#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:00:21 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181900 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/00/2240017.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_2240017
_cell_angle_alpha                107.318
_cell_angle_beta                 91.590
_cell_angle_gamma                99.528
_cell_length_a                   5.2840
_cell_length_b                   11.0323
_cell_length_c                   14.9020
_exptl_crystal_F_000             372.00
_reflns_d_resolution_high        0.8393
_cod_data_source_file            tk5340Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 140330b_0m in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            110.65
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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 0 285.39 240.22 3.47 o
2 0 0 1010.27 986.38 12.90 o
3 0 0 10.16 7.35 0.79 o
4 0 0 188.63 201.47 3.87 o
5 0 0 0.96 1.50 0.45 o
-5 1 0 3.08 3.58 0.59 o
-4 1 0 34.03 33.65 1.69 o
-3 1 0 340.13 368.27 6.15 o
-2 1 0 19.30 24.82 0.99 o
-1 1 0 385.75 463.16 6.15 o
0 1 0 1420.82 1267.29 16.08 o
1 1 0 5611.08 4709.51 34.51 o
2 1 0 130.15 135.20 1.90 o
3 1 0 605.61 639.38 6.60 o
4 1 0 0.50 1.09 0.35 o
5 1 0 16.35 14.80 1.05 o
-5 2 0 169.20 167.85 4.47 o
-4 2 0 1.98 3.08 0.69 o
-3 2 0 60.07 61.54 1.99 o
-2 2 0 20.12 17.37 0.79 o
-1 2 0 12242.95 9844.46 89.49 o
0 2 0 2070.97 1935.59 22.59 o
1 2 0 450.08 431.60 4.21 o
2 2 0 757.90 793.90 6.17 o
3 2 0 28.63 22.09 0.61 o
4 2 0 107.03 97.04 2.11 o
5 2 0 0.33 -0.15 0.35 o
-6 3 0 0.94 1.49 0.79 o
-5 3 0 67.81 68.89 2.68 o
-4 3 0 85.95 88.84 2.78 o
-3 3 0 47.27 48.94 1.79 o
-2 3 0 1.47 3.48 1.14 o
-1 3 0 2738.09 2733.81 34.15 o
0 3 0 12.50 13.10 0.34 o
1 3 0 181.07 203.92 1.88 o
2 3 0 1444.03 1470.23 10.93 o
3 3 0 28.34 30.04 1.02 o
4 3 0 348.71 316.27 4.39 o
5 3 0 47.21 46.16 2.28 o
-6 4 0 0.87 0.17 0.52 o
-5 4 0 12.24 11.41 0.98 o
-4 4 0 33.61 33.70 1.26 o
-3 4 0 33.71 31.94 1.09 o
-2 4 0 21.34 23.13 1.09 o
-1 4 0 116.45 116.24 2.38 o
0 4 0 761.62 741.81 6.91 o
1 4 0 3375.46 3297.28 64.52 o
2 4 0 479.53 531.00 5.65 o
3 4 0 390.09 388.42 6.25 o
4 4 0 13.83 14.39 1.02 o
5 4 0 0.06 0.30 0.60 o
-6 5 0 27.74 31.86 1.57 o
-5 5 0 18.36 17.60 1.19 o
-4 5 0 117.01 111.44 2.38 o
