#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2214439.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_2214439_Fobs
loop_
_publ_author_name
'Chi, Ying-Nan'
'Cui, Feng-Yun'
'Hu, Chang-Wen'
_publ_section_title
;
 Poly[[\m-2-amino-4-(2-pyridyl)-6-(4-pyridyl)pyrimidine-\k^3^<i>N</i>,<i>N</i>':<i>N</i>'']di-\m-bromido-dicopper(I)]
;
_journal_coeditor_code           XU2223
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1830
_journal_page_last               m1831
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.699
_cell_angle_beta                 84.631
_cell_angle_gamma                71.660
_cell_length_a                   7.4952
_cell_length_b                   9.9975
_cell_length_c                   11.3837
_exptl_crystal_F_000             410.00
_reflns_d_resolution_high        0.8406
_[local]_cod_data_source_file    xu2223Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 050909d in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            164.38
_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 7629.38 7675.86 565.27 o
2 0 0 52.72 54.85 8.68 o
3 0 0 2216.97 2242.23 169.57 o
4 0 0 34.11 25.52 11.11 o
5 0 0 107.73 118.82 21.67 o
6 0 0 78.97 105.11 22.57 o
7 0 0 1036.60 1147.44 97.84 o
8 0 0 153.44 129.08 32.22 o
-8 1 0 33.04 23.19 25.64 o
-7 1 0 443.89 454.49 51.04 o
-6 1 0 2920.56 3293.70 253.26 o
-5 1 0 227.38 235.36 30.58 o
-4 1 0 892.83 874.19 73.84 o
-3 1 0 534.30 571.97 50.19 o
-2 1 0 10579.39 11850.50 531.60 o
-1 1 0 22.53 26.78 8.51 o
0 1 0 2751.40 3046.85 226.92 o
1 1 0 1436.08 1586.39 87.39 o
2 1 0 3674.51 4087.27 302.89 o
3 1 0 4046.34 4509.98 335.02 o
4 1 0 263.16 221.65 23.98 o
5 1 0 278.68 292.14 31.25 o
6 1 0 1.03 -10.44 15.70 o
7 1 0 243.04 246.21 35.90 o
8 1 0 37.21 26.67 18.97 o
-7 2 0 216.44 232.52 37.98 o
-6 2 0 197.64 268.31 39.12 o
-5 2 0 507.12 549.34 55.39 o
-4 2 0 4779.79 5264.76 397.95 o
-3 2 0 71.48 51.04 29.27 o
-2 2 0 153.91 115.75 21.32 o
-1 2 0 51.58 36.93 11.72 o
0 2 0 10657.47 11582.93 507.64 o
1 2 0 2601.85 2757.75 179.32 o
2 2 0 2857.87 3198.82 176.32 o
3 2 0 26687.82 28154.82 1521.43 o
4 2 0 2981.75 3347.78 251.33 o
5 2 0 264.71 263.87 30.32 o
6 2 0 1118.11 1166.38 96.14 o
7 2 0 155.01 157.25 38.89 o
8 2 0 5.12 7.94 17.10 o
-7 3 0 439.89 501.40 57.88 o
-6 3 0 2443.14 2586.14 206.93 o
-5 3 0 47.33 69.50 25.44 o
-4 3 0 1007.85 1006.15 54.17 o
