#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:04:13 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180819 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/50/2015081.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_2015081_Fobs
loop_
_publ_author_name
'Goreshnik, Evgeny'
'Karpyak, Volodymyr'
'Mys'kiv, Marian'
_publ_section_title
;
catena-Poly[[cyclo-tetra-\m-chlorotetracopper(I)]-bis{\m-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2\kN,1'\h^2^;1\h^2^,2'\kN]
;
_journal_coeditor_code SQ1213
_journal_issue 8
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first m390
_journal_page_last m392
_journal_volume 61
_journal_year 2005
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 81.470
_cell_angle_beta 86.400
_cell_angle_gamma 65.790
_cell_length_a 8.7940
_cell_length_b 9.2890
_cell_length_c 12.7670
_exptl_crystal_F_000 532.00
_reflns_d_resolution_high 0.7303
_cod_data_source_file sq1213Isup2.hkl
_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' '
_shelx_refln_list_code 4
_shelx_f_calc_maximum 171.07
_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 0 855.08 810.56 28.90 o
2 0 0 9847.08 9112.45 83.54 o
3 0 0 3167.22 2904.38 46.17 o
4 0 0 0.13 2.87 3.13 o
5 0 0 359.35 350.06 37.93 o
6 0 0 98.26 77.69 13.51 o
7 0 0 226.08 208.45 43.57 o
8 0 0 899.17 1096.62 117.69 o
9 0 0 35.18 37.60 21.23 o
10 0 0 13.52 7.60 10.45 o
-9 1 0 115.13 98.77 30.75 o
-8 1 0 304.48 366.89 57.63 o
-7 1 0 177.98 159.97 36.92 o
-6 1 0 136.46 130.20 20.01 o
-5 1 0 123.12 100.03 15.95 o
-4 1 0 1385.74 1555.52 76.49 o
-3 1 0 598.83 538.96 31.56 o
-2 1 0 15641.07 14682.17 109.43 o
-1 1 0 317.93 273.15 8.06 o
0 1 0 3945.69 4181.42 38.82 o
1 1 0 6176.02 6244.00 64.15 o
2 1 0 3137.84 2984.28 76.06 o
4 1 0 98.52 89.39 8.44 o
5 1 0 70.31 53.07 7.44 o
6 1 0 1377.24 1270.15 70.56 o
7 1 0 4.44 20.46 14.54 o
8 1 0 239.70 269.53 54.95 o
9 1 0 248.40 290.79 60.56 o
10 1 0 91.15 88.21 31.72 o
11 1 0 75.32 77.91 32.28 o
-7 2 0 52.92 41.05 20.09 o
-6 2 0 22.57 16.05 7.31 o
-5 2 0 5.23 2.66 3.22 o
-4 2 0 1688.24 1752.61 74.95 o
-3 2 0 2080.48 1948.51 73.46 o
-2 2 0 6595.26 6207.53 89.87 o
-1 2 0 1951.31 1874.16 57.53 o
0 2 0 19243.97 19070.03 124.35 o
1 2 0 1633.14 1625.85 49.69 o
2 2 0 11370.23 11112.65 117.67 o
3 2 0 2556.39 2481.50 157.52 o
4 2 0 2293.91 2415.37 159.78 o
5 2 0 369.05 304.91 35.60 o
6 2 0 58.18 40.14 19.03 o
7 2 0 220.89 192.06 41.40 o
8 2 0 84.91 93.08 29.27 o
9 2 0 24.86 14.65 12.92 o
10 2 0 347.12 432.26 71.08 o
11 2 0 144.75 206.93 54.36 o
-6 3 0 4.82 3.59 4.79 o
-5 3 0 660.85 650.10 50.09 o
-4 3 0 8.14 3.50 2.83 o
-3 3 0 88.71 88.25 10.88 o
-2 3 0 7470.86 7640.97 84.86 o
-1 3 0 27.80 34.39 5.29 o
0 3 0 11357.65 11975.97 157.44 o
1 3 0 2035.53 1959.50 61.06 o
2 3 0 5263.06 5175.21 65.63 o
