#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:40:35 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181870 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/00/2020050.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_2020050
_cell_angle_alpha                80.688
_cell_angle_beta                 72.990
_cell_angle_gamma                80.080
_cell_length_a                   5.4000
_cell_length_b                   5.6093
_cell_length_c                   9.1323
_exptl_crystal_F_000             398.00
_reflns_d_resolution_high        0.6903
_cod_data_source_file            ky3085Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' sad in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            254.13
_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, -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 0 147.92 196.81 7.16 o
2 0 0 22662.35 23569.56 669.41 o
3 0 0 1030.46 1057.53 23.74 o
4 0 0 425.20 399.24 16.72 o
5 0 0 16.03 31.70 7.17 o
6 0 0 316.32 337.49 18.85 o
7 0 0 738.93 720.62 31.80 o
-7 1 0 3269.04 3225.63 114.42 o
-6 1 0 419.17 393.87 20.81 o
-5 1 0 12288.35 12154.83 276.14 o
-4 1 0 2059.62 2077.72 54.68 o
-3 1 0 11693.82 12114.90 226.13 o
-2 1 0 1435.44 1500.47 37.49 o
-1 1 0 208.10 314.62 9.59 o
0 1 0 1011.39 1150.84 30.40 o
1 1 0 2911.69 2863.56 54.26 o
2 1 0 6998.87 7471.67 139.20 o
3 1 0 20667.30 21729.36 401.87 o
4 1 0 1823.41 1844.36 48.80 o
5 1 0 13254.19 13463.61 303.61 o
6 1 0 73.52 75.13 14.58 o
7 1 0 1381.79 1395.45 47.63 o
-6 2 0 189.70 215.96 16.81 o
-5 2 0 223.83 215.48 14.72 o
-4 2 0 3418.85 3411.26 84.90 o
-3 2 0 3.29 16.30 4.43 o
-2 2 0 44570.45 46528.45 857.58 o
-1 2 0 68.73 103.41 17.82 o
0 2 0 40460.25 34900.42 1101.75 o
1 2 0 898.59 941.30 36.92 o
2 2 0 4524.63 4229.79 81.11 o
3 2 0 141.73 163.45 8.15 o
4 2 0 140.17 193.58 24.32 o
5 2 0 640.83 617.74 30.73 o
6 2 0 284.50 286.38 17.83 o
7 2 0 1093.19 1112.28 41.25 o
-6 3 0 1027.75 968.19 38.29 o
-5 3 0 8160.91 8081.37 191.76 o
-4 3 0 1363.04 1407.44 42.81 o
-3 3 0 1638.34 1672.22 38.38 o
-2 3 0 321.82 328.02 12.93 o
-1 3 0 1077.11 1112.55 27.38 o
0 3 0 4750.65 4564.56 98.73 o
1 3 0 13142.77 11978.05 437.66 o
2 3 0 1286.30 1242.25 28.28 o
3 3 0 19663.07 19181.67 434.51 o
4 3 0 266.13 249.05 13.68 o
5 3 0 5846.25 5860.22 140.38 o
6 3 0 9.36 8.84 7.94 o
7 3 0 137.34 177.06 28.69 o
-5 4 0 269.78 276.77 19.36 o
-4 4 0 8480.49 9131.47 214.97 o
