#------------------------------------------------------------------------------
#$Date: 2016-12-07 03:55:57 +0200 (Wed, 07 Dec 2016) $
#$Revision: 188983 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/06/2020686.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_2020686
_cell_angle_alpha                108.064
_cell_angle_beta                 94.174
_cell_angle_gamma                95.366
_cell_length_a                   6.4606
_cell_length_b                   8.2346
_cell_length_c                   12.3451
_exptl_crystal_F_000             324.00
_reflns_d_resolution_high        0.7750
_cod_data_source_file            ku31883sup4.hkl
_cod_data_source_block           3
_shelx_title                     ' eb582 in P1                 New: New: P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            169.78
_shelx_f_squared_multiplier      1.000
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 3741.92 3947.28 38.93 o
2 0 0 188.15 189.78 3.16 o
3 0 0 2660.24 2556.68 23.91 o
4 0 0 4696.23 4577.72 41.34 o
5 0 0 275.03 282.57 5.91 o
6 0 0 596.42 558.53 11.79 o
7 0 0 940.51 941.71 17.45 o
8 0 0 601.49 637.92 27.61 o
-8 1 0 293.03 314.48 12.95 o
-7 1 0 281.01 299.34 9.26 o
-6 1 0 2690.71 2701.30 34.18 o
-5 1 0 159.24 156.11 5.42 o
-4 1 0 0.44 1.06 0.94 o
-3 1 0 3458.63 3551.41 31.95 o
-2 1 0 10287.54 10419.31 90.15 o
-1 1 0 107.11 115.85 1.77 o
0 1 0 52.77 40.85 3.26 o
1 1 0 5530.27 5712.17 94.32 o
2 1 0 12230.51 12143.30 119.20 o
3 1 0 98.99 86.67 2.99 o
4 1 0 106.12 83.09 2.89 o
5 1 0 1314.21 1285.98 15.72 o
6 1 0 957.30 987.18 13.99 o
7 1 0 2.06 1.97 1.72 o
8 1 0 605.84 645.82 19.82 o
-8 2 0 705.17 751.87 20.86 o
-7 2 0 1211.77 1214.77 20.83 o
-6 2 0 53.91 63.00 9.31 o
-5 2 0 2132.33 2132.01 32.84 o
-4 2 0 4205.59 4119.35 68.59 o
-3 2 0 262.79 242.59 4.33 o
-2 2 0 143.83 131.68 2.46 o
-1 2 0 21123.19 21486.11 293.21 o
0 2 0 28824.12 28167.46 330.28 o
1 2 0 856.18 883.83 9.03 o
2 2 0 1917.53 1911.25 18.23 o
3 2 0 4431.78 4340.42 38.84 o
4 2 0 1964.09 1899.07 20.19 o
5 2 0 50.00 50.38 3.13 o
6 2 0 1523.39 1472.80 18.64 o
7 2 0 307.48 318.41 9.43 o
-8 3 0 0.28 4.70 2.91 o
-7 3 0 1096.80 1154.76 20.60 o
-6 3 0 1433.49 1492.74 25.83 o
-5 3 0 54.01 51.06 3.97 o
-4 3 0 1214.29 1268.60 22.94 o
-3 3 0 5164.59 5158.74 62.12 o
-2 3 0 2784.93 2731.52 29.61 o
-1 3 0 855.40 929.86 11.53 o
0 3 0 3159.47 3323.20 29.11 o
