#------------------------------------------------------------------------------
#$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $
#$Revision: 691 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2016957.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_2016957_Fobs
loop_
_publ_author_name
'Diao, Yun-Peng'
'Li, Kun'
'Huang, Shan-Shan'
'Shu, Xiao-Hong'
'Liu, Ke-Xin'
'Deng, Xu-Ming'
_publ_section_title
;
 A novel threefold-interpenetrating primitive cubic network based on a
 dinuclear Zn~2~ node
;
_journal_coeditor_code           GA3114
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m82
_journal_page_last               m85
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.680
_cell_angle_beta                 99.680
_cell_angle_gamma                96.320
_cell_length_a                   6.9711
_cell_length_b                   8.0784
_cell_length_c                   11.9030
_exptl_crystal_F_000             338.00
_reflns_d_resolution_high        0.8403
_[local]_cod_data_source_file    ga3114Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 in  P-1'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            101.53
_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
2 0 0 280.32 291.38 38.95 o
3 0 0 741.52 688.13 25.27 o
4 0 0 1021.70 1121.35 27.76 o
5 0 0 79.68 92.79 8.08 o
6 0 0 1009.41 1011.15 44.20 o
7 0 0 58.75 55.88 9.24 o
8 0 0 10.95 15.57 7.89 o
-8 1 0 86.62 80.17 16.59 o
-7 1 0 467.70 477.08 28.89 o
-6 1 0 845.93 938.04 58.16 o
-5 1 0 287.82 296.75 39.50 o
-4 1 0 55.72 46.19 5.99 o
-3 1 0 945.10 1014.40 29.88 o
-2 1 0 88.09 83.59 5.63 o
-1 1 0 5647.59 5210.92 114.78 o
1 1 0 13.31 18.53 1.74 o
2 1 0 590.21 660.93 23.91 o
3 1 0 1960.49 2127.76 41.28 o
4 1 0 825.60 882.43 22.12 o
5 1 0 23.00 20.02 6.76 o
6 1 0 132.96 132.60 14.88 o
7 1 0 48.21 40.59 9.27 o
-8 2 0 41.02 37.53 8.84 o
-7 2 0 251.38 255.64 19.27 o
-6 2 0 279.29 299.87 43.77 o
-5 2 0 65.94 68.20 6.71 o
-4 2 0 1171.90 1064.14 74.07 o
-3 2 0 3030.99 3222.01 57.55 o
-2 2 0 265.11 271.52 8.80 o
-1 2 0 1117.53 1093.98 17.38 o
0 2 0 2151.09 2121.75 33.33 o
1 2 0 90.64 90.76 3.16 o
2 2 0 3522.07 3952.66 85.78 o
3 2 0 2536.16 2677.04 55.29 o
4 2 0 429.49 462.61 15.32 o
5 2 0 228.81 228.44 14.52 o
6 2 0 273.24 282.29 47.13 o
7 2 0 197.49 188.21 24.16 o
-8 3 0 26.02 28.03 9.11 o
-7 3 0 65.25 66.58 10.17 o