-3 5 0 33.09 35.73 1.59 o
-2 5 0 1142.76 1170.51 15.68 o
-1 5 0 830.41 857.24 11.61 o
0 5 0 818.06 808.33 7.68 o
1 5 0 1186.47 1213.63 9.24 o
2 5 0 98.70 102.41 4.17 o
3 5 0 478.26 459.69 5.54 o
4 5 0 124.44 140.66 2.81 o
5 5 0 16.31 15.58 1.69 o
-5 6 0 0.18 0.69 0.69 o
-4 6 0 8.29 7.74 0.99 o
-3 6 0 0.04 -0.40 0.30 o
-2 6 0 9.98 12.61 0.99 o
-1 6 0 15.42 16.18 0.99 o
0 6 0 18.87 17.38 0.73 o
1 6 0 749.69 832.59 8.28 o
2 6 0 50.41 46.56 1.54 o
3 6 0 77.61 74.51 1.89 o
4 6 0 18.79 20.85 1.12 o
-5 7 0 37.98 43.97 2.28 o
-4 7 0 21.82 23.43 1.59 o
-3 7 0 102.63 93.61 2.88 o
-2 7 0 148.26 160.61 3.67 o
-1 7 0 186.36 175.40 3.77 o
0 7 0 142.59 151.05 2.42 o
1 7 0 128.74 115.49 2.18 o
2 7 0 11.47 9.16 0.73 o
3 7 0 3.83 9.53 1.59 o
4 7 0 9.07 10.32 1.39 o
-5 8 0 10.04 13.60 1.59 o
-4 8 0 0.01 -0.40 0.50 o
-3 8 0 11.27 9.93 1.09 o
-2 8 0 0.02 0.00 0.50 o
-1 8 0 40.81 47.55 1.99 o
0 8 0 346.99 362.11 4.56 o
1 8 0 7.14 8.36 1.24 o
2 8 0 129.21 134.50 3.67 o
3 8 0 16.87 15.72 1.09 o
4 8 0 13.77 13.30 1.59 o
-5 9 0 3.94 2.18 0.89 o
-4 9 0 14.49 14.79 1.49 o
-3 9 0 28.30 28.98 1.89 o
-2 9 0 9.56 10.72 1.19 o
-1 9 0 515.28 512.30 8.74 o
0 9 0 63.97 70.04 1.75 o
1 9 0 0.27 0.35 0.35 o
2 9 0 24.88 29.77 1.30 o
3 9 0 12.22 13.28 1.14 o
-4 10 0 2.47 6.25 1.19 o
-3 10 0 47.70 49.53 2.38 o
-2 10 0 1.33 0.69 0.69 o
-1 10 0 137.63 141.45 3.97 o
0 10 0 46.57 42.68 2.08 o
1 10 0 65.52 65.82 2.58 o
2 10 0 9.72 6.11 1.14 o
-3 11 0 1.91 1.19 0.79 o
-2 11 0 57.04 48.94 2.48 o
-1 11 0 18.48 20.25 1.89 o
0 11 0 2.26 1.19 0.69 o
1 11 0 2.34 1.29 0.74 o
-2 12 0 13.68 16.97 1.79 o
-1 12 0 21.06 24.32 1.99 o
0 12 0 14.85 20.55 1.99 o
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0 -12 1 0.01 1.49 0.79 o
1 -12 1 0.01 -0.10 0.69 o
2 -12 1 0.00 0.60 0.69 o
3 -12 1 2.94 2.58 0.99 o
-2 -11 1 49.37 45.01 4.17 o
-1 -11 1 91.31 86.13 2.25 o
0 -11 1 11.84 11.22 1.39 o
1 -11 1 234.73 236.45 5.56 o
2 -11 1 3.08 4.37 0.99 o
3 -11 1 12.72 13.40 1.59 o
4 -11 1 1.44 -0.89 0.60 o
-2 -10 1 0.00 -0.10 0.55 o
-1 -10 1 0.13 0.15 0.35 o
0 -10 1 3.62 4.00 0.59 o
1 -10 1 22.97 25.91 1.79 o
2 -10 1 57.22 57.57 2.48 o
3 -10 1 0.61 0.89 0.69 o
4 -10 1 0.22 -0.40 0.69 o
-3 -9 1 13.05 7.74 1.19 o
-2 -9 1 46.74 51.99 1.65 o
-1 -9 1 7.39 9.29 0.77 o
0 -9 1 555.81 564.10 10.97 o