1 3 0 4699.87 4520.15 38.99 o
2 3 0 3582.94 3683.92 33.05 o
3 3 0 8.54 10.56 1.27 o
4 3 0 1084.38 1041.13 13.27 o
5 3 0 996.91 991.71 13.72 o
6 3 0 246.98 252.44 10.98 o
7 3 0 261.73 265.03 8.88 o
-7 4 0 399.59 403.73 11.50 o
-6 4 0 143.15 144.08 6.38 o
-5 4 0 2527.49 2467.24 31.87 o
-4 4 0 1958.11 1937.44 25.26 o
-3 4 0 34.16 41.05 1.82 o
-2 4 0 3030.67 3000.45 27.90 o
-1 4 0 14502.22 14857.00 164.01 o
0 4 0 3594.33 3734.70 39.61 o
1 4 0 306.49 298.76 4.98 o
2 4 0 2520.28 2461.75 23.81 o
3 4 0 2196.76 2106.65 34.55 o
4 4 0 659.04 662.91 10.16 o
5 4 0 893.76 865.88 15.25 o
6 4 0 895.46 871.82 19.94 o
7 4 0 116.98 123.47 11.16 o
-7 5 0 1670.93 1679.87 27.45 o
-6 5 0 124.24 144.07 6.55 o
-5 5 0 23.75 34.71 3.53 o
-4 5 0 2107.35 2137.28 32.84 o
-3 5 0 3813.48 3781.06 35.47 o
-2 5 0 119.46 104.84 3.40 o
-1 5 0 2013.54 1989.60 20.12 o
0 5 0 3695.69 3702.49 33.85 o
1 5 0 2987.49 2947.54 27.89 o
2 5 0 106.25 126.79 4.56 o
3 5 0 99.24 95.05 4.27 o
4 5 0 1115.54 1093.85 17.54 o
5 5 0 453.61 468.92 13.91 o
6 5 0 0.17 3.11 1.96 o
-7 6 0 46.68 47.25 5.78 o
-6 6 0 894.43 892.92 17.74 o
-5 6 0 1303.68 1294.95 21.23 o
-4 6 0 65.23 71.66 7.06 o
-3 6 0 34.62 33.96 3.07 o
-2 6 0 5460.95 5527.24 50.10 o
-1 6 0 4499.06 4557.92 56.04 o
0 6 0 111.42 116.37 4.52 o
1 6 0 1241.11 1249.02 18.19 o
2 6 0 2061.38 2010.82 26.26 o
3 6 0 522.71 502.29 10.92 o
4 6 0 5.80 10.91 2.48 o
5 6 0 637.53 629.78 17.34 o
6 6 0 428.14 411.10 19.53 o
-6 7 0 0.46 5.23 4.35 o
-5 7 0 446.08 450.25 11.72 o
-4 7 0 2085.02 2055.56 28.68 o
-3 7 0 605.86 600.45 12.18 o
-2 7 0 114.80 118.03 5.64 o
-1 7 0 1991.02 1967.34 25.99 o
0 7 0 2585.51 2446.35 30.78 o
1 7 0 522.98 546.65 11.46 o
2 7 0 17.36 19.69 2.71 o
3 7 0 490.82 515.31 15.05 o
4 7 0 367.24 359.04 12.98 o
5 7 0 45.84 36.04 6.75 o
-5 8 0 225.88 226.07 8.50 o
-4 8 0 20.48 19.11 5.43 o
-3 8 0 713.09 735.73 28.93 o
-2 8 0 2272.08 2234.87 30.34 o
-1 8 0 906.91 884.75 15.87 o
0 8 0 150.24 155.01 6.19 o
1 8 0 1368.01 1296.31 20.83 o
2 8 0 673.22 668.88 14.16 o
3 8 0 133.85 133.63 8.10 o
4 8 0 531.45 544.76 17.13 o
-4 9 0 847.12 835.46 29.37 o
-3 9 0 41.65 50.84 6.22 o
-2 9 0 1095.24 1053.01 24.60 o
-1 9 0 932.30 873.07 16.69 o
0 9 0 818.69 767.11 16.82 o
1 9 0 46.32 47.30 4.62 o
2 9 0 181.16 201.29 9.96 o
-2 10 0 718.14 693.03 20.24 o
-1 10 0 11.45 5.83 2.54 o
0 10 0 539.13 563.08 16.60 o
0 -10 1 351.33 395.96 25.14 o
1 -10 1 13.43 21.15 3.15 o