-3 3 0 7337.84 7139.76 323.15 o
-2 3 0 98.35 69.18 19.79 o
-1 3 0 6446.89 6670.75 499.82 o
0 3 0 75.48 74.18 5.95 o
1 3 0 3530.05 3621.05 160.45 o
2 3 0 83.74 114.25 9.86 o
3 3 0 117.87 148.94 12.81 o
4 3 0 399.76 359.50 24.85 o
5 3 0 5164.63 5694.73 315.03 o
6 3 0 1868.50 1948.93 113.05 o
7 3 0 301.80 294.94 27.88 o
8 3 0 192.60 140.74 24.17 o
-6 4 0 95.40 106.51 32.95 o
-5 4 0 336.87 289.95 43.91 o
-4 4 0 522.83 545.78 35.94 o
-3 4 0 109.57 135.22 31.96 o
-2 4 0 2093.09 1591.81 134.38 o
-1 4 0 6241.98 6452.31 342.70 o
0 4 0 301.15 283.06 15.58 o
1 4 0 6059.01 6188.67 272.89 o
3 4 0 6808.98 6985.18 382.14 o
4 4 0 4595.49 5326.40 305.39 o
5 4 0 146.90 128.69 15.24 o
6 4 0 5590.35 6083.12 337.32 o
7 4 0 588.34 651.86 45.87 o
8 4 0 125.42 121.17 20.37 o
-6 5 0 228.20 233.75 44.59 o
-5 5 0 1245.45 1211.17 68.31 o
-4 5 0 905.37 762.92 80.77 o
-3 5 0 1967.68 1671.44 147.53 o
-2 5 0 34.48 27.07 22.16 o
-1 5 0 22.30 20.54 8.27 o
0 5 0 7091.77 7348.45 387.48 o
1 5 0 591.72 595.25 29.09 o
2 5 0 5379.59 5432.72 240.66 o
3 5 0 12.00 10.70 9.46 o
4 5 0 1533.90 1600.79 91.46 o
5 5 0 18.51 13.11 9.36 o
6 5 0 117.78 158.15 37.59 o
7 5 0 288.04 330.94 29.66 o
8 5 0 260.28 251.85 39.18 o
-5 6 0 343.04 269.38 29.59 o
-4 6 0 509.56 427.21 62.74 o
-3 6 0 10.69 -12.40 21.93 o
-2 6 0 714.17 591.78 67.17 o
-1 6 0 493.15 536.62 36.80 o
0 6 0 135.44 150.76 14.80 o
1 6 0 1872.49 1844.94 84.12 o
2 6 0 2452.53 2545.43 114.61 o
3 6 0 199.29 170.78 50.24 o
4 6 0 3773.14 3593.85 271.94 o
5 6 0 545.62 472.58 45.83 o
6 6 0 1062.91 1271.26 105.23 o
7 6 0 886.47 853.08 77.23 o
8 6 0 111.32 123.82 30.79 o
-4 7 0 197.61 118.34 23.60 o
-3 7 0 205.45 135.25 43.24 o
-2 7 0 2265.90 2023.26 175.56 o
-1 7 0 752.30 758.72 78.51 o
0 7 0 3222.75 3707.82 289.18 o
1 7 0 96.40 94.33 27.19 o
2 7 0 121.35 153.90 15.20 o
3 7 0 1315.32 1168.43 95.99 o
4 7 0 227.65 233.72 30.64 o
5 7 0 2171.61 2020.92 159.08 o
6 7 0 22.78 22.83 18.39 o
7 7 0 132.77 133.21 28.07 o
8 7 0 66.07 56.63 27.19 o
-4 8 0 344.34 216.45 39.05 o
-3 8 0 34.11 13.10 34.56 o
-2 8 0 1168.35 1061.73 108.62 o
-1 8 0 894.91 1112.62 109.06 o
0 8 0 192.92 178.23 38.74 o
1 8 0 85.39 114.49 27.40 o
2 8 0 19.87 5.73 17.37 o
3 8 0 625.41 489.86 49.34 o
4 8 0 320.26 307.57 36.86 o
5 8 0 212.27 190.83 30.35 o
6 8 0 0.55 0.64 16.69 o
7 8 0 1292.08 1137.97 99.44 o
-2 9 0 900.26 850.01 98.30 o
-1 9 0 72.32 51.34 31.49 o