-3 4 0 74.14 79.05 13.75 o
-2 4 0 23232.09 24317.86 452.41 o
-1 4 0 816.61 809.26 24.68 o
0 4 0 9350.80 9137.27 220.08 o
1 4 0 247.47 275.86 50.53 o
2 4 0 427.80 403.90 37.66 o
3 4 0 912.94 874.98 63.63 o
4 4 0 49.84 48.20 17.81 o
5 4 0 1757.26 1660.84 83.90 o
6 4 0 876.19 979.78 64.56 o
-3 5 0 561.63 638.78 38.81 o
-2 5 0 1091.50 945.38 49.54 o
-1 5 0 1571.66 1529.70 46.05 o
0 5 0 1675.07 1612.96 48.39 o
1 5 0 9677.97 9663.55 406.39 o
2 5 0 485.68 415.12 39.98 o
3 5 0 9383.13 9338.99 238.87 o
4 5 0 41.07 57.66 25.44 o
5 5 0 1144.39 1270.34 78.01 o
6 5 0 8.55 20.15 20.58 o
-3 6 0 128.75 139.55 20.29 o
-2 6 0 7240.10 7107.92 264.44 o
-1 6 0 266.20 299.76 27.46 o
0 6 0 2352.54 2074.57 92.26 o
1 6 0 126.93 117.95 19.69 o
2 6 0 53.73 72.79 18.24 o
3 6 0 1291.73 1327.06 71.04 o
4 6 0 89.68 141.84 34.91 o
5 6 0 699.81 729.84 67.76 o
-2 7 0 1040.57 958.95 56.80 o
-1 7 0 2337.12 2207.76 101.59 o
0 7 0 500.07 475.40 37.73 o
1 7 0 4915.30 4703.92 189.48 o
2 7 0 5.25 8.10 15.59 o
3 7 0 2400.84 2650.88 124.14 o
-3 -7 1 25.91 37.33 21.31 o
-2 -7 1 49.07 114.80 24.20 o
-1 -7 1 2029.35 1774.90 89.41 o
0 -7 1 175.94 185.02 26.86 o
1 -7 1 6869.86 6181.32 240.01 o
2 -7 1 1.88 8.35 13.38 o
-5 -6 1 27.46 39.67 27.65 o
-4 -6 1 3786.64 4421.99 187.43 o
-3 -6 1 635.94 682.05 37.04 o
-2 -6 1 3170.63 2979.35 161.03 o
-1 -6 1 796.74 751.16 55.03 o
0 -6 1 184.23 188.11 24.22 o
1 -6 1 107.36 108.30 19.44 o
2 -6 1 277.17 301.64 29.72 o
3 -6 1 398.72 422.00 34.51 o
-6 -5 1 201.74 204.59 38.58 o
-5 -5 1 33.24 34.90 23.86 o
-4 -5 1 2.30 -10.14 21.56 o
-3 -5 1 689.37 675.99 34.20 o
-2 -5 1 144.68 167.83 32.21 o
-1 -5 1 9379.10 9171.84 229.90 o
0 -5 1 37.58 50.76 10.55 o
1 -5 1 18033.44 17569.68 417.90 o
2 -5 1 232.09 222.38 15.52 o
3 -5 1 4421.75 4381.95 114.28 o
-6 -4 1 3004.87 3135.78 140.97 o
-5 -4 1 640.56 640.37 48.89 o
-4 -4 1 6872.38 6554.17 240.95 o
-3 -4 1 923.81 880.37 35.60 o
-2 -4 1 2058.08 1951.65 61.74 o
-1 -4 1 191.98 172.81 15.89 o
0 -4 1 140.03 128.74 12.49 o
1 -4 1 124.20 138.39 20.40 o
2 -4 1 6172.62 6245.95 123.98 o
3 -4 1 2256.71 2238.67 51.37 o
4 -4 1 11950.82 12465.24 286.71 o
5 -4 1 566.19 569.16 28.12 o
6 -4 1 5336.10 5673.18 146.71 o
-6 -3 1 16.21 6.86 15.85 o
-5 -3 1 43.16 42.83 17.51 o
-4 -3 1 363.05 404.02 18.05 o
-3 -3 1 5173.22 5148.28 121.53 o
-2 -3 1 76.57 94.22 11.45 o
-1 -3 1 37806.32 34362.91 1425.55 o
0 -3 1 401.88 403.65 35.14 o