2 -10 1 471.46 488.79 16.48 o
-3 -9 1 156.81 155.52 9.24 o
-2 -9 1 431.28 456.58 15.05 o
-1 -9 1 10.46 13.02 2.58 o
0 -9 1 579.95 560.99 13.35 o
1 -9 1 1127.93 1125.13 19.37 o
2 -9 1 303.95 309.55 23.05 o
3 -9 1 157.99 149.47 8.62 o
4 -9 1 722.53 696.61 19.83 o
-4 -8 1 110.35 99.02 8.51 o
-3 -8 1 208.73 195.67 9.65 o
-2 -8 1 846.92 831.31 20.04 o
-1 -8 1 1277.65 1216.56 19.65 o
0 -8 1 27.58 36.72 3.53 o
1 -8 1 82.88 84.33 4.96 o
2 -8 1 940.81 964.30 16.48 o
3 -8 1 944.86 919.27 24.52 o
4 -8 1 7.59 10.45 2.24 o
5 -8 1 348.05 333.75 14.85 o
-5 -7 1 1.08 4.11 2.49 o
-4 -7 1 326.49 328.21 12.25 o
-3 -7 1 637.74 620.14 16.51 o
-2 -7 1 283.82 277.62 7.82 o
-1 -7 1 335.80 318.21 12.63 o
0 -7 1 2148.67 2099.65 27.17 o
1 -7 1 1540.13 1582.04 21.94 o
2 -7 1 66.32 67.50 3.03 o
3 -7 1 334.48 345.90 12.82 o
4 -7 1 2408.34 2344.01 38.74 o
5 -7 1 465.21 469.49 11.84 o
6 -7 1 385.00 388.60 11.33 o
-6 -6 1 366.68 365.28 13.49 o
-5 -6 1 537.11 544.53 15.99 o
-4 -6 1 4.56 10.10 2.80 o
-3 -6 1 637.75 624.24 13.05 o
-2 -6 1 2815.68 2811.93 33.58 o
-1 -6 1 1276.57 1286.94 18.29 o
0 -6 1 75.92 69.08 2.61 o
1 -6 1 1341.69 1320.80 15.28 o
2 -6 1 1413.79 1372.49 15.95 o
3 -6 1 455.47 442.02 7.67 o
4 -6 1 175.08 165.79 6.09 o
5 -6 1 1142.85 1096.57 18.86 o
6 -6 1 1368.62 1324.02 22.58 o
7 -6 1 110.48 117.71 12.19 o
-6 -5 1 14.84 14.28 3.30 o
-5 -5 1 301.23 305.60 12.19 o
-4 -5 1 311.68 321.88 15.44 o
-3 -5 1 1268.91 1258.30 15.11 o
-2 -5 1 28.45 26.43 1.90 o
-1 -5 1 1910.03 1859.13 19.05 o
0 -5 1 4966.87 5167.79 45.66 o
1 -5 1 1015.27 1039.70 12.16 o
2 -5 1 1350.92 1336.77 16.97 o
3 -5 1 2293.00 2308.23 28.18 o
4 -5 1 1840.26 1813.13 24.46 o
5 -5 1 13.97 13.97 2.36 o
6 -5 1 1734.37 1685.33 25.81 o
7 -5 1 2009.12 2011.60 38.10 o
-7 -4 1 314.91 326.59 12.04 o
-6 -4 1 976.25 976.88 21.39 o
-5 -4 1 361.77 357.90 7.66 o
-4 -4 1 862.84 840.76 11.79 o
-3 -4 1 1855.19 1890.93 19.92 o
-2 -4 1 4406.39 4387.37 39.39 o
-1 -4 1 850.62 897.50 13.10 o
0 -4 1 2092.09 2182.63 20.74 o
1 -4 1 2055.49 1975.97 19.21 o
2 -4 1 1935.24 1972.33 19.59 o
3 -4 1 8.47 8.10 2.05 o
4 -4 1 1949.89 1949.48 25.20 o
5 -4 1 1457.57 1410.23 21.23 o
6 -4 1 541.37 558.67 17.74 o
7 -4 1 21.54 33.63 5.19 o
-7 -3 1 91.07 92.16 5.81 o
-6 -3 1 339.27 331.21 7.69 o
-5 -3 1 707.17 736.29 11.25 o
-4 -3 1 1212.07 1184.79 14.49 o
-3 -3 1 118.41 125.96 4.37 o
-2 -3 1 1363.75 1320.20 13.88 o