1 -9 1 7.15 8.64 1.09 o
2 -9 1 98.75 99.56 3.08 o
3 -9 1 27.90 31.37 1.89 o
4 -9 1 21.70 19.75 1.59 o
5 -9 1 1.29 2.18 0.79 o
-4 -8 1 0.54 0.30 0.69 o
-3 -8 1 23.27 22.24 1.14 o
-2 -8 1 0.37 -0.15 0.45 o
-1 -8 1 129.34 130.73 2.63 o
0 -8 1 6.38 8.76 0.66 o
1 -8 1 170.24 182.55 4.07 o
2 -8 1 2.35 1.79 0.60 o
3 -8 1 165.02 162.59 4.07 o
4 -8 1 7.70 4.86 0.99 o
5 -8 1 22.62 22.23 1.69 o
-4 -7 1 0.04 -0.74 0.50 o
-3 -7 1 2.68 6.18 0.70 o
-2 -7 1 95.38 86.72 1.93 o
-1 -7 1 223.39 235.95 3.26 o
0 -7 1 27.10 28.18 1.89 o
1 -7 1 74.21 71.87 2.18 o
2 -7 1 94.76 104.92 2.78 o
3 -7 1 0.02 -0.50 0.40 o
4 -7 1 9.45 9.23 1.09 o
5 -7 1 16.25 14.19 1.59 o
-4 -6 1 71.49 69.09 2.88 o
-3 -6 1 34.14 31.04 1.23 o
-2 -6 1 232.59 233.68 3.30 o
-1 -6 1 445.13 462.41 4.14 o
0 -6 1 887.28 971.15 7.68 o
1 -6 1 287.84 289.45 4.96 o
2 -6 1 304.51 331.94 5.76 o
3 -6 1 38.47 37.52 1.69 o
4 -6 1 192.81 176.36 3.22 o
5 -6 1 106.56 109.58 6.20 o
-5 -5 1 0.11 -0.60 0.60 o
-4 -5 1 21.14 21.24 1.49 o
-3 -5 1 3.97 5.66 0.89 o
-2 -5 1 7.29 7.05 0.59 o
-1 -5 1 3.68 2.71 0.29 o
0 -5 1 264.35 306.47 3.38 o
1 -5 1 18.21 19.81 0.73 o
2 -5 1 79.03 83.48 2.28 o
3 -5 1 95.46 95.42 1.99 o
4 -5 1 23.64 19.87 1.09 o
5 -5 1 17.72 17.22 1.19 o
6 -5 1 22.44 22.64 1.36 o
-5 -4 1 28.38 24.82 1.79 o
-4 -4 1 248.43 265.44 5.46 o
-3 -4 1 0.17 -0.10 0.24 o
-2 -4 1 679.12 745.23 5.98 o
-1 -4 1 1355.61 1471.16 12.50 o
0 -4 1 2209.68 2115.86 15.32 o
1 -4 1 10.30 13.81 0.55 o
2 -4 1 233.75 211.64 2.91 o
3 -4 1 187.73 210.14 3.15 o
4 -4 1 276.54 283.50 5.76 o
5 -4 1 1.83 1.99 0.79 o
6 -4 1 6.81 10.82 1.07 o
-5 -3 1 7.77 11.12 1.39 o
-4 -3 1 36.94 43.95 1.40 o
-3 -3 1 105.62 103.93 1.96 o
-2 -3 1 150.89 196.58 2.86 o
-1 -3 1 59.87 54.18 1.04 o
0 -3 1 153.10 126.92 1.30 o
1 -3 1 1835.16 1850.16 13.90 o
2 -3 1 34.82 33.75 1.29 o
3 -3 1 386.50 343.55 6.06 o
4 -3 1 227.90 244.19 5.16 o
5 -3 1 103.30 104.92 3.47 o
6 -3 1 15.63 12.80 1.59 o
-5 -2 1 35.98 35.93 1.99 o
-4 -2 1 12.44 15.86 0.90 o
-3 -2 1 346.85 355.30 3.40 o
-2 -2 1 797.56 922.81 7.09 o
-1 -2 1 277.23 256.12 2.16 o
0 -2 1 2148.08 1958.77 15.56 o
1 -2 1 423.58 431.92 4.38 o
2 -2 1 0.14 0.20 0.20 o
3 -2 1 51.49 58.37 1.99 o
4 -2 1 2.26 3.67 0.79 o
5 -2 1 13.96 16.08 1.59 o
6 -2 1 5.82 6.06 1.29 o
-6 -1 1 52.47 51.32 2.58 o
-5 -1 1 0.30 0.60 0.60 o