1 -3 1 20871.20 20628.68 382.70 o
2 -3 1 685.71 668.59 19.30 o
3 -3 1 1168.04 1153.13 28.92 o
4 -3 1 150.29 157.70 18.76 o
5 -3 1 321.68 349.05 19.87 o
6 -3 1 751.56 717.23 31.94 o
-7 -2 1 206.97 219.71 18.85 o
-6 -2 1 6359.46 6578.62 160.25 o
-5 -2 1 1133.37 1105.67 36.45 o
-4 -2 1 7856.25 7811.30 180.28 o
-3 -2 1 1393.19 1381.56 37.62 o
-2 -2 1 183.46 178.82 14.41 o
-1 -2 1 265.32 361.38 14.07 o
0 -2 1 2827.59 2975.62 76.46 o
1 -2 1 7167.31 7582.39 142.04 o
2 -2 1 24407.28 25123.41 463.38 o
3 -2 1 1475.42 1498.57 33.77 o
4 -2 1 20295.40 20337.74 451.32 o
5 -2 1 15.73 25.87 7.82 o
6 -2 1 4183.41 4002.46 104.10 o
7 -2 1 15.33 18.83 15.77 o
-7 -1 1 35.31 39.99 11.03 o
-6 -1 1 186.18 210.25 15.96 o
-5 -1 1 812.31 826.97 29.49 o
-4 -1 1 317.95 329.11 15.95 o
-3 -1 1 21455.93 22272.80 411.62 o
-2 -1 1 117.16 155.60 8.41 o
-1 -1 1 64582.45 68185.08 2054.56 o
0 -1 1 1100.52 1105.76 31.98 o
1 -1 1 18307.18 18960.38 348.72 o
2 -1 1 14.56 20.58 4.19 o
3 -1 1 347.05 393.05 14.89 o
4 -1 1 1405.25 1181.22 129.85 o
5 -1 1 1043.25 995.63 59.92 o
6 -1 1 2221.66 2074.05 80.30 o
7 -1 1 3174.61 3091.88 86.30 o
-7 0 1 784.09 770.66 34.08 o
-6 0 1 5641.61 5748.98 141.49 o
-5 0 1 1285.30 1230.47 38.69 o
-4 0 1 1561.21 1311.86 38.15 o
-3 0 1 301.03 301.36 13.57 o
-2 0 1 1033.50 1171.39 31.09 o
-1 0 1 6851.93 7161.66 158.78 o
1 0 1 3917.79 3662.45 135.01 o
2 0 1 32131.94 30961.04 1227.58 o
3 0 1 213.33 220.89 9.46 o
4 0 1 18855.14 18839.94 416.46 o
5 0 1 66.53 67.65 9.57 o
6 0 1 1496.39 1440.34 44.77 o
7 0 1 89.00 85.30 11.90 o
-7 1 1 112.31 140.60 15.86 o
-6 1 1 502.67 493.74 24.17 o
-5 1 1 5903.55 5782.03 139.00 o
-4 1 1 80.89 99.63 27.36 o
-3 1 1 37103.06 37831.90 693.89 o
-2 1 1 3137.40 3363.32 78.80 o
-1 1 1 35845.12 38127.52 702.64 o
0 1 1 580.97 664.04 20.59 o
1 1 1 3168.47 3206.29 96.25 o
2 1 1 2029.29 2031.22 50.89 o
3 1 1 1131.98 1177.00 27.74 o
4 1 1 3366.46 3420.45 71.03 o
5 1 1 2710.22 2708.58 69.31 o
6 1 1 1387.27 1391.04 43.45 o
7 1 1 4143.55 4170.56 109.08 o
-6 2 1 2781.04 2807.65 79.20 o
-5 2 1 742.71 653.67 26.71 o
-4 2 1 794.80 777.96 27.56 o
-3 2 1 2433.39 2445.82 51.07 o
-2 2 1 1867.07 1948.84 40.80 o
-1 2 1 11297.26 11925.74 222.24 o
0 2 1 24477.01 22822.74 423.94 o
1 2 1 789.33 763.63 18.51 o
2 2 1 40952.85 38883.68 714.39 o
3 2 1 15.82 24.14 4.13 o
4 2 1 9224.83 9275.05 209.88 o
5 2 1 174.62 163.29 11.99 o
6 2 1 49.06 43.14 8.87 o
7 2 1 336.53 346.41 21.14 o