3 3 0 719.61 599.55 32.99 o
4 3 0 0.38 0.39 0.50 o
5 3 0 924.95 906.75 79.88 o
6 3 0 11.34 8.20 7.98 o
7 3 0 0.92 13.82 10.75 o
8 3 0 607.46 723.80 88.69 o
9 3 0 326.04 419.03 66.33 o
10 3 0 46.33 20.98 17.85 o
11 3 0 305.29 395.02 71.12 o
-5 4 0 373.78 343.67 52.17 o
-4 4 0 885.07 811.18 57.92 o
-3 4 0 174.57 138.32 15.43 o
-2 4 0 1088.91 1110.70 46.42 o
-1 4 0 55.65 37.69 4.92 o
0 4 0 5353.49 5378.74 64.07 o
1 4 0 660.88 565.80 26.48 o
2 4 0 21.91 25.53 5.61 o
4 4 0 1.27 0.16 0.68 o
5 4 0 514.10 486.34 37.35 o
6 4 0 238.55 231.10 45.36 o
7 4 0 30.97 17.94 13.03 o
8 4 0 230.89 238.02 51.30 o
9 4 0 519.22 637.46 86.26 o
10 4 0 7.39 11.89 14.29 o
11 4 0 290.21 384.38 70.73 o
-4 5 0 13.26 4.24 6.91 o
-3 5 0 488.80 450.79 60.43 o
-2 5 0 4098.07 4149.72 116.86 o
-1 5 0 28.82 30.33 6.70 o
0 5 0 6114.34 7155.87 225.49 o
1 5 0 4447.98 4634.77 66.98 o
2 5 0 5290.81 6140.59 138.97 o
3 5 0 2127.99 2192.27 145.93 o
4 5 0 601.98 542.59 59.91 o
5 5 0 70.24 40.94 9.98 o
6 5 0 245.43 205.20 42.16 o
7 5 0 30.13 30.11 17.42 o
8 5 0 219.80 184.38 43.72 o
9 5 0 370.85 460.17 71.22 o
10 5 0 0.11 26.87 19.62 o
11 5 0 79.19 105.55 37.34 o
-3 6 0 112.52 80.14 25.46 o
-2 6 0 135.83 165.19 38.14 o
-1 6 0 1066.22 1164.39 52.84 o
0 6 0 2494.07 2756.17 83.17 o
1 6 0 2550.70 2732.22 84.02 o
2 6 0 954.25 1011.80 89.65 o
3 6 0 155.62 110.75 23.72 o
4 6 0 143.76 135.28 28.91 o
5 6 0 225.47 213.48 41.72 o
6 6 0 129.89 108.32 28.35 o
7 6 0 91.86 76.57 24.70 o
8 6 0 208.76 159.21 40.06 o
9 6 0 338.04 377.98 63.38 o
10 6 0 0.22 37.75 22.91 o
11 6 0 60.69 32.84 22.34 o
-1 7 0 1386.44 1405.93 113.35 o
0 7 0 271.91 231.34 35.52 o
1 7 0 3268.89 3801.76 187.44 o
2 7 0 90.38 75.49 18.00 o
3 7 0 98.10 74.95 19.16 o
4 7 0 16.18 7.61 6.24 o
5 7 0 109.94 120.05 28.92 o
6 7 0 136.43 160.20 36.67 o
7 7 0 71.97 41.13 20.92 o
8 7 0 7.30 11.76 10.68 o
9 7 0 43.90 29.06 18.64 o
10 7 0 17.57 21.23 16.50 o
2 8 0 321.05 333.69 37.11 o
3 8 0 14.67 8.31 4.26 o
4 8 0 141.28 123.31 28.83 o
5 8 0 1.28 3.48 4.76 o
6 8 0 4.39 4.01 5.85 o
7 8 0 14.70 6.21 6.98 o
8 8 0 33.22 12.54 10.93 o
9 8 0 165.74 217.32 51.96 o
10 8 0 47.34 17.36 14.89 o
4 9 0 91.23 80.34 23.12 o
5 9 0 219.06 246.06 49.10 o
6 9 0 137.14 121.50 32.40 o
7 9 0 109.05 71.06 24.81 o
8 9 0 108.72 76.12 27.07 o
9 9 0 147.95 139.79 40.14 o
10 9 0 25.46 26.55 18.97 o
5 10 0 129.49 93.25 27.68 o
6 10 0 19.10 4.40 6.19 o
7 10 0 31.59 37.31 20.76 o
8 10 0 1.48 8.34 9.56 o
9 10 0 36.46 21.86 16.31 o
8 11 0 0.12 13.83 12.72 o
9 11 0 10.60 20.98 16.70 o
-9 -11 1 31.99 19.52 16.16 o
-8 -11 1 11.66 17.99 14.99 o
-9 -10 1 41.94 27.96 18.92 o
-8 -10 1 3.38 3.52 6.30 o
-7 -10 1 145.94 177.09 44.15 o
-6 -10 1 4.08 0.14 1.66 o
-10 -9 1 0.42 17.55 15.58 o
-9 -9 1 0.82 2.68 5.49 o
-8 -9 1 0.03 7.03 8.34 o