-4 -1 1 106.91 105.96 2.14 o
-3 -1 1 0.00 0.42 0.24 o
-2 -1 1 2706.50 2620.05 29.28 o
-1 -1 1 843.26 851.26 8.98 o
0 -1 1 2402.16 2253.18 30.97 o
1 -1 1 355.22 323.03 3.37 o
2 -1 1 702.68 666.75 9.33 o
3 -1 1 386.42 374.62 6.35 o
4 -1 1 199.17 207.23 3.11 o
5 -1 1 8.81 7.95 0.77 o
6 -1 1 43.55 49.53 2.58 o
-5 0 1 0.25 0.44 0.38 o
-4 0 1 8.43 12.01 1.09 o
-3 0 1 4.88 2.98 0.50 o
-2 0 1 1216.00 1259.95 15.98 o
-1 0 1 5751.21 4486.30 56.28 o
1 0 1 1.57 1.59 0.14 o
2 0 1 71.17 58.30 1.09 o
3 0 1 0.77 1.04 0.55 o
4 0 1 12.58 11.89 0.80 o
5 0 1 12.68 12.02 0.95 o
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-4 1 1 84.08 80.60 2.58 o
-3 1 1 1851.82 1951.12 24.92 o
-2 1 1 554.23 549.22 7.64 o
-1 1 1 249.03 230.63 2.41 o
0 1 1 1124.01 1048.12 13.30 o
1 1 1 105.29 96.35 1.30 o
2 1 1 358.72 386.49 4.10 o
3 1 1 126.13 132.94 3.57 o
4 1 1 62.13 58.28 1.54 o
5 1 1 85.93 93.45 2.20 o
-5 2 1 0.14 0.40 0.50 o
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-3 2 1 81.24 81.30 2.18 o
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0 2 1 664.40 683.71 6.14 o
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2 2 1 304.57 295.18 2.64 o
3 2 1 52.30 62.86 1.44 o
4 2 1 246.70 242.12 3.61 o
5 2 1 11.79 11.69 0.98 o
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-3 3 1 406.10 367.15 4.45 o
-2 3 1 199.47 230.89 3.97 o
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0 3 1 39.10 43.28 0.84 o
1 3 1 1639.03 1642.72 14.42 o
2 3 1 86.29 97.08 1.68 o
3 3 1 184.19 193.61 4.22 o
4 3 1 7.45 8.79 0.77 o
5 3 1 0.01 0.22 0.38 o
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-5 4 1 26.54 28.66 1.29 o
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-3 4 1 307.09 295.43 3.88 o
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0 4 1 319.08 341.41 3.65 o
1 4 1 3.99 1.54 0.28 o
2 4 1 41.19 48.95 1.23 o
3 4 1 255.80 263.70 5.51 o
4 4 1 183.36 185.78 5.51 o
5 4 1 0.04 -0.10 0.50 o
-6 5 1 1.27 1.30 0.62 o
-5 5 1 29.24 24.83 1.23 o
-4 5 1 12.13 10.32 1.09 o
-3 5 1 1.26 0.40 0.40 o
-2 5 1 1919.84 1947.84 24.82 o
-1 5 1 717.29 742.39 10.32 o
0 5 1 12.97 11.12 0.56 o
1 5 1 37.21 46.79 1.39 o
2 5 1 36.06 30.83 1.05 o
3 5 1 18.79 18.74 0.95 o
4 5 1 6.92 5.77 0.70 o
5 5 1 19.28 18.86 1.79 o
-5 6 1 33.36 34.64 1.99 o
-4 6 1 13.00 11.12 1.19 o