-6 3 1 181.01 195.31 17.29 o
-5 3 1 8261.44 8294.78 209.72 o
-4 3 1 289.54 299.05 17.09 o
-3 3 1 19376.18 20033.02 374.08 o
-2 3 1 1394.41 1535.58 35.06 o
-1 3 1 8860.89 9083.57 173.12 o
0 3 1 19.88 39.83 8.19 o
1 3 1 597.29 609.38 17.01 o
2 3 1 4401.32 4170.98 115.26 o
3 3 1 232.48 248.84 11.65 o
4 3 1 3725.80 3729.23 239.62 o
5 3 1 4880.76 5083.05 122.61 o
6 3 1 639.44 657.88 27.05 o
7 3 1 3011.41 3171.91 87.94 o
-5 4 1 211.02 200.00 31.25 o
-4 4 1 1079.94 1134.17 63.76 o
-3 4 1 3590.59 3625.94 76.88 o
-2 4 1 5239.69 5515.08 110.80 o
-1 4 1 1218.72 1175.65 30.70 o
0 4 1 19523.20 17904.43 335.22 o
1 4 1 29.60 25.53 5.06 o
2 4 1 19197.43 17165.22 413.47 o
3 4 1 29.98 23.54 8.75 o
4 4 1 906.03 919.72 50.59 o
6 4 1 162.76 155.60 25.92 o
-5 5 1 6490.08 7033.82 262.68 o
-4 5 1 717.12 823.85 65.04 o
-3 5 1 5800.42 6198.46 350.10 o
-2 5 1 104.58 116.53 16.75 o
-1 5 1 1645.09 1452.21 65.58 o
0 5 1 2501.01 2241.09 92.62 o
1 5 1 141.58 166.14 19.06 o
2 5 1 4061.22 3683.61 124.22 o
3 5 1 1988.18 2000.33 134.01 o
4 5 1 1395.41 1496.91 55.14 o
5 5 1 3907.58 4038.15 168.02 o
6 5 1 49.49 79.35 24.93 o
-2 6 1 5284.30 5139.87 196.35 o
-1 6 1 132.42 123.02 18.59 o
0 6 1 10935.77 10287.44 370.60 o
1 6 1 53.99 66.35 15.90 o
2 6 1 2408.10 2249.10 100.14 o
3 6 1 13.57 10.14 13.00 o
4 6 1 50.75 60.26 20.41 o
-2 7 1 167.32 194.34 25.15 o
-1 7 1 199.05 203.49 25.54 o
0 7 1 2025.75 1938.93 91.90 o
1 7 1 300.81 320.46 32.20 o
2 7 1 1956.82 1939.97 95.23 o
3 7 1 2400.15 2491.80 117.24 o
4 7 1 128.61 156.85 30.13 o
1 8 1 64.65 76.37 21.99 o
2 8 1 162.20 169.74 28.43 o
-3 -7 2 464.74 609.58 54.61 o
-2 -7 2 120.97 104.38 24.72 o
-1 -7 2 40.07 53.73 20.37 o
0 -7 2 13.58 22.41 17.64 o
1 -7 2 602.05 636.49 48.70 o
2 -7 2 558.33 519.99 43.66 o
-4 -6 2 780.56 820.51 62.53 o
-3 -6 2 54.81 100.05 22.93 o
-2 -6 2 6768.86 6704.57 181.00 o
-1 -6 2 30.24 18.01 13.31 o
0 -6 2 6972.83 7179.99 187.11 o
1 -6 2 533.30 514.26 27.36 o
2 -6 2 1676.45 1647.01 81.40 o
3 -6 2 10.70 15.38 15.00 o
-5 -5 2 1597.26 1595.81 93.99 o
-4 -5 2 420.98 434.82 47.02 o
-3 -5 2 70.12 67.50 14.37 o
-2 -5 2 4.83 29.17 12.45 o
-1 -5 2 134.78 143.63 17.09 o
0 -5 2 1656.81 1706.41 75.77 o
1 -5 2 6483.29 6228.65 159.29 o
2 -5 2 988.96 988.01 36.31 o
3 -5 2 12753.38 12548.30 304.24 o
4 -5 2 60.78 77.68 11.22 o
-6 -4 2 75.29 100.92 28.08 o
-5 -4 2 170.69 175.13 30.91 o
-4 -4 2 4603.74 4642.60 183.23 o
-3 -4 2 11.92 26.61 17.70 o