0 9 0 11.61 15.38 28.42 o
1 9 0 1309.57 1406.72 123.91 o
2 9 0 1530.36 1533.70 130.25 o
3 9 0 984.86 1038.14 91.67 o
4 9 0 209.97 214.25 33.80 o
5 9 0 126.47 107.18 28.27 o
6 9 0 182.66 187.70 34.03 o
7 9 0 44.29 48.54 26.11 o
-1 10 0 594.50 738.00 88.42 o
0 10 0 10.54 -7.46 29.97 o
1 10 0 633.07 664.34 73.49 o
2 10 0 1226.67 1312.86 117.30 o
3 10 0 134.17 98.41 30.26 o
4 10 0 10.91 -19.24 20.06 o
5 10 0 69.26 38.77 25.82 o
6 10 0 206.86 261.56 42.31 o
1 11 0 400.13 412.51 62.76 o
2 11 0 45.13 55.23 31.22 o
3 11 0 164.31 191.42 40.99 o
4 11 0 891.23 973.05 92.28 o
-5 -10 1 63.41 68.09 26.31 o
-4 -10 1 864.51 887.08 83.89 o
-3 -10 1 133.16 132.53 32.34 o
-2 -10 1 247.39 268.22 46.22 o
-1 -10 1 198.19 231.21 44.79 o
0 -10 1 4.42 22.10 30.00 o
1 -10 1 669.83 702.86 85.44 o
-6 -9 1 1.39 -19.97 19.97 o
-5 -9 1 12.55 15.70 21.93 o
-4 -9 1 743.73 768.28 72.11 o
-3 -9 1 128.45 133.03 29.35 o
-2 -9 1 1065.95 1167.37 104.33 o
-1 -9 1 3077.40 3491.01 276.32 o
0 -9 1 61.32 42.28 29.68 o
1 -9 1 114.53 61.96 34.15 o
2 -9 1 10.78 -18.21 32.60 o
-7 -8 1 158.42 139.32 32.54 o
-6 -8 1 924.58 961.41 85.94 o
-5 -8 1 1.05 5.88 17.48 o
-4 -8 1 56.45 73.09 23.10 o
-3 -8 1 1790.14 1776.49 143.20 o
-2 -8 1 77.44 78.09 23.24 o
-1 -8 1 2946.48 3389.44 265.62 o
0 -8 1 2.13 -16.96 18.45 o
1 -8 1 741.48 890.82 92.90 o
2 -8 1 48.91 -3.83 27.89 o
3 -8 1 20.37 2.08 33.04 o
-8 -7 1 8.48 -1.26 23.30 o
-7 -7 1 579.80 457.06 50.45 o
-6 -7 1 109.65 117.94 25.55 o
-5 -7 1 1603.66 1438.52 117.13 o
-4 -7 1 475.97 454.28 45.31 o
-3 -7 1 144.43 141.89 23.68 o
-2 -7 1 22.95 13.92 13.92 o
-1 -7 1 964.63 1017.72 62.91 o
0 -7 1 1276.24 1380.35 84.17 o
1 -7 1 1520.54 1696.02 147.62 o
2 -7 1 2960.25 2861.46 237.06 o
3 -7 1 53.42 46.02 33.39 o
4 -7 1 1.20 -5.29 23.96 o
-8 -6 1 510.60 422.57 51.13 o
-7 -6 1 1551.08 1617.85 132.77 o
-6 -6 1 7.14 7.25 17.19 o
-5 -6 1 1256.14 1015.08 84.95 o
-4 -6 1 272.25 248.81 22.30 o
-2 -6 1 271.90 261.41 27.80 o
-1 -6 1 37.58 39.83 6.23 o
0 -6 1 2240.70 2373.00 136.22 o
1 -6 1 189.76 129.34 30.73 o
2 -6 1 771.42 572.67 66.15 o
3 -6 1 14.79 -14.91 24.74 o
4 -6 1 2128.38 1732.71 90.37 o
5 -6 1 6.74 6.66 16.37 o
-8 -5 1 347.50 335.78 44.52 o
-7 -5 1 384.11 420.98 34.70 o
-6 -5 1 467.26 548.16 38.65 o
-5 -5 1 16.57 11.95 9.77 o
-4 -5 1 746.99 714.18 44.36 o
-3 -5 1 95.59 104.29 14.02 o
-2 -5 1 4125.58 3900.11 217.30 o
-1 -5 1 3425.25 3472.75 191.98 o