-1 -3 1 4271.55 4309.44 37.21 o
0 -3 1 9974.16 10845.37 133.00 o
1 -3 1 15.84 14.14 1.06 o
2 -3 1 2558.15 2581.99 23.82 o
3 -3 1 6021.10 6258.44 54.13 o
4 -3 1 601.33 554.28 8.84 o
5 -3 1 744.33 758.73 14.02 o
6 -3 1 3650.19 3611.04 43.61 o
7 -3 1 1320.26 1347.30 28.35 o
8 -3 1 30.60 34.65 5.71 o
-7 -2 1 746.32 737.68 15.70 o
-6 -2 1 1281.60 1233.84 16.41 o
-5 -2 1 29.27 34.98 3.52 o
-4 -2 1 1581.54 1601.85 17.64 o
-3 -2 1 7687.32 7905.35 67.32 o
-2 -2 1 2161.26 2140.41 37.09 o
-1 -2 1 169.41 190.01 3.36 o
0 -2 1 3279.03 3541.63 44.42 o
1 -2 1 2161.20 2250.80 28.83 o
2 -2 1 636.30 646.03 7.42 o
3 -2 1 388.93 373.76 6.38 o
4 -2 1 3183.00 3176.04 30.18 o
5 -2 1 1601.39 1520.58 23.43 o
6 -2 1 101.74 103.02 5.62 o
7 -2 1 187.89 202.11 15.12 o
8 -2 1 1229.99 1275.39 42.00 o
-8 -1 1 98.33 109.18 9.40 o
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-6 -1 1 705.44 706.21 11.24 o
-5 -1 1 1460.62 1495.48 17.49 o
-4 -1 1 683.92 656.08 9.16 o
-3 -1 1 261.07 246.31 4.87 o
-2 -1 1 6434.50 6367.02 54.58 o
-1 -1 1 14309.37 14168.48 126.10 o
0 -1 1 1133.71 1298.08 17.46 o
1 -1 1 6.63 9.60 0.72 o
2 -1 1 7074.05 7069.46 60.16 o
3 -1 1 3537.98 3580.85 40.21 o
4 -1 1 6.20 8.40 1.22 o
5 -1 1 2492.36 2456.25 26.12 o
6 -1 1 4927.22 4869.11 54.52 o
7 -1 1 207.47 225.66 10.06 o
8 -1 1 71.30 64.12 7.05 o
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-6 0 1 145.50 146.92 10.23 o
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-4 0 1 4400.95 4439.54 40.27 o
-3 0 1 6883.27 7171.24 89.61 o
-2 0 1 450.67 484.55 6.68 o
-1 0 1 5972.28 5913.25 131.58 o
0 0 1 5691.72 5642.06 93.47 o
1 0 1 118.20 129.13 3.97 o
2 0 1 0.34 2.33 2.91 o
3 0 1 1923.22 1811.40 17.83 o
4 0 1 2931.62 2902.38 27.88 o
5 0 1 73.74 71.28 2.98 o
6 0 1 274.96 272.32 6.49 o
7 0 1 1099.32 1106.49 24.09 o
8 0 1 974.89 1027.16 24.60 o
-8 1 1 1.78 3.09 3.29 o
-7 1 1 621.38 660.97 14.35 o
-6 1 1 805.72 847.58 15.52 o
-5 1 1 1239.03 1248.09 42.90 o
-4 1 1 3.17 8.50 2.50 o
-3 1 1 2556.40 2552.07 23.82 o
-2 1 1 9070.96 8839.68 88.78 o
-1 1 1 14435.52 14535.97 125.83 o
0 1 1 74.87 88.99 1.67 o
1 1 1 4382.67 4379.88 50.73 o
2 1 1 4733.86 4752.34 66.85 o
3 1 1 841.28 840.52 10.02 o
4 1 1 413.82 384.51 6.60 o
5 1 1 4522.25 4380.76 41.29 o
6 1 1 1671.95 1676.07 20.19 o
7 1 1 29.67 42.27 9.84 o
8 1 1 412.06 425.13 14.74 o
-8 2 1 714.05 774.19 21.17 o
-7 2 1 1147.14 1183.81 20.66 o
-6 2 1 377.72 406.97 10.39 o