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-5 3 0 159.17 149.66 11.46 o
-4 3 0 981.81 899.90 71.50 o
-3 3 0 2969.34 2968.67 68.02 o
-2 3 0 327.05 351.87 9.30 o
-1 3 0 9.40 14.11 2.96 o
0 3 0 1560.77 1459.63 77.72 o
1 3 0 405.19 513.85 36.20 o
2 3 0 134.22 125.69 5.29 o
3 3 0 1622.86 1865.63 45.00 o
4 3 0 1130.56 1207.12 54.08 o
5 3 0 0.80 14.76 4.46 o
6 3 0 226.75 233.97 13.97 o
7 3 0 287.52 316.55 26.41 o
-7 4 0 71.71 66.07 10.71 o
-6 4 0 30.69 35.80 6.30 o
-5 4 0 263.26 223.00 19.88 o
-4 4 0 507.69 473.63 15.21 o
-3 4 0 2088.85 2097.74 47.89 o
-2 4 0 73.20 81.60 4.25 o
-1 4 0 1150.68 1073.40 22.74 o
0 4 0 803.38 788.00 22.32 o
1 4 0 0.57 7.82 3.18 o
2 4 0 223.41 217.29 8.75 o
3 4 0 888.93 943.84 36.39 o
4 4 0 3.27 6.17 3.10 o
5 4 0 202.41 199.50 12.24 o
6 4 0 633.13 658.88 31.73 o
-7 5 0 109.56 133.05 13.89 o
-6 5 0 30.07 37.80 9.96 o
-5 5 0 0.32 0.92 2.88 o
-4 5 0 457.70 416.40 15.36 o
-3 5 0 765.32 766.42 22.72 o
-2 5 0 1092.51 1128.96 29.56 o
-1 5 0 1388.83 1372.51 47.05 o
0 5 0 325.22 319.81 17.06 o
1 5 0 627.98 575.77 46.03 o
2 5 0 31.33 30.75 3.43 o
3 5 0 552.69 534.11 46.46 o
4 5 0 11.12 8.85 3.38 o
5 5 0 9.29 0.88 4.47 o
6 5 0 218.98 224.33 16.24 o
-7 6 0 83.72 93.95 21.84 o
-6 6 0 164.01 156.29 29.78 o
-5 6 0 23.40 20.49 4.34 o
-4 6 0 39.35 47.81 5.09 o
-3 6 0 130.83 133.44 7.95 o
-2 6 0 136.50 113.56 6.48 o
-1 6 0 487.23 459.34 15.25 o
0 6 0 334.20 318.48 18.77 o
1 6 0 1.14 11.91 6.41 o
2 6 0 309.50 313.71 20.13 o
3 6 0 286.86 318.52 21.90 o
4 6 0 12.96 16.74 4.97 o
5 6 0 40.25 46.26 8.43 o
-6 7 0 10.46 12.39 7.41 o
-5 7 0 235.52 206.66 17.23 o
-4 7 0 147.11 148.23 12.45 o
-3 7 0 95.99 76.41 6.76 o
-2 7 0 221.26 215.71 31.34 o
-1 7 0 529.45 537.47 33.88 o
0 7 0 25.10 25.61 5.85 o
1 7 0 20.86 16.84 7.03 o
2 7 0 54.45 47.63 9.14 o
3 7 0 439.68 451.28 50.43 o
4 7 0 23.28 30.62 8.86 o
-5 8 0 27.71 30.91 11.15 o
-4 8 0 116.98 99.40 12.24 o
-3 8 0 1.81 3.54 7.88 o
-2 8 0 85.31 89.99 11.23 o
-1 8 0 3.92 2.86 5.26 o
0 8 0 127.29 129.27 13.63 o
1 8 0 50.53 51.90 21.75 o
2 8 0 105.92 108.52 14.80 o
3 8 0 143.12 153.31 18.31 o
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-2 9 0 13.55 17.52 14.91 o
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0 9 0 37.35 53.24 10.57 o
1 9 0 0.40 -0.67 9.65 o
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0 -9 1 80.81 100.69 13.48 o