-3 6 1 10.37 11.22 1.09 o
-2 6 1 827.24 851.98 12.11 o
-1 6 1 428.01 403.11 6.55 o
0 6 1 824.22 850.60 8.35 o
1 6 1 620.27 600.59 12.21 o
2 6 1 38.92 38.69 1.26 o
3 6 1 488.12 443.90 5.61 o
4 6 1 3.29 4.28 2.08 o
-5 7 1 3.35 4.96 1.09 o
-4 7 1 7.01 10.03 1.19 o
-3 7 1 258.02 247.46 5.06 o
-2 7 1 56.41 57.87 2.08 o
-1 7 1 45.94 50.72 1.99 o
0 7 1 4.15 2.94 0.42 o
1 7 1 14.14 14.42 1.04 o
2 7 1 20.75 17.35 0.95 o
3 7 1 0.03 -0.42 0.28 o
4 7 1 27.02 21.04 1.26 o
-5 8 1 1.89 0.79 0.79 o
-4 8 1 74.93 73.36 2.78 o
-3 8 1 48.06 48.74 2.18 o
-2 8 1 56.68 55.29 2.18 o
-1 8 1 31.33 27.89 1.59 o
0 8 1 535.58 551.41 9.03 o
1 8 1 18.24 17.99 0.95 o
2 8 1 353.62 324.25 5.41 o
3 8 1 8.84 8.42 1.29 o
-5 9 1 20.56 21.64 1.79 o
-4 9 1 0.81 1.19 0.79 o
-3 9 1 444.21 436.66 8.14 o
-2 9 1 0.16 0.69 0.60 o
-1 9 1 0.06 0.30 0.50 o
0 9 1 6.54 10.03 1.19 o
1 9 1 16.33 16.20 1.05 o
2 9 1 6.89 5.90 0.73 o
3 9 1 56.76 50.41 1.79 o
-4 10 1 38.82 38.81 2.28 o
-3 10 1 0.43 2.18 0.79 o
-2 10 1 11.41 8.83 1.19 o
-1 10 1 43.32 45.26 2.28 o
0 10 1 1.38 1.39 0.69 o
1 10 1 55.74 51.08 1.68 o
2 10 1 17.57 20.61 1.24 o
-3 11 1 0.06 -0.50 0.69 o
-2 11 1 0.20 0.69 0.69 o
-1 11 1 44.00 47.45 2.48 o
0 11 1 25.58 27.99 1.89 o
1 11 1 15.97 16.94 1.23 o
-2 12 1 1.57 3.37 0.99 o
-1 12 1 11.85 15.29 1.69 o
0 12 1 0.23 -0.60 0.60 o
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0 -12 2 0.06 0.00 0.69 o
1 -12 2 30.52 38.22 2.28 o
2 -12 2 0.29 -0.30 0.69 o
3 -12 2 14.27 14.79 1.69 o
-2 -11 2 0.13 -0.10 0.60 o
-1 -11 2 7.70 8.34 0.84 o
0 -11 2 1.97 3.18 0.56 o
1 -11 2 11.98 9.33 1.29 o
2 -11 2 1.09 2.88 0.89 o
3 -11 2 21.19 17.97 1.69 o
4 -11 2 5.95 4.57 1.09 o
-3 -10 2 1.72 1.89 0.89 o
-2 -10 2 68.33 69.42 1.93 o
-1 -10 2 39.43 36.66 1.54 o
0 -10 2 67.25 65.80 1.75 o
1 -10 2 132.84 147.41 3.97 o
2 -10 2 111.43 111.47 3.37 o
3 -10 2 3.36 3.67 0.89 o
4 -10 2 49.58 45.46 2.38 o
-3 -9 2 106.67 99.06 3.47 o
-2 -9 2 3.50 2.52 0.52 o
-1 -9 2 7.68 7.93 0.73 o
0 -9 2 66.63 71.29 1.72 o
1 -9 2 15.87 12.31 1.19 o
2 -9 2 30.82 31.47 1.79 o
3 -9 2 57.00 52.41 2.28 o
4 -9 2 1.70 -0.20 0.60 o
5 -9 2 34.49 34.35 2.18 o
-4 -8 2 41.71 38.32 2.28 o
-3 -8 2 78.53 74.05 2.88 o
-2 -8 2 87.62 83.26 1.93 o
-1 -8 2 96.71 91.07 3.67 o
0 -8 2 402.64 408.58 4.02 o
1 -8 2 257.82 261.46 5.06 o