0 -5 1 4837.78 5068.65 224.45 o
1 -5 1 187.01 174.10 17.12 o
2 -5 1 2851.41 2722.85 220.81 o
3 -5 1 1206.92 1235.57 116.05 o
4 -5 1 796.85 593.77 40.49 o
5 -5 1 1341.08 1290.78 72.37 o
6 -5 1 51.03 66.05 33.68 o
-8 -4 1 61.51 50.23 18.28 o
-7 -4 1 1695.80 2066.11 121.58 o
-6 -4 1 1256.55 1412.17 84.42 o
-5 -4 1 630.56 651.15 42.52 o
-4 -4 1 1373.89 1455.71 83.87 o
-3 -4 1 1909.78 2329.05 129.84 o
-2 -4 1 510.98 410.18 30.17 o
-1 -4 1 1066.91 1138.59 67.31 o
0 -4 1 8603.23 8834.94 388.32 o
1 -4 1 3447.20 3495.17 157.45 o
2 -4 1 18.33 6.93 17.95 o
3 -4 1 3129.17 2968.01 240.31 o
4 -4 1 31.98 1.84 13.44 o
5 -4 1 72.10 94.44 32.66 o
6 -4 1 38.74 39.32 29.79 o
-8 -3 1 19.99 -3.23 15.13 o
-7 -3 1 284.88 331.39 41.73 o
-6 -3 1 6122.49 7095.41 392.61 o
-5 -3 1 347.01 327.85 26.22 o
-4 -3 1 135.45 190.43 24.00 o
-3 -3 1 3216.96 3966.71 217.72 o
-2 -3 1 41.52 47.05 11.05 o
-1 -3 1 1034.89 913.97 53.25 o
0 -3 1 8.00 16.49 5.82 o
1 -3 1 6836.12 7021.01 452.85 o
2 -3 1 2665.57 2428.23 194.18 o
3 -3 1 2376.55 1768.39 87.92 o
4 -3 1 57.83 58.57 14.33 o
5 -3 1 1214.45 1252.55 111.34 o
6 -3 1 608.32 578.19 63.58 o
7 -3 1 98.56 94.41 32.25 o
-8 -2 1 262.99 241.11 50.30 o
-7 -2 1 681.91 764.95 69.98 o
-6 -2 1 299.77 289.41 25.43 o
-5 -2 1 626.37 677.12 43.59 o
-4 -2 1 11638.04 14378.03 883.63 o
-3 -2 1 8604.11 9397.20 512.20 o
-2 -2 1 1007.98 1111.64 62.75 o
-1 -2 1 3824.11 3571.01 195.71 o
0 -2 1 87.54 113.57 11.65 o
1 -2 1 464.84 461.78 37.36 o
2 -2 1 1099.34 945.36 82.90 o
3 -2 1 9701.87 9738.78 438.99 o
4 -2 1 2626.16 2854.18 223.62 o
5 -2 1 306.02 364.80 46.48 o
6 -2 1 512.09 531.36 57.23 o
7 -2 1 38.51 42.45 24.56 o
-8 -1 1 31.64 38.34 19.03 o
-7 -1 1 65.28 43.43 16.39 o
-6 -1 1 3936.88 4190.79 235.10 o
-5 -1 1 384.89 411.53 29.98 o
-4 -1 1 292.34 280.83 21.09 o
-3 -1 1 21732.59 25045.17 1363.82 o
-2 -1 1 2486.50 2863.86 157.84 o
-1 -1 1 1708.17 1719.51 94.95 o
0 -1 1 31.15 27.04 4.97 o
2 -1 1 6708.71 7014.58 312.63 o
3 -1 1 937.17 964.63 81.17 o
4 -1 1 3679.97 4146.67 315.26 o
5 -1 1 635.79 716.16 66.18 o
6 -1 1 3438.19 3440.82 266.21 o
7 -1 1 3.56 18.74 24.24 o
8 -1 1 340.68 330.84 47.53 o
-8 0 1 47.09 39.20 20.20 o
-7 0 1 221.18 264.34 27.92 o
-6 0 1 177.07 192.06 28.51 o
-5 0 1 654.91 666.24 57.94 o
-4 0 1 2417.66 2629.51 198.77 o
-3 0 1 970.26 1077.78 83.57 o
-2 0 1 2127.57 2401.04 179.07 o
-1 0 1 4054.17 4760.83 258.00 o