-7 -9 1 54.25 47.98 19.51 o
-6 -9 1 397.12 428.54 62.35 o
-5 -9 1 319.24 352.73 52.98 o
-4 -9 1 1014.64 1313.64 100.48 o
-10 -8 1 19.75 34.27 21.83 o
-9 -8 1 3.30 5.70 7.94 o
-8 -8 1 191.82 201.76 47.90 o
-7 -8 1 325.08 398.17 60.67 o
-6 -8 1 2.68 19.16 12.66 o
-5 -8 1 70.17 50.52 17.02 o
-4 -8 1 848.59 1112.27 87.02 o
-3 -8 1 339.30 302.85 51.26 o
-2 -8 1 100.69 80.17 18.89 o
-1 -8 1 36.79 37.15 19.79 o
0 -8 1 30.76 21.11 15.00 o
1 -8 1 147.94 139.52 38.30 o
2 -8 1 65.84 37.84 21.66 o
-10 -7 1 0.36 0.24 4.16 o
-9 -7 1 120.22 117.80 35.71 o
-8 -7 1 3.27 7.06 8.20 o
-7 -7 1 182.79 193.76 43.82 o
-6 -7 1 2130.11 2572.58 164.75 o
-5 -7 1 166.65 127.89 30.31 o
-4 -7 1 41.98 29.27 14.31 o
-3 -7 1 1382.58 1530.23 98.81 o
-2 -7 1 22.11 17.10 6.80 o
-1 -7 1 1.89 8.30 4.86 o
0 -7 1 191.20 195.62 43.41 o
1 -7 1 140.22 135.57 35.21 o
2 -7 1 32.66 29.64 18.32 o
3 -7 1 16.75 9.34 9.65 o
4 -7 1 1.75 5.29 8.13 o
-10 -6 1 81.37 62.85 27.47 o
-9 -6 1 25.08 18.78 15.35 o
-8 -6 1 111.62 85.50 28.14 o
-7 -6 1 365.86 398.48 59.27 o
-6 -6 1 4.84 2.89 5.07 o
-5 -6 1 514.96 509.82 62.08 o
-4 -6 1 1390.70 1434.72 97.58 o
-3 -6 1 405.78 419.71 34.78 o
-2 -6 1 33.03 33.55 10.22 o
-1 -6 1 802.90 774.50 41.38 o
0 -6 1 2.80 1.48 1.15 o
1 -6 1 324.49 312.99 57.57 o
2 -6 1 550.67 516.53 68.56 o
3 -6 1 108.24 97.19 28.93 o
4 -6 1 431.81 486.68 70.21 o
5 -6 1 97.80 108.68 34.10 o
-11 -5 1 25.52 33.71 23.53 o
-10 -5 1 59.58 68.46 29.23 o
-9 -5 1 82.88 91.92 30.99 o
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-7 -5 1 150.24 135.98 34.51 o
-6 -5 1 437.09 470.59 61.50 o
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-4 -5 1 223.86 170.81 33.36 o
-3 -5 1 3797.47 4201.08 85.23 o
-2 -5 1 632.08 615.55 38.04 o
-1 -5 1 645.18 559.80 27.01 o
0 -5 1 4957.52 5680.09 150.43 o
1 -5 1 33.03 24.21 14.82 o
2 -5 1 0.65 1.33 2.08 o
3 -5 1 743.09 758.56 88.12 o
4 -5 1 524.27 586.76 75.22 o
5 -5 1 1077.81 1325.66 112.64 o
6 -5 1 6.55 15.17 12.53 o
-11 -4 1 1.37 20.35 17.63 o
-10 -4 1 0.25 3.78 7.99 o
-9 -4 1 77.81 53.82 22.28 o
-8 -4 1 99.04 74.76 25.62 o
-7 -4 1 49.37 35.28 18.57 o
-6 -4 1 595.75 601.83 71.77 o
-5 -4 1 1381.08 1423.39 100.29 o
-4 -4 1 3194.26 3579.09 121.26 o
-3 -4 1 3989.76 3922.88 70.07 o
-2 -4 1 908.30 900.08 38.86 o
-1 -4 1 5806.59 6429.96 93.88 o
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2 -4 1 125.43 88.48 8.97 o
3 -4 1 6.87 6.55 2.45 o
4 -4 1 43.29 31.10 10.73 o
5 -4 1 320.20 332.27 47.96 o
6 -4 1 396.99 368.70 56.61 o
7 -4 1 95.37 52.55 30.66 o
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-5 -3 1 1562.07 1647.58 109.54 o
-4 -3 1 78.33 45.34 13.12 o
-3 -3 1 11867.61 12439.11 227.13 o
-2 -3 1 2545.24 2600.35 68.32 o
-1 -3 1 6.13 5.26 1.94 o
0 -3 1 3909.63 4028.91 42.12 o
1 -3 1 0.81 0.19 1.47 o