2 -8 2 104.84 99.26 2.88 o
3 -8 2 2.50 2.38 0.69 o
4 -8 2 1.17 1.09 0.60 o
5 -8 2 3.76 1.69 0.69 o
-4 -7 2 151.70 138.47 4.27 o
-3 -7 2 15.85 15.39 1.49 o
-2 -7 2 273.60 255.08 3.67 o
-1 -7 2 151.85 143.53 2.24 o
0 -7 2 414.03 417.82 3.93 o
1 -7 2 261.62 271.71 3.70 o
2 -7 2 528.13 508.33 8.14 o
3 -7 2 165.13 156.04 3.87 o
4 -7 2 147.44 147.51 3.97 o
5 -7 2 11.20 9.14 1.29 o
-5 -6 2 2.37 2.78 0.99 o
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-3 -6 2 110.54 106.23 2.48 o
-2 -6 2 40.65 46.35 1.26 o
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0 -6 2 252.16 270.18 2.71 o
1 -6 2 33.63 33.53 1.00 o
2 -6 2 2.91 2.28 0.50 o
3 -6 2 11.97 9.45 0.76 o
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5 -6 2 4.76 4.00 0.73 o
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1 -5 2 0.64 0.60 0.55 o
2 -5 2 700.27 676.37 7.21 o
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4 -5 2 126.11 114.79 2.49 o
5 -5 2 3.80 4.55 0.70 o
6 -5 2 43.80 41.03 1.78 o
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-3 -4 2 1.43 0.88 0.31 o
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-1 -4 2 74.20 72.16 1.01 o
0 -4 2 196.35 212.08 2.02 o
1 -4 2 141.44 134.89 1.95 o
2 -4 2 18.44 13.03 0.63 o
3 -4 2 382.62 373.73 6.55 o
4 -4 2 1.73 1.69 0.60 o
5 -4 2 43.21 36.83 2.18 o
6 -4 2 85.02 84.18 3.47 o
-5 -3 2 47.26 51.12 2.48 o
-4 -3 2 0.09 0.20 0.50 o
-3 -3 2 327.30 295.41 2.97 o
-2 -3 2 25.28 27.65 0.59 o
-1 -3 2 57.19 60.36 0.84 o
0 -3 2 38.89 46.52 0.80 o
1 -3 2 3880.37 3657.51 28.73 o
2 -3 2 263.84 268.71 4.67 o
3 -3 2 547.77 522.42 8.34 o
4 -3 2 0.01 -0.60 0.40 o
5 -3 2 178.28 177.09 4.76 o
6 -3 2 19.29 25.91 2.08 o
-5 -2 2 0.36 2.28 0.79 o
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-3 -2 2 0.63 0.69 0.42 o
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-1 -2 2 272.41 260.99 2.21 o
0 -2 2 1391.74 1375.35 12.25 o
1 -2 2 3013.45 3005.30 53.35 o
2 -2 2 2151.78 2141.21 26.90 o
3 -2 2 87.19 93.70 2.68 o
4 -2 2 430.05 427.77 5.09 o
5 -2 2 22.68 25.01 1.69 o
6 -2 2 1.12 0.99 0.79 o
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-2 -1 2 367.53 402.48 4.20 o
-1 -1 2 42.95 40.90 1.09 o
0 -1 2 484.68 507.43 6.95 o
1 -1 2 3446.71 3252.38 146.51 o
2 -1 2 1390.22 1288.45 11.46 o
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