1 -9 1 7.03 15.76 6.85 o
2 -9 1 83.34 95.43 13.61 o
3 -9 1 107.77 107.47 13.21 o
-3 -8 1 163.11 136.93 22.91 o
-2 -8 1 0.03 11.42 6.63 o
-1 -8 1 149.82 136.62 23.43 o
0 -8 1 316.07 255.03 19.81 o
1 -8 1 8.91 19.66 6.80 o
2 -8 1 191.49 178.30 15.32 o
3 -8 1 57.93 58.50 9.71 o
4 -8 1 204.78 175.75 16.06 o
5 -8 1 0.06 0.30 4.44 o
-4 -7 1 392.08 413.51 30.49 o
-3 -7 1 306.93 312.62 23.74 o
-2 -7 1 4.00 -0.94 6.75 o
-1 -7 1 211.88 209.92 17.04 o
0 -7 1 208.81 205.03 15.42 o
1 -7 1 1.00 4.32 2.61 o
2 -7 1 326.89 294.65 22.39 o
3 -7 1 71.53 77.12 6.87 o
4 -7 1 124.96 105.96 8.46 o
5 -7 1 149.16 132.75 20.23 o
6 -7 1 218.31 196.63 24.74 o
-5 -6 1 64.47 61.63 12.98 o
-4 -6 1 710.00 650.47 44.84 o
-3 -6 1 226.92 229.36 16.47 o
-2 -6 1 214.86 199.75 10.80 o
-1 -6 1 237.20 229.51 11.73 o
0 -6 1 930.70 857.12 62.00 o
1 -6 1 119.87 106.18 7.73 o
2 -6 1 59.99 61.29 5.03 o
3 -6 1 169.25 166.31 10.62 o
4 -6 1 85.63 75.47 6.27 o
5 -6 1 4.33 7.52 7.83 o
6 -6 1 323.11 319.53 23.20 o
-6 -5 1 158.04 141.10 19.34 o
-5 -5 1 0.75 0.67 3.83 o
-4 -5 1 262.31 294.30 23.25 o
-3 -5 1 434.00 443.08 17.61 o
-2 -5 1 49.83 47.06 7.76 o
-1 -5 1 891.89 905.58 29.09 o
0 -5 1 607.63 591.21 17.07 o
1 -5 1 564.21 522.78 15.62 o
2 -5 1 307.61 330.93 11.72 o
3 -5 1 806.40 756.44 22.64 o
4 -5 1 117.82 116.43 9.74 o
5 -5 1 224.64 204.88 12.45 o
6 -5 1 131.19 121.31 24.10 o
7 -5 1 62.41 55.64 10.39 o
-6 -4 1 178.71 160.86 11.65 o
-5 -4 1 403.01 424.17 22.59 o
-4 -4 1 807.01 884.96 28.92 o
-3 -4 1 34.05 46.62 4.32 o
-2 -4 1 48.18 38.92 3.44 o
-1 -4 1 2803.90 2930.20 79.21 o
0 -4 1 731.41 643.79 16.45 o
1 -4 1 93.00 100.99 4.53 o
2 -4 1 1011.35 997.19 32.04 o
3 -4 1 832.38 765.70 20.53 o
4 -4 1 106.40 101.32 5.57 o
5 -4 1 237.65 236.12 15.50 o
6 -4 1 119.31 123.31 12.22 o
7 -4 1 106.36 110.91 15.46 o
-7 -3 1 287.59 303.69 32.10 o
-6 -3 1 78.18 78.35 7.71 o
-5 -3 1 339.72 354.21 20.75 o
-4 -3 1 320.11 353.41 13.50 o
-3 -3 1 441.19 492.13 15.18 o
-2 -3 1 514.72 622.27 16.28 o
-1 -3 1 1449.71 1502.76 37.48 o
0 -3 1 589.64 554.58 12.27 o
1 -3 1 295.57 283.67 17.41 o
2 -3 1 296.65 264.25 11.52 o
3 -3 1 2235.42 2309.08 49.77 o
4 -3 1 186.56 178.16 19.79 o
5 -3 1 300.86 301.67 16.26 o
6 -3 1 5.36 20.14 5.69 o
7 -3 1 16.93 27.37 7.02 o
-7 -2 1 306.66 299.29 22.79 o
-6 -2 1 3.75 10.39 3.50 o
-5 -2 1 1067.09 1183.72 35.40 o
-4 -2 1 232.19 210.42 11.91 o