-2 -4 2 15875.04 15659.28 380.21 o
-1 -4 2 2023.07 1908.44 91.96 o
0 -4 2 10533.95 11045.92 270.63 o
1 -4 2 293.12 284.92 18.49 o
2 -4 2 311.82 283.03 23.51 o
3 -4 2 1329.64 1331.93 42.60 o
4 -4 2 467.08 492.98 19.53 o
5 -4 2 1496.91 1484.16 49.83 o
6 -4 2 3475.16 3841.04 248.74 o
-6 -3 2 494.92 445.85 43.06 o
-5 -3 2 993.19 991.31 61.14 o
-4 -3 2 84.64 51.40 17.18 o
-3 -3 2 201.81 147.77 23.16 o
-2 -3 2 1739.41 1663.13 52.28 o
-1 -3 2 3283.71 3284.05 161.81 o
0 -3 2 3984.02 4123.94 113.95 o
1 -3 2 25883.22 26097.54 482.81 o
2 -3 2 485.75 479.75 15.87 o
3 -3 2 21353.72 20895.54 421.97 o
4 -3 2 16.66 15.98 5.96 o
5 -3 2 3779.20 3639.72 94.54 o
6 -3 2 148.26 161.56 15.79 o
-6 -2 2 1402.52 1448.18 48.48 o
-5 -2 2 126.42 151.41 13.50 o
-4 -2 2 10652.01 10650.00 243.19 o
-3 -2 2 1920.68 1806.85 62.81 o
-2 -2 2 21973.60 21396.94 395.21 o
-1 -2 2 913.30 899.74 22.18 o
0 -2 2 4293.07 4217.59 110.52 o
1 -2 2 3430.57 3422.16 67.26 o
2 -2 2 242.47 241.37 10.11 o
3 -2 2 3836.62 3683.98 73.76 o
4 -2 2 3012.16 2962.45 62.22 o
5 -2 2 2484.72 2340.27 63.92 o
6 -2 2 6979.17 6803.46 164.52 o
7 -2 2 939.52 887.80 36.68 o
-7 -1 2 1536.71 1584.92 55.31 o
-6 -1 2 655.05 641.81 29.34 o
-5 -1 2 454.06 441.62 21.53 o
-4 -1 2 664.48 704.18 36.54 o
-3 -1 2 909.02 928.85 37.68 o
-2 -1 2 7362.33 7312.22 137.77 o
-1 -1 2 25365.78 26141.34 508.40 o
0 -1 2 339.29 304.62 13.76 o
1 -1 2 48294.71 47277.39 1088.28 o
2 -1 2 916.84 1017.76 23.52 o
3 -1 2 19477.02 19291.09 358.13 o
4 -1 2 276.63 250.83 17.84 o
5 -1 2 569.21 531.34 21.71 o
6 -1 2 704.88 668.31 27.39 o
7 -1 2 47.39 39.85 10.38 o
-7 0 2 440.24 483.85 67.49 o
-6 0 2 3371.57 3346.54 90.79 o
-5 0 2 103.20 122.86 12.25 o
-4 0 2 18549.57 19423.73 432.48 o
-3 0 2 2452.84 2577.83 64.67 o
-2 0 2 17108.95 18104.86 398.47 o
-1 0 2 581.00 555.23 23.78 o
0 0 2 553.55 629.36 28.59 o
1 0 2 12904.67 12726.05 236.98 o
2 0 2 1730.41 1730.60 45.48 o
3 0 2 7618.02 7315.52 139.76 o
4 0 2 13444.64 13186.41 248.20 o
5 0 2 2615.96 2477.82 64.16 o
6 0 2 8120.43 7774.57 182.72 o
7 0 2 66.37 62.89 10.68 o
-6 1 2 0.24 -0.42 8.48 o
-5 1 2 552.52 529.00 23.89 o
-4 1 2 3173.31 3165.03 80.38 o
-3 1 2 3865.15 3962.39 94.99 o
-2 1 2 3910.50 4040.44 78.34 o
-1 1 2 25313.00 26582.97 490.12 o
0 1 2 146.70 260.58 14.27 o
1 1 2 55017.03 51708.69 954.04 o
2 1 2 147.24 150.83 6.48 o
3 1 2 6674.48 6438.56 152.30 o
4 1 2 515.29 455.11 16.29 o
5 1 2 222.75 180.49 12.17 o
