#------------------------------------------------------------------------------
#$Date: 2016-04-03 04:21:58 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181162 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/41/2224141.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_2224141_Fobs
loop_
_publ_author_name
'Ma, Chun-Hong'
'Yan, Yong-Sheng'
_publ_section_title
;
 Poly[triaqua(\m-butane-1,2,3,4-tetracarboxylato)dicadmium(II)]
;
_journal_coeditor_code           CI2945
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1555
_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                72.886
_cell_angle_beta                 85.748
_cell_angle_gamma                65.666
_cell_length_a                   7.4990
_cell_length_b                   7.9280
_cell_length_c                   11.9820
_exptl_crystal_F_000             488.00
_reflns_d_resolution_high        0.7299
_cod_data_source_file            ci2945Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ma'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            208.61
_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 0 742.34 798.73 18.61 o
2 0 0 6438.99 6688.26 68.47 o
3 0 0 4737.68 4524.61 103.91 o
4 0 0 33.43 63.39 23.25 o
5 0 0 5832.97 6092.99 114.95 o
6 0 0 317.39 278.01 50.09 o
7 0 0 3233.69 3470.61 134.30 o
8 0 0 2655.29 2849.49 135.15 o
9 0 0 1.64 29.63 61.86 o
-8 1 0 32.93 22.85 61.04 o
-7 1 0 532.74 604.61 72.40 o
-6 1 0 259.24 236.22 54.37 o
-5 1 0 589.85 580.14 43.13 o
-4 1 0 361.46 401.93 34.20 o
-3 1 0 742.60 805.18 53.51 o
-2 1 0 4359.03 4487.03 44.62 o
-1 1 0 14442.48 14085.66 135.30 o
0 1 0 483.84 478.62 23.66 o
1 1 0 9.46 20.96 8.30 o
2 1 0 5006.42 5003.58 33.14 o
3 1 0 221.91 233.38 13.84 o
4 1 0 10003.36 10547.01 181.56 o
5 1 0 5.09 5.56 6.23 o
6 1 0 43.63 45.52 25.47 o
7 1 0 4125.89 4058.93 135.62 o
8 1 0 34.77 35.86 42.97 o
9 1 0 1326.20 1264.64 101.98 o
-7 2 0 40.92 63.78 57.89 o
-6 2 0 2875.85 2804.35 127.63 o
-5 2 0 2846.98 2858.43 115.76 o
-4 2 0 358.71 395.11 37.49 o
-3 2 0 10069.77 10535.68 63.98 o
-2 2 0 279.93 278.98 18.66 o
-1 2 0 6981.15 7018.28 214.21 o
0 2 0 4321.38 4377.38 109.09 o
1 2 0 1004.15 1058.65 44.28 o
2 2 0 13031.00 12877.81 85.97 o
3 2 0 14.39 17.75 10.02 o
4 2 0 2672.26 2593.58 49.70 o
5 2 0 672.21 693.92 25.47 o
6 2 0 1102.20 1105.58 61.74 o
7 2 0 937.87 785.27 66.36 o
8 2 0 106.06 86.25 48.18 o
9 2 0 6.82 -16.52 51.40 o
-7 3 0 695.54 746.00 94.13 o
-6 3 0 798.66 754.09 83.57 o
-5 3 0 26.71 88.03 51.93 o
-4 3 0 6566.11 6982.31 132.44 o
-3 3 0 21.64 31.08 14.95 o
-2 3 0 905.86 897.21 29.53 o
-1 3 0 4835.49 4810.72 114.11 o
0 3 0 185.47 206.82 17.96 o
1 3 0 11971.61 11520.98 72.91 o
2 3 0 1908.70 1942.02 31.08 o
