3836.11 113.33 o
-2 12 2 601.23 543.36 59.44 o
-1 12 2 1394.30 1202.52 84.50 o
0 12 2 28.58 45.23 44.21 o
-12 13 2 344.30 332.51 51.00 o
-11 13 2 4116.36 4338.78 171.54 o
-10 13 2 2386.67 2317.05 96.75 o
-9 13 2 15645.44 15737.99 285.25 o
-8 13 2 3.38 30.09 23.12 o
-7 13 2 486.47 479.27 37.09 o
-6 13 2 4931.49 5117.46 172.45 o
-5 13 2 2359.81 2244.00 87.89 o
-4 13 2 6922.22 7152.09 166.17 o
-3 13 2 77.65 128.61 33.55 o
-2 13 2 1927.88 2337.75 118.91 o
-1 13 2 13982.70 14839.97 345.56 o
0 13 2 7420.45 7798.01 339.37 o
-11 14 2 19.29 14.19 43.15 o
-10 14 2 1861.90 1756.05 111.65 o
-9 14 2 428.18 500.95 53.72 o
-8 14 2 546.07 556.09 69.30 o
-7 14 2 8293.19 9168.12 507.41 o
-6 14 2 782.93 858.79 73.18 o
-5 14 2 2226.47 2327.60 115.17 o
-4 14 2 4961.58 5007.58 175.15 o
-3 14 2 398.20 345.81 47.64 o
-2 14 2 848.16 1004.14 111.32 o
-9 15 2 4030.25 3799.59 214.22 o
-8 15 2 676.79 596.01 80.32 o
-7 15 2 121.64 1.16 40.92 o
-6 15 2 4034.17 4245.69 220.16 o
0 1 3 308.67 323.40 14.19 o
-1 2 3 19410.62 19824.98 167.55 o
0 2 3 2512.06 2722.96 44.85 o
-2 3 3 50835.75 51146.41 413.81 o
-1 3 3 27138.45 27659.84 242.50 o
0 3 3 47.15 62.55 16.37 o
-3 4 3 158.64 164.66 9.52 o
-2 4 3 2379.00 2317.59 37.07 o
-1 4 3 51.05 42.04 7.87 o
0 4 3 18.59 37.52 14.51 o
-4 5 3 2780.96 2754.80 57.21 o
-3 5 3 21931.94 21778.84 184.47 o
-2 5 3 8160.19 8080.26 85.91 o
-1 5 3 951.88 875.77 25.55 o
0 5 3 511.88 543.32 20.56 o
-5 6 3 12863.38 13031.10 119.80 o
-4 6 3 2379.38 2456.47 44.78 o
-3 6 3 16938.47 17011.33 153.11 o
-2 6 3 2830.49 2773.89 50.50 o
-1 6 3 2883.38 3009.90 73.57 o
0 6 3 906.10 941.41 28.32 o
-6 7 3 13008.77 13171.17 164.82 o
-5 7 3 8631.67 8634.33 103.60 o
-4 7 3 10439.89 9974.74 115.13 o
-3 7 3 1.23 29.17 10.70 o
-2 7 3 14484.99 14484.60 157.57 o
-1 7 3 9737.48 9835.44 118.54 o
0 7 3 354.75 367.29 19.07 o
-7 8 3 1765.42 1826.61 64.56 o
-6 8 3 3799.73 3662.18 104.61 o
-5 8 3 547.16 532.95 27.72 o
-4 8 3 53.11 78.90 14.66 o
-3 8 3 2323.36 2417.64 55.25 o
-2 8 3 6074.12 6049.18 103.04 o
-1 8 3 261.04 268.03 20.20 o
0 8 3 57.25 44.71 26.17 o
-8 9 3 591.42 572.76 53.03 o
-7 9 3 6345.41 6460.97 136.84 o
-6 9 3 3249.02 3271.80 103.88 o
-5 9 3 300.94 337.66 29.35 o
-4 9 3 1520.87 1452.76 51.06 o
-3 9 3 2418.89 2487.80 65.07 o
-2 9 3 1490.71 1497.08 60.61 o
-1 9 3 203.98 222.42 35.07 o
0 9 3 447.51 502.67 51.79 o
-9 10 3 1534.92 1647.77 92.23 o
-8 10 3 9561.76 9352.17 233.24 o
-7 10 3 10358.16 10282.33 189.99 o
-6 10 3 62.86 65.85 18.91 o
-5 10 3 1794.77 1679.98 58.73 o
-4 10 3 5967.07 6100.60 117.29 o
-3 10 3 8885.15 8802.78 142.13 o
-2 10 3 1618.53 1643.92 66.03 o
-1 10 3 927.97 899.42 68.29 o
0 10 3 1747.23 1865.34 174.00 o
-10 11 3 15489.68 15163.83 336.01 o
-9 11 3 659.65 596.34 59.66 o
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-7 11 3 1420.62 1489.61 59.41 o
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-4 11 3 2917.28 2988.20 72.12 o
-3 11 3 102.68 138.13 33.53 o
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0 11 3 769.94 770.81 69.83 o
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-10 12 3 842.17 875.34 73.80 o
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-5 12 3 248.85 298.25 28.49 o
-4 12 3 267.94 307.98 29.52 o
-3 12 3 3303.78 3570.17 141.69 o
-2 12 3 3717.71 3810.97 150.31 o
-1 12 3 128.89 172.38 37.65 o
0 12 3 14.03 18.87 26.03 o
-12 13 3 770.31 827.86 77.19 o
-11 13 3 2406.00 2413.98 126.80 o
-10 13 3 230.14 157.68 31.75 o
-9 13 3 37.04 39.53 24.02 o
-8 13 3 265.63 273.26 37.87 o
-7 13 3 777.90 758.14 54.02 o
-6 13 3 565.08 545.22 39.43 o
-5 13 3 0.66 -3.18 22.37 o
-4 13 3 20.77 73.27 31.44 o
-3 13 3 712.37 919.88 73.70 o
-2 13 3 205.73 264.34 44.72 o
-1 13 3 16.51 -8.06 26.89 o
-10 14 3 1084.21 1229.47 86.39 o
-9 14 3 74.08 97.22 26.58 o
-8 14 3 2957.92 2962.46 136.62 o
-7 14 3 4958.96 4944.77 142.87 o
-6 14 3 4.95 49.83 23.41 o
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-3 14 3 3602.95 4082.02 246.52 o
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-8 15 3 1823.22 1825.44 149.00 o
-7 15 3 4.80 62.73 26.94 o
0 0 4 188317.05 172534.97 3011.98 o
0 1 4 187.55 261.91 24.50 o
-1 2 4 1329.41 1339.90 31.87 o
0 2 4 8013.94 7748.69 97.07 o
-2 3 4 15389.71 15164.87 208.97 o
-1 3 4 14454.27 14392.25 168.34 o
0 3 4 22805.25 22674.89 196.26 o
-3 4 4 1049.20 1012.44 26.80 o
-2 4 4 131.08 123.95 12.95 o
-1 4 4 1651.50 1670.07 52.18 o
0 4 4 14731.44 14825.02 170.56 o
-4 5 4 21747.25 21330.67 203.58 o
-3 5 4 4306.83 4407.88 70.80 o
-2 5 4 5923.06 5886.43 108.31 o
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