0 0 1 6139.84 3571.81 291.05 o
1 0 1 100.30 107.28 8.99 o
2 0 1 21064.68 23374.52 1719.67 o
3 0 1 9.51 2.08 9.01 o
4 0 1 1258.31 1382.16 109.85 o
5 0 1 44.26 68.53 18.39 o
6 0 1 3434.83 3718.37 284.86 o
7 0 1 1133.65 1331.74 113.50 o
8 0 1 13.47 -1.75 24.79 o
-8 1 1 29.07 16.13 18.63 o
-7 1 1 993.76 1027.44 89.18 o
-6 1 1 42.82 71.22 20.82 o
-5 1 1 828.45 881.70 74.25 o
-4 1 1 1506.23 1540.54 120.64 o
-3 1 1 8163.39 9088.42 672.43 o
-2 1 1 3138.02 3442.26 257.18 o
-1 1 1 1284.40 1427.30 108.42 o
0 1 1 22618.37 20574.29 1526.80 o
1 1 1 8693.90 8756.88 651.47 o
2 1 1 7691.90 8312.92 612.92 o
3 1 1 332.03 351.45 31.98 o
4 1 1 48.24 61.22 13.54 o
5 1 1 10.54 25.41 15.23 o
6 1 1 325.76 417.65 44.23 o
7 1 1 86.24 94.06 25.38 o
8 1 1 136.32 123.53 30.96 o
-7 2 1 126.72 112.77 28.04 o
-6 2 1 1650.78 1534.14 124.79 o
-5 2 1 10.75 18.01 14.50 o
-4 2 1 1867.80 2063.75 160.95 o
-3 2 1 275.70 293.12 29.92 o
-1 2 1 6985.95 6238.50 465.36 o
0 2 1 5082.28 5459.21 287.23 o
1 2 1 7441.39 7636.99 398.91 o
2 2 1 19783.85 21894.37 1609.52 o
3 2 1 9360.80 9516.98 702.54 o
4 2 1 283.22 308.45 30.96 o
5 2 1 149.10 169.37 23.27 o
6 2 1 5.96 44.12 18.13 o
7 2 1 482.44 569.36 56.39 o
8 2 1 8.98 -4.24 20.38 o
-7 3 1 109.97 165.04 32.34 o
-6 3 1 263.95 311.57 40.49 o
-5 3 1 625.30 547.03 54.40 o
-4 3 1 1928.83 2036.30 162.38 o
-3 3 1 358.91 327.42 23.17 o
-2 3 1 6744.31 6549.90 494.04 o
-1 3 1 4379.52 4087.21 309.44 o
0 3 1 11783.67 12378.70 647.61 o
1 3 1 4399.52 4214.47 221.74 o
2 3 1 1.14 1.27 2.47 o
3 3 1 13323.40 13868.00 1022.01 o
4 3 1 4019.34 4312.44 322.48 o
5 3 1 1163.07 1128.55 91.08 o
6 3 1 42.84 78.47 19.65 o
7 3 1 34.36 47.01 23.24 o
8 3 1 100.85 89.26 19.47 o
-7 4 1 18.43 8.74 25.29 o
-6 4 1 1573.18 1584.27 133.24 o
-5 4 1 1.85 16.52 21.72 o
-4 4 1 434.78 435.38 29.88 o
-3 4 1 3476.59 4081.10 318.65 o
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-1 4 1 3120.31 3207.21 247.41 o
0 4 1 189.32 195.43 15.67 o
1 4 1 644.77 628.53 29.55 o
3 4 1 5928.10 6521.88 357.11 o
4 4 1 42.58 44.79 8.82 o
5 4 1 1959.70 1877.15 107.45 o
6 4 1 3623.87 3847.03 215.61 o
7 4 1 344.91 289.14 27.07 o
8 4 1 9.94 18.77 14.68 o
-6 5 1 33.12 29.30 26.84 o
-5 5 1 2.76 -6.37 22.78 o
-4 5 1 1777.10 1660.72 84.70 o
-3 5 1 1282.29 1200.11 111.28 o
-2 5 1 990.90 647.00 66.76 o
-1 5 1 68.07 75.57 13.53 o
0 5 1 9.02 6.46 6.36 o
1 5 1 11528.37 11440.49 599.93 o