3 3 0 8194.07 8682.21 60.39 o
4 3 0 14130.83 14338.23 188.11 o
5 3 0 393.19 410.59 20.21 o
6 3 0 5159.87 5226.63 64.23 o
7 3 0 169.11 163.36 23.72 o
8 3 0 722.00 710.86 67.47 o
9 3 0 1750.99 1684.03 102.29 o
10 3 0 39.70 69.24 64.93 o
-6 4 0 1690.16 1575.11 119.27 o
-5 4 0 708.04 763.50 86.55 o
-4 4 0 613.26 666.01 39.53 o
-3 4 0 23.81 44.04 18.90 o
-2 4 0 165.67 145.87 22.45 o
-1 4 0 3121.34 3071.57 154.09 o
0 4 0 2332.03 2298.92 62.89 o
1 4 0 1.20 2.26 16.90 o
2 4 0 9.53 37.47 15.69 o
3 4 0 11454.33 11676.86 109.53 o
4 4 0 1151.01 1097.72 31.26 o
5 4 0 4044.24 3933.21 57.31 o
6 4 0 200.47 215.15 21.90 o
7 4 0 18.69 36.30 19.48 o
8 4 0 2578.03 2429.65 103.71 o
9 4 0 47.23 123.90 47.61 o
-5 5 0 893.69 687.57 88.78 o
-4 5 0 1675.06 1725.70 115.18 o
-3 5 0 149.02 147.30 25.12 o
-2 5 0 7675.68 8120.76 137.59 o
-1 5 0 669.41 579.19 42.64 o
0 5 0 729.32 737.84 31.53 o
1 5 0 2528.34 2580.05 51.92 o
2 5 0 253.06 244.18 18.95 o
3 5 0 13546.62 13757.63 240.10 o
4 5 0 5.17 8.61 15.64 o
5 5 0 1858.37 1835.63 45.06 o
6 5 0 4596.55 4554.38 67.07 o
7 5 0 921.34 894.17 35.78 o
8 5 0 1062.20 992.44 58.54 o
9 5 0 29.40 -0.36 45.55 o
-4 6 0 12.56 -0.89 68.66 o
-3 6 0 1555.50 1575.70 68.63 o
-2 6 0 151.43 130.72 35.98 o
-1 6 0 390.80 401.78 34.26 o
0 6 0 2764.34 2775.93 240.93 o
1 6 0 71.34 80.85 25.43 o
2 6 0 6396.83 6481.58 106.06 o
3 6 0 905.84 839.93 57.37 o
4 6 0 370.39 402.25 26.63 o
5 6 0 5597.94 5717.47 86.23 o
6 6 0 25.99 37.80 24.32 o
7 6 0 4246.90 4636.82 179.82 o
8 6 0 305.45 234.85 73.62 o
9 6 0 259.01 332.00 84.09 o
-3 7 0 336.78 454.42 91.88 o
-2 7 0 433.64 370.03 46.49 o
-1 7 0 728.20 724.70 72.55 o
0 7 0 2096.52 2179.02 163.24 o
1 7 0 122.50 108.19 28.78 o
2 7 0 341.47 327.67 36.85 o
3 7 0 339.29 386.57 53.25 o
4 7 0 1348.71 1427.79 41.71 o
5 7 0 147.98 202.18 28.93 o
6 7 0 1123.45 1064.01 63.93 o
7 7 0 48.62 78.76 41.77 o
8 7 0 69.37 85.41 64.41 o
-1 8 0 3076.84 3017.67 111.97 o
0 8 0 149.75 123.24 60.14 o
1 8 0 764.65 752.40 47.71 o
2 8 0 4332.59 4318.73 210.76 o
3 8 0 10.14 -7.68 32.62 o
4 8 0 3035.34 3179.53 96.09 o
5 8 0 577.72 585.74 53.91 o
6 8 0 323.85 218.46 42.47 o
7 8 0 2328.21 2482.64 96.64 o
8 8 0 67.74 56.35 69.03 o
-1 9 0 42.99 16.29 77.02 o
0 9 0 122.02 80.55 45.93 o
1 9 0 1434.39 1251.13 108.11 o
2 9 0 56.08 -3.22 59.24 o
3 9 0 952.18 846.17 95.23 o
4 9 0 385.55 384.93 88.78 o
5 9 0 76.68 66.15 39.89 o
6 9 0 2812.25 2765.61 143.68 o
7 9 0 0.10 42.14 46.17 o
8 9 0 1148.83 1443.92 125.68 o
-7 -9 1 608.43 702.80 96.99 o
-6 -9 1 1098.17 1171.95 104.55 o
-5 -9 1 39.32 79.84 40.50 o
-4 -9 1 1653.35 1650.47 80.56 o
-3 -9 1 6.83 15.52 63.03 o
-2 -9 1 716.76 515.05 82.23 o
-1 -9 1 1412.56 1325.65 112.78 o
-8 -8 1 444.08 477.92 93.41 o
-7 -8 1 7.98 20.19 65.35 o