-3 -2 1 111.86 118.70 5.23 o
-2 -2 1 186.67 172.18 5.61 o
-1 -2 1 7.55 12.65 1.66 o
0 -2 1 1104.39 1194.27 18.60 o
1 -2 1 76.85 79.13 2.67 o
2 -2 1 990.98 988.84 17.93 o
3 -2 1 1152.48 1047.86 54.21 o
4 -2 1 93.56 89.85 6.51 o
5 -2 1 164.81 147.34 10.52 o
6 -2 1 103.10 96.88 10.12 o
7 -2 1 305.36 286.10 33.78 o
8 -2 1 15.58 33.72 13.38 o
-8 -1 1 93.95 112.63 14.63 o
-7 -1 1 198.72 188.98 17.41 o
-6 -1 1 140.08 150.26 13.78 o
-5 -1 1 786.58 838.65 29.65 o
-4 -1 1 775.27 775.21 19.46 o
-3 -1 1 374.81 412.60 10.80 o
-2 -1 1 44.85 58.12 3.06 o
-1 -1 1 7428.69 7170.91 78.61 o
1 -1 1 2370.16 2437.34 65.36 o
2 -1 1 1970.40 2032.20 44.07 o
3 -1 1 2568.56 2804.02 172.83 o
4 -1 1 24.97 24.77 4.36 o
5 -1 1 371.90 358.28 18.38 o
6 -1 1 249.84 231.10 15.99 o
7 -1 1 59.83 53.25 8.74 o
8 -1 1 50.38 39.74 9.83 o
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-7 0 1 89.39 73.87 16.28 o
-6 0 1 0.18 -3.08 3.98 o
-5 0 1 1178.89 1097.63 76.39 o
-4 0 1 20.20 13.22 1.98 o
-3 0 1 8.91 18.17 3.52 o
-2 0 1 217.71 202.77 10.93 o
-1 0 1 1625.55 1719.05 19.40 o
1 0 1 3088.91 3119.78 52.41 o
2 0 1 2137.67 2131.75 27.51 o
3 0 1 138.84 118.95 6.45 o
4 0 1 0.60 2.73 1.71 o
5 0 1 963.03 978.46 38.39 o
6 0 1 47.86 48.95 7.60 o
7 0 1 45.46 48.13 9.07 o
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-5 1 1 383.27 407.24 22.64 o
-4 1 1 534.12 494.72 12.59 o
-3 1 1 586.22 619.16 13.62 o
-2 1 1 1716.30 1490.78 27.59 o
-1 1 1 3997.46 3725.70 47.59 o
0 1 1 941.85 841.13 24.08 o
1 1 1 1063.75 1265.79 106.73 o
2 1 1 3746.82 4053.40 125.76 o
3 1 1 327.91 302.42 12.35 o
4 1 1 13.85 11.58 2.04 o
5 1 1 672.75 672.69 35.13 o
6 1 1 51.64 50.48 8.04 o
7 1 1 0.12 6.77 7.94 o
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-7 2 1 99.73 99.72 20.62 o
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-5 2 1 110.96 99.67 8.10 o
-4 2 1 2062.00 2130.90 43.93 o
-3 2 1 67.20 84.18 5.47 o
-2 2 1 1106.54 1195.12 61.46 o
-1 2 1 544.32 453.11 13.52 o
0 2 1 1331.19 1380.26 30.54 o
1 2 1 1218.29 1210.35 43.15 o
2 2 1 4209.33 4665.85 101.50 o
3 2 1 16.37 13.28 2.27 o
4 2 1 3.17 9.79 2.58 o
5 2 1 9.86 8.50 2.84 o
6 2 1 488.25 497.22 29.35 o
7 2 1 10.89 28.62 8.70 o
-8 3 1 212.30 219.45 21.45 o
-7 3 1 18.38 21.18 7.00 o
-6 3 1 17.52 21.08 5.36 o
-5 3 1 480.36 379.86 44.47 o
-4 3 1 706.54 727.89 27.61 o
-3 3 1 20.39 15.02 2.68 o
-2 3 1 489.81 452.65 22.97 o