-5 2 1 1427.72 1463.89 21.36 o
-4 2 1 4168.24 4243.09 99.18 o
-3 2 1 3159.99 3364.65 36.62 o
-2 2 1 978.97 1007.12 13.05 o
-1 2 1 8648.00 8834.79 75.88 o
0 2 1 1798.89 1804.35 19.33 o
1 2 1 654.23 668.72 8.17 o
2 2 1 1764.83 1803.17 17.44 o
3 2 1 2914.41 2780.21 32.81 o
4 2 1 666.72 656.88 9.50 o
5 2 1 226.85 225.42 5.61 o
6 2 1 595.57 591.09 10.42 o
7 2 1 1107.91 1120.78 19.14 o
-8 3 1 167.00 177.73 11.16 o
-7 3 1 741.61 777.50 20.19 o
-6 3 1 1122.58 1148.13 19.55 o
-5 3 1 318.41 313.89 8.47 o
-4 3 1 1298.16 1308.49 34.65 o
-3 3 1 2910.80 2776.29 31.65 o
-2 3 1 6477.11 6760.05 57.88 o
-1 3 1 3097.26 3352.62 29.70 o
0 3 1 83.60 61.88 2.80 o
1 3 1 6532.02 6544.35 64.77 o
2 3 1 1656.44 1639.82 16.57 o
3 3 1 12.81 14.63 1.45 o
4 3 1 2040.91 1972.18 21.26 o
5 3 1 2766.85 2718.30 28.51 o
6 3 1 177.89 168.45 5.50 o
7 3 1 95.14 128.96 9.84 o
-7 4 1 66.04 68.15 5.79 o
-6 4 1 592.86 590.12 13.39 o
-5 4 1 3012.34 2935.97 48.18 o
-4 4 1 2030.58 2083.79 26.96 o
-3 4 1 89.79 100.31 2.66 o
-2 4 1 4249.69 4323.91 38.73 o
-1 4 1 5148.90 5232.55 45.62 o
0 4 1 165.09 142.22 3.96 o
1 4 1 21.58 38.35 2.70 o
2 4 1 2188.97 2175.05 21.40 o
3 4 1 2806.39 2696.96 26.68 o
4 4 1 149.17 160.91 5.64 o
5 4 1 458.82 446.60 15.18 o
6 4 1 805.04 815.23 15.77 o
7 4 1 568.43 603.81 24.38 o
-7 5 1 683.97 711.08 16.33 o
-6 5 1 374.11 371.83 17.99 o
-5 5 1 0.21 16.13 13.51 o
-4 5 1 2410.57 2324.42 29.99 o
-3 5 1 3860.94 3787.72 42.58 o
-2 5 1 894.70 941.30 18.02 o
-1 5 1 393.15 421.44 6.50 o
0 5 1 2097.56 2027.80 24.80 o
1 5 1 2298.08 2254.77 33.81 o
2 5 1 92.24 86.99 3.95 o
3 5 1 22.98 24.59 3.76 o
4 5 1 3013.53 2966.14 36.50 o
5 5 1 723.11 684.72 14.78 o
6 5 1 50.20 53.29 5.80 o
-7 6 1 30.57 28.28 4.34 o
-6 6 1 1219.01 1246.28 22.15 o
-5 6 1 1650.65 1633.91 25.07 o
-4 6 1 564.46 547.67 11.87 o
-3 6 1 355.96 354.70 12.93 o
-2 6 1 6448.67 6422.35 112.82 o
-1 6 1 1063.60 1050.93 15.99 o
0 6 1 1.46 7.66 1.74 o
1 6 1 334.42 347.97 10.19 o
2 6 1 1959.82 1886.65 25.54 o
3 6 1 275.72 261.93 7.84 o
4 6 1 342.57 355.52 9.71 o
5 6 1 469.89 475.93 15.05 o
-6 7 1 50.13 51.90 5.04 o
-5 7 1 401.52 388.52 10.94 o
-4 7 1 1905.62 1888.70 27.20 o
-3 7 1 1478.10 1435.97 28.03 o
-2 7 1 176.51 169.17 6.16 o
-1 7 1 182.46 184.81 6.18 o
0 7 1 1873.98 1861.54 25.53 o
1 7 1 250.53 257.79 7.69 o
2 7 1 0.36 4.88 2.10 o
3 7 1 540.65 534.28 12.36 o
4 7 1 797.14 776.88 19.94 o