2 -3 1 71.29 55.21 5.02 o
3 -3 1 855.04 866.74 44.52 o
4 -3 1 71.32 43.84 9.56 o
5 -3 1 601.41 609.02 47.65 o
6 -3 1 44.76 36.59 12.28 o
7 -3 1 30.59 22.55 13.72 o
-11 -2 1 5.92 21.89 19.39 o
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-9 -2 1 22.85 20.86 15.84 o
-8 -2 1 88.55 63.66 23.38 o
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-6 -2 1 875.63 996.16 100.91 o
-5 -2 1 6157.50 6840.16 184.45 o
-4 -2 1 1169.60 1168.47 89.86 o
-3 -2 1 9827.42 10085.25 193.99 o
-2 -2 1 14167.78 13408.25 136.35 o
-1 -2 1 484.28 435.95 13.16 o
0 -2 1 2951.85 2989.47 29.68 o
1 -2 1 0.89 1.56 0.81 o
2 -2 1 8.80 8.74 2.90 o
3 -2 1 1201.04 1104.01 45.62 o
4 -2 1 209.71 173.84 23.02 o
5 -2 1 296.67 300.72 36.01 o
6 -2 1 892.59 926.45 66.23 o
7 -2 1 112.07 90.50 17.72 o
-11 -1 1 112.12 120.07 39.44 o
-10 -1 1 7.22 1.13 4.52 o
-9 -1 1 149.80 129.41 36.56 o
-8 -1 1 153.55 166.89 40.75 o
-7 -1 1 164.01 162.25 37.40 o
-6 -1 1 188.41 168.10 36.03 o
-5 -1 1 1404.35 1270.90 89.81 o
-4 -1 1 2833.84 2838.77 100.94 o
-3 -1 1 3874.69 3624.52 102.42 o
-2 -1 1 578.60 537.09 41.18 o
-1 -1 1 2669.93 2548.25 70.19 o
0 -1 1 10389.08 10268.00 122.10 o
1 -1 1 2374.33 2423.57 137.61 o
2 -1 1 542.63 527.59 23.16 o
3 -1 1 64.94 62.61 6.75 o
4 -1 1 476.94 438.69 25.43 o
5 -1 1 998.62 1107.25 62.34 o
6 -1 1 694.53 703.60 52.75 o
7 -1 1 270.73 290.24 32.81 o
8 -1 1 540.30 711.10 85.74 o
-10 0 1 122.36 136.04 40.76 o
-9 0 1 3.57 15.73 13.57 o
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-6 0 1 1.63 1.28 5.06 o
-5 0 1 4794.69 5208.21 262.87 o
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-3 0 1 1662.02 1588.87 72.60 o
-2 0 1 5061.61 4740.76 54.52 o
-1 0 1 285.21 263.11 19.89 o
1 0 1 770.77 805.40 35.81 o
2 0 1 6480.88 6646.50 85.16 o
3 0 1 88.52 67.95 8.64 o
4 0 1 408.88 411.85 22.96 o
5 0 1 1485.66 1436.57 63.95 o
6 0 1 766.07 769.14 54.64 o
7 0 1 273.84 232.75 40.05 o
8 0 1 1665.75 2077.33 147.61 o
9 0 1 110.24 95.39 34.13 o
10 0 1 107.31 96.18 32.81 o
-9 1 1 13.57 12.62 12.51 o
-8 1 1 1.08 4.39 6.35 o
-7 1 1 537.85 543.60 69.79 o
-6 1 1 0.85 4.33 7.91 o
-5 1 1 1237.13 1291.47 91.92 o
-4 1 1 4461.00 4813.67 135.55 o
-3 1 1 5627.19 5204.67 72.19 o
-2 1 1 5628.75 5268.73 64.17 o
-1 1 1 4982.89 4682.42 51.59 o
0 1 1 670.47 634.87 41.56 o
1 1 1 278.27 316.24 12.94 o
2 1 1 213.92 183.55 12.55 o
3 1 1 149.91 137.40 12.74 o
4 1 1 326.71 324.90 31.76 o
5 1 1 903.29 884.21 48.89 o
6 1 1 7209.44 8628.36 382.07 o
7 1 1 21.96 17.42 7.06 o
8 1 1 1063.74 1200.32 103.95 o
9 1 1 273.71 285.46 59.86 o
10 1 1 67.90 44.36 20.78 o
11 1 1 7.78 -0.09 3.75 o
-8 2 1 113.57 98.08 29.33 o
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-4 2 1 408.42 370.94 31.45 o
-3 2 1 6256.05 6372.70 104.25 o
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-1 2 1 499.23 452.78 17.46 o