-1 3 1 2660.04 2470.10 68.53 o
0 3 1 149.03 154.63 7.66 o
1 3 1 2539.29 2825.31 73.03 o
2 3 1 1346.75 1460.38 32.49 o
3 3 1 13.96 15.20 2.99 o
4 3 1 11.41 15.57 3.15 o
5 3 1 1572.36 1699.70 138.66 o
6 3 1 423.50 413.19 27.13 o
7 3 1 10.49 8.59 11.21 o
-7 4 1 0.46 -8.00 8.25 o
-6 4 1 2.24 12.56 7.64 o
-5 4 1 442.02 469.23 17.10 o
-4 4 1 448.77 429.72 14.65 o
-3 4 1 62.01 71.53 5.38 o
-2 4 1 1146.42 1108.78 26.41 o
-1 4 1 1673.40 1580.26 62.09 o
0 4 1 332.04 368.25 13.90 o
1 4 1 13.68 12.34 3.00 o
2 4 1 413.97 428.30 23.09 o
3 4 1 19.16 28.56 6.78 o
4 4 1 1.13 3.91 5.23 o
5 4 1 448.39 472.73 20.94 o
6 4 1 158.04 162.42 25.57 o
-7 5 1 2.28 -1.53 4.96 o
-6 5 1 16.01 17.27 6.19 o
-5 5 1 5.78 6.94 4.28 o
-4 5 1 252.89 248.45 11.82 o
-3 5 1 1.29 4.46 2.30 o
-2 5 1 684.57 645.48 19.97 o
-1 5 1 262.47 254.12 19.09 o
0 5 1 628.32 704.01 30.84 o
1 5 1 278.85 281.50 17.38 o
2 5 1 595.42 590.77 39.07 o
3 5 1 112.48 113.68 7.82 o
4 5 1 29.98 25.55 4.69 o
5 5 1 366.69 400.08 19.90 o
-6 6 1 0.20 4.79 5.78 o
-5 6 1 255.76 249.09 15.86 o
-4 6 1 263.99 234.28 16.72 o
-3 6 1 0.15 -2.08 3.30 o
-2 6 1 417.34 421.75 22.52 o
-1 6 1 708.27 675.90 31.55 o
0 6 1 41.71 54.78 7.59 o
1 6 1 205.29 205.91 15.36 o
2 6 1 607.27 622.35 50.74 o
3 6 1 113.55 117.53 12.30 o
4 6 1 1.02 19.16 6.81 o
5 6 1 168.64 187.54 18.44 o
-6 7 1 11.22 18.61 7.60 o
-5 7 1 72.49 76.14 7.74 o
-4 7 1 27.09 31.34 5.26 o
-3 7 1 25.20 13.69 8.34 o
-2 7 1 138.72 136.51 12.44 o
-1 7 1 330.31 309.79 21.02 o
0 7 1 340.25 335.29 23.08 o
1 7 1 56.73 59.43 21.17 o
2 7 1 364.14 366.35 35.68 o
3 7 1 228.95 214.97 19.63 o
4 7 1 31.06 41.57 11.36 o
-5 8 1 135.47 139.96 15.21 o
-4 8 1 29.76 15.92 18.05 o
-3 8 1 0.56 13.62 10.94 o
-2 8 1 76.15 82.50 14.60 o
-1 8 1 4.54 -6.35 7.70 o
0 8 1 6.06 14.84 9.74 o
1 8 1 78.07 69.09 13.75 o
2 8 1 120.78 116.78 15.64 o
-3 9 1 0.84 8.80 9.59 o
-2 9 1 28.80 34.75 9.85 o
-1 9 1 77.33 65.45 20.34 o
0 9 1 16.35 6.18 7.70 o
-1 -9 2 225.28 204.27 19.85 o
0 -9 2 86.19 92.08 12.37 o
1 -9 2 0.44 16.58 9.53 o
2 -9 2 10.96 25.23 7.88 o
3 -9 2 37.86 32.42 9.26 o
-3 -8 2 13.89 30.82 9.70 o
-2 -8 2 90.36 108.63 35.53 o
-1 -8 2 397.77 395.30 26.18 o
0 -8 2 37.59 31.41 7.45 o
1 -8 2 165.76 148.00 13.82 o
2 -8 2 142.35 151.15 10.60 o
3 -8 2 15.42 15.06 4.80 o
4 -8 2 22.81 16.13 5.36 o
5 -8 2 70.98 91.75 12.46 o
-4 -7 2 138.83 127.58 10.66 o
-3 -7 2 29.47 28.54 5.67 o