6 1 2 2379.93 2205.66 73.78 o
7 1 2 47.53 53.39 11.61 o
-6 2 2 6006.34 5851.04 147.87 o
-5 2 2 1201.97 1181.97 40.17 o
-4 2 2 10916.76 10873.58 248.77 o
-3 2 2 296.96 311.59 15.51 o
-2 2 2 4883.14 4944.97 95.97 o
-1 2 2 3880.73 3847.39 75.72 o
0 2 2 1602.26 1668.19 60.58 o
1 2 2 6001.60 5622.44 131.30 o
2 2 2 7359.16 7439.00 139.81 o
3 2 2 7068.48 7097.48 135.18 o
4 2 2 11909.80 12209.36 231.21 o
5 2 2 304.41 297.27 15.83 o
6 2 2 4840.10 4808.16 118.14 o
7 2 2 21.46 22.13 8.97 o
-6 3 2 923.53 864.14 58.40 o
-5 3 2 1058.03 1089.68 39.21 o
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-3 3 2 8412.89 8617.96 199.47 o
-2 3 2 281.63 278.96 11.73 o
-1 3 2 28634.61 29636.09 548.81 o
0 3 2 19.60 53.36 10.12 o
1 3 2 16125.12 15408.35 302.80 o
2 3 2 258.43 249.59 10.91 o
3 3 2 553.05 508.87 15.47 o
4 3 2 2766.13 2847.50 60.31 o
5 3 2 33.19 41.22 9.93 o
6 3 2 2913.56 3002.22 79.46 o
7 3 2 473.03 472.76 34.31 o
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1 4 2 10921.26 10531.94 198.04 o
2 4 2 7296.71 6524.20 162.54 o
3 4 2 1123.08 1103.63 32.19 o
4 4 2 7792.21 7690.46 289.69 o
5 4 2 82.99 60.72 8.65 o
6 4 2 886.69 872.99 54.95 o
7 4 2 79.28 105.26 24.59 o
-4 5 2 962.46 1086.94 77.61 o
-3 5 2 8015.79 9044.29 320.23 o
-2 5 2 64.60 116.38 42.17 o
-1 5 2 12149.43 11509.79 303.60 o
0 5 2 198.08 229.59 21.41 o
1 5 2 2810.64 2562.32 104.18 o
2 5 2 372.07 330.17 26.33 o
3 5 2 58.32 66.91 15.77 o
4 5 2 3619.77 3957.65 113.62 o
5 5 2 74.46 50.80 20.37 o
6 5 2 1492.04 1649.69 91.86 o
-2 6 2 839.34 823.79 47.51 o
-1 6 2 5230.26 4941.23 189.40 o
0 6 2 1802.07 1675.76 77.71 o
1 6 2 2810.60 2716.86 114.51 o
2 6 2 5112.85 4851.82 187.95 o
3 6 2 21.72 17.30 14.36 o
4 6 2 2581.27 2725.98 121.70 o
-2 7 2 103.11 100.07 19.86 o
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0 7 2 19.72 11.80 12.36 o
1 7 2 120.63 120.28 20.76 o
2 7 2 1684.05 1763.50 87.56 o
3 7 2 13.95 15.77 15.21 o
4 7 2 2025.65 2209.61 110.69 o
1 8 2 135.79 144.67 25.06 o
2 8 2 2059.23 2021.51 103.39 o
-2 -7 3 314.33 266.25 37.27 o
-1 -7 3 2344.78 2435.19 120.20 o
0 -7 3 166.99 130.74 27.03 o
1 -7 3 186.67 188.22 29.84 o
2 -7 3 354.06 400.50 40.73 o
-4 -6 3 18.17 12.83 22.07 o
-3 -6 3 359.79 401.22 42.19 o
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-1 -6 3 819.33 868.58 43.17 o
0 -6 3 5394.04 5370.92 149.33 o
1 -6 3 123.82 148.36 17.51 o
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