-5 8 1 491.86 477.22 16.51 o
-4 8 1 9.71 10.02 2.75 o
-3 8 1 1627.70 1568.82 31.15 o
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-1 8 1 330.88 306.28 8.75 o
0 8 1 179.47 191.69 9.53 o
1 8 1 568.84 577.24 12.93 o
2 8 1 748.04 730.23 15.19 o
3 8 1 31.65 33.34 4.85 o
-4 9 1 996.98 974.45 25.02 o
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0 9 1 664.42 662.07 14.59 o
1 9 1 16.90 19.92 3.26 o
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-1 -10 2 415.22 436.54 16.59 o
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1 -10 2 1.13 2.04 2.00 o
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3 -10 2 323.80 316.04 13.19 o
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-1 -9 2 179.65 162.40 8.62 o
0 -9 2 785.45 792.41 22.65 o
1 -9 2 1131.85 1149.21 19.41 o
2 -9 2 163.06 168.62 7.95 o
3 -9 2 233.96 225.99 10.38 o
4 -9 2 1148.94 1148.64 31.72 o
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-3 -8 2 61.49 61.54 6.73 o
-2 -8 2 554.82 518.94 15.05 o
-1 -8 2 537.29 552.72 11.89 o
0 -8 2 184.18 189.25 6.55 o
1 -8 2 302.37 307.24 8.38 o
2 -8 2 1018.87 1041.22 17.23 o
3 -8 2 1036.56 1036.51 17.67 o
4 -8 2 30.10 34.26 3.75 o
5 -8 2 615.71 612.89 14.21 o
6 -8 2 979.90 988.26 28.05 o
-5 -7 2 148.46 138.24 8.51 o
-4 -7 2 799.10 828.93 20.45 o
-3 -7 2 1249.65 1223.49 35.54 o
-2 -7 2 42.24 40.59 3.49 o
-1 -7 2 1542.16 1456.71 20.75 o
0 -7 2 1579.03 1622.63 22.31 o
1 -7 2 1058.62 1055.59 14.34 o
2 -7 2 36.05 44.23 3.60 o
3 -7 2 1857.03 1837.88 25.15 o
4 -7 2 1892.84 1850.66 26.20 o
5 -7 2 214.19 196.95 8.06 o
6 -7 2 58.08 64.25 7.02 o
-6 -6 2 122.52 111.01 8.15 o
-5 -6 2 230.41 230.67 10.07 o
-4 -6 2 0.77 -0.43 1.55 o
-3 -6 2 1207.10 1188.19 21.49 o
-2 -6 2 768.37 755.26 12.97 o
-1 -6 2 728.68 716.68 9.95 o
0 -6 2 113.80 123.38 3.52 o
1 -6 2 2038.86 2056.72 23.27 o
2 -6 2 854.19 862.25 13.57 o
3 -6 2 1255.33 1233.31 15.57 o
4 -6 2 266.47 265.25 7.62 o
5 -6 2 2045.32 1988.69 27.91 o
6 -6 2 1040.91 1063.23 24.49 o
7 -6 2 10.00 8.50 3.67 o
-6 -5 2 5.32 9.54 2.91 o
-5 -5 2 592.51 593.93 21.29 o
-4 -5 2 987.62 976.75 16.65 o
-3 -5 2 2493.27 2445.30 25.35 o
-2 -5 2 1047.56 1022.64 12.43 o
-1 -5 2 3760.51 3851.73 35.23 o
0 -5 2 2048.69 2031.29 20.33 o
1 -5 2 649.66 665.11 8.90 o
2 -5 2 952.34 953.60 13.44 o
3 -5 2 3785.07 3804.19 35.66 o
4 -5 2 1273.53 1276.63 18.91 o
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