-2 -7 2 202.23 215.86 12.23 o
-1 -7 2 924.14 881.29 30.34 o
0 -7 2 156.63 154.44 8.91 o
1 -7 2 83.74 71.67 6.06 o
2 -7 2 81.61 71.83 9.83 o
3 -7 2 74.89 82.84 7.14 o
4 -7 2 18.93 19.59 4.42 o
5 -7 2 50.66 56.45 6.93 o
6 -7 2 3.70 16.74 8.98 o
-5 -6 2 31.90 35.66 6.75 o
-4 -6 2 451.13 451.89 21.18 o
-3 -6 2 3.35 0.49 4.58 o
-2 -6 2 308.97 294.73 13.54 o
-1 -6 2 17.76 17.97 3.59 o
0 -6 2 4.04 7.23 2.76 o
1 -6 2 212.05 205.36 9.54 o
2 -6 2 1075.32 1122.36 33.57 o
3 -6 2 150.40 149.61 8.39 o
4 -6 2 5.51 10.92 4.89 o
5 -6 2 57.35 66.84 18.27 o
6 -6 2 145.29 130.47 13.77 o
-6 -5 2 144.12 128.42 11.30 o
-5 -5 2 569.55 622.35 28.47 o
-4 -5 2 865.61 1026.25 44.38 o
-3 -5 2 1.15 3.89 5.16 o
-2 -5 2 747.97 794.60 24.64 o
-1 -5 2 170.71 152.98 7.49 o
0 -5 2 30.13 30.76 3.48 o
1 -5 2 604.70 595.71 17.36 o
2 -5 2 1472.69 1486.00 37.37 o
3 -5 2 68.45 70.38 6.93 o
4 -5 2 10.63 12.68 3.00 o
5 -5 2 532.28 586.83 30.13 o
6 -5 2 442.44 445.23 26.83 o
7 -5 2 48.34 45.56 10.05 o
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-6 -4 2 218.36 216.90 14.12 o
-5 -4 2 255.15 282.14 17.82 o
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-3 -4 2 90.38 93.40 7.86 o
-2 -4 2 980.99 951.85 25.34 o
-1 -4 2 1869.73 1869.58 41.80 o
0 -4 2 41.04 38.52 2.90 o
2 -4 2 2223.50 2547.02 54.59 o
3 -4 2 264.77 274.47 12.86 o
4 -4 2 484.08 461.98 27.95 o
5 -4 2 530.42 528.94 25.12 o
6 -4 2 230.80 241.47 18.16 o
7 -4 2 102.75 116.43 14.54 o
-7 -3 2 66.59 64.04 10.84 o
-6 -3 2 119.13 126.59 9.30 o
-5 -3 2 163.93 172.31 9.83 o
-4 -3 2 576.79 680.84 22.12 o
-3 -3 2 531.34 548.93 16.70 o
-2 -3 2 3491.13 3770.77 71.79 o
-1 -3 2 797.31 762.33 17.17 o
0 -3 2 38.86 31.32 3.93 o
1 -3 2 433.01 373.47 13.39 o
2 -3 2 1747.97 1827.91 57.11 o
3 -3 2 11.01 16.11 2.28 o
4 -3 2 449.34 347.12 32.81 o
5 -3 2 1181.09 1169.61 47.13 o
6 -3 2 196.88 196.85 16.12 o
7 -3 2 25.23 39.51 11.36 o
-7 -2 2 39.90 20.11 10.69 o
-6 -2 2 1.42 5.75 7.88 o
-5 -2 2 959.18 998.00 37.68 o
-4 -2 2 586.31 639.87 56.30 o
-3 -2 2 1005.77 1067.49 25.36 o
-2 -2 2 1125.73 1072.70 22.12 o
-1 -2 2 3655.15 3662.35 86.34 o
0 -2 2 5629.60 6301.29 158.84 o
1 -2 2 210.68 184.00 5.55 o
2 -2 2 5807.39 5918.05 83.96 o
3 -2 2 80.37 66.66 3.77 o
4 -2 2 77.42 52.53 5.63 o
5 -2 2 1058.80 1102.06 147.24 o
6 -2 2 155.28 164.14 13.23 o
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