2 5 1 3368.35 3398.21 151.31 o
3 5 1 4515.18 4601.50 253.70 o
4 5 1 2444.78 2370.55 132.90 o
5 5 1 20.51 19.34 9.43 o
6 5 1 1298.05 1445.79 216.15 o
7 5 1 258.46 321.73 28.41 o
8 5 1 774.89 683.66 66.79 o
-5 6 1 1483.20 1579.02 83.66 o
-4 6 1 319.90 303.54 32.17 o
-3 6 1 487.13 409.70 60.22 o
-2 6 1 122.61 87.36 39.43 o
-1 6 1 1937.99 2018.12 113.97 o
0 6 1 1591.29 1769.51 98.96 o
1 6 1 4.43 -2.74 6.07 o
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3 6 1 1039.22 949.57 54.10 o
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5 6 1 265.49 262.96 32.63 o
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7 6 1 1.87 9.68 18.39 o
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-5 7 1 26.39 1.47 15.55 o
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-3 7 1 435.12 277.02 51.46 o
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2 7 1 21.19 29.34 8.96 o
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5 7 1 676.42 573.28 53.67 o
6 7 1 431.12 469.86 47.59 o
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8 7 1 1.04 2.05 21.17 o
-4 8 1 147.52 92.59 26.75 o
-3 8 1 61.09 21.67 32.57 o
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-1 8 1 760.13 714.61 78.75 o
0 8 1 528.52 527.86 60.60 o
1 8 1 1.75 -3.28 8.70 o
2 8 1 3294.33 3497.23 188.65 o
3 8 1 1060.62 1082.82 63.05 o
4 8 1 484.86 441.45 45.57 o
5 8 1 361.30 277.81 35.12 o
6 8 1 260.71 202.91 31.34 o
7 8 1 420.29 383.42 47.50 o
8 8 1 130.44 140.66 33.04 o
-3 9 1 108.43 126.16 49.38 o
-2 9 1 36.00 13.92 33.97 o
-1 9 1 1.24 -0.29 28.74 o
0 9 1 1250.57 1387.05 126.83 o
1 9 1 13.40 0.06 19.82 o
2 9 1 3.20 13.13 18.51 o
3 9 1 114.71 101.53 15.32 o
4 9 1 384.36 341.80 42.15 o
5 9 1 473.48 412.25 46.24 o
6 9 1 6.99 -9.85 17.92 o
7 9 1 808.23 668.28 65.42 o
-1 10 1 20.31 42.48 35.29 o
0 10 1 20.83 -0.91 30.82 o
1 10 1 861.75 1030.69 101.26 o
2 10 1 43.43 59.35 25.79 o
3 10 1 1.07 -3.42 20.38 o
4 10 1 101.25 95.05 25.35 o
5 10 1 409.83 391.76 46.48 o
6 10 1 16.88 33.18 25.03 o
1 11 1 278.81 352.99 58.29 o
2 11 1 35.01 45.81 28.21 o
3 11 1 298.99 397.40 53.90 o
4 11 1 231.36 184.28 36.23 o
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-5 -10 2 602.05 671.35 70.07 o
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-3 -10 2 9.02 17.02 25.03 o
-2 -10 2 1.06 5.64 27.19 o
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