0 2 1 8294.06 8259.50 77.91 o
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2 2 1 3076.06 3387.85 62.14 o
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5 2 1 1381.50 1427.91 109.26 o
6 2 1 2581.84 2850.11 105.75 o
7 2 1 316.01 285.62 32.56 o
8 2 1 616.35 675.44 83.85 o
9 2 1 107.07 111.18 33.89 o
10 2 1 2.62 10.30 11.27 o
11 2 1 73.35 42.50 26.57 o
-7 3 1 250.25 186.95 40.93 o
-6 3 1 52.28 51.81 17.45 o
-5 3 1 1646.00 1748.30 114.33 o
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-3 3 1 2862.89 3058.90 114.78 o
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-1 3 1 314.84 277.68 13.18 o
0 3 1 2364.22 2285.05 97.82 o
1 3 1 1425.05 1427.02 54.01 o
2 3 1 479.99 464.83 98.21 o
3 3 1 1519.27 1552.23 107.09 o
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5 3 1 571.18 532.00 55.80 o
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7 3 1 12.11 13.74 10.79 o
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9 3 1 272.75 329.64 53.69 o
10 3 1 308.42 345.78 63.15 o
11 3 1 15.97 2.05 11.79 o
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-3 4 1 93.38 62.85 12.00 o
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0 4 1 11.89 6.36 2.32 o
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2 4 1 620.22 597.42 49.88 o
3 4 1 0.80 2.90 2.65 o
4 4 1 3381.57 3549.55 72.74 o
5 4 1 2.83 0.70 3.86 o
6 4 1 846.44 857.20 90.99 o
7 4 1 68.85 58.63 20.73 o
8 4 1 743.90 843.73 98.74 o
9 4 1 27.80 24.43 16.79 o
10 4 1 5.25 16.96 15.78 o
11 4 1 123.23 150.77 45.58 o
-3 5 1 80.52 66.11 16.51 o
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3 5 1 25.07 18.90 8.03 o
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5 5 1 41.32 23.69 10.07 o
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7 5 1 23.65 18.48 13.41 o
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10 5 1 236.02 268.38 60.84 o
11 5 1 16.12 34.22 23.63 o
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0 6 1 640.28 529.20 37.14 o
1 6 1 296.05 224.93 36.90 o
2 6 1 398.63 357.38 41.55 o
3 6 1 220.17 185.33 34.27 o
4 6 1 748.99 793.92 80.55 o
5 6 1 534.99 498.26 60.62 o
6 6 1 1173.36 1151.84 93.72 o
7 6 1 673.13 715.71 85.46 o
8 6 1 703.16 816.81 97.75 o
9 6 1 296.09 389.79 64.38 o
10 6 1 14.69 6.48 9.79 o
11 6 1 34.72 37.64 24.17 o
0 7 1 13.65 4.33 5.03 o
1 7 1 1879.74 2090.74 117.64 o
2 7 1 32.54 15.99 8.77 o
3 7 1 10.84 6.46 5.40 o
4 7 1 36.78 23.46 12.43 o
5 7 1 33.59 16.58 10.35 o
6 7 1 2156.09 2426.89 156.84 o
7 7 1 443.78 484.36 66.94 o
8 7 1 8.39 17.46 13.06 o
9 7 1 533.54 688.96 92.13 o
10 7 1 0.18 14.74 13.53 o
1 8 1 15.39 6.51 5.17 o
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3 8 1 79.94 55.33 15.66 o
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