-6 -8 1 1998.43 2341.46 134.18 o
-5 -8 1 115.72 114.76 65.10 o
-4 -8 1 808.98 872.96 59.29 o
-3 -8 1 129.63 128.53 37.28 o
-2 -8 1 424.57 446.52 56.09 o
-1 -8 1 1598.85 1649.14 68.32 o
0 -8 1 155.06 106.23 42.12 o
1 -8 1 2.60 64.04 58.30 o
-8 -7 1 21.30 34.13 67.39 o
-7 -7 1 2318.68 2641.43 147.66 o
-6 -7 1 51.71 29.10 35.46 o
-5 -7 1 2948.48 2900.11 77.88 o
-4 -7 1 5224.81 5331.66 125.37 o
-3 -7 1 103.15 95.17 34.30 o
-2 -7 1 7210.52 7364.41 264.29 o
-1 -7 1 2.24 -4.35 28.23 o
0 -7 1 851.78 764.29 57.11 o
1 -7 1 1032.56 1064.81 68.82 o
2 -7 1 31.72 0.84 61.37 o
-9 -6 1 271.46 116.88 83.35 o
-8 -6 1 905.84 909.54 102.37 o
-7 -6 1 205.04 227.05 78.02 o
-6 -6 1 13.36 40.02 27.32 o
-5 -6 1 1392.55 1399.24 46.24 o
-4 -6 1 114.61 80.09 19.56 o
-3 -6 1 5893.52 5830.40 103.88 o
-2 -6 1 217.69 190.48 32.50 o
-1 -6 1 900.84 865.85 45.83 o
0 -6 1 3116.46 3041.90 244.28 o
1 -6 1 466.95 444.74 32.55 o
2 -6 1 2372.51 2247.59 79.65 o
3 -6 1 394.72 493.25 81.73 o
4 -6 1 222.96 191.20 76.99 o
-9 -5 1 51.71 -23.14 71.44 o
-8 -5 1 1635.79 1700.83 69.98 o
-7 -5 1 1852.55 1904.76 85.43 o
-6 -5 1 97.04 102.22 27.77 o
-5 -5 1 4606.42 4605.65 71.86 o
-4 -5 1 237.40 249.07 19.71 o
-3 -5 1 4529.40 4614.97 64.17 o
-2 -5 1 3170.37 3022.86 55.30 o
-1 -5 1 52.15 68.32 21.51 o
0 -5 1 3407.61 3329.65 81.81 o
1 -5 1 399.94 406.20 27.67 o
2 -5 1 130.74 126.25 25.08 o
3 -5 1 148.19 162.91 33.20 o
4 -5 1 680.78 643.26 79.56 o
5 -5 1 790.03 709.23 87.05 o
-9 -4 1 884.79 749.17 70.98 o
-8 -4 1 2376.20 2255.46 127.76 o
-7 -4 1 91.11 93.41 19.53 o
-6 -4 1 4428.71 4619.20 102.16 o
-5 -4 1 91.35 81.07 14.93 o
-4 -4 1 993.52 963.84 26.93 o
-3 -4 1 10911.03 10675.50 79.73 o
-2 -4 1 4.49 6.59 16.82 o
-1 -4 1 13411.77 13081.03 123.78 o
0 -4 1 1840.13 1874.81 42.67 o
1 -4 1 1205.65 1199.90 46.74 o
2 -4 1 3760.96 3782.57 64.66 o
3 -4 1 198.25 164.26 30.92 o
4 -4 1 4170.71 4347.98 156.69 o
5 -4 1 422.06 486.30 73.09 o
-9 -3 1 4.76 59.59 44.00 o
-8 -3 1 1121.60 1188.49 76.08 o
-7 -3 1 2073.44 2074.79 55.70 o
-6 -3 1 607.13 555.09 38.58 o
-5 -3 1 0.45 10.21 14.39 o
-4 -3 1 1747.26 1713.20 28.82 o
-3 -3 1 2733.06 2797.57 54.83 o
-2 -3 1 556.54 548.85 24.98 o
-1 -3 1 4347.00 4415.13 56.02 o
0 -3 1 1759.74 1887.52 38.19 o
1 -3 1 10589.55 10680.69 192.08 o
2 -3 1 619.47 642.41 26.95 o
3 -3 1 4569.98 4625.71 159.31 o
4 -3 1 1001.28 1054.14 35.33 o
5 -3 1 47.22 50.74 46.23 o
6 -3 1 2785.94 2699.06 139.11 o
-9 -2 1 2682.60 2812.87 130.36 o
-8 -2 1 23.77 9.77 42.29 o
-7 -2 1 2572.17 2483.79 68.72 o
-6 -2 1 6357.58 6526.06 68.08 o
-5 -2 1 179.23 165.57 17.68 o
-4 -2 1 6966.57 6805.80 66.49 o
-3 -2 1 161.32 206.50 13.13 o
-2 -2 1 1721.55 1730.01 23.64 o
-1 -2 1 6835.99 6653.33 61.46 o
0 -2 1 334.95 298.84 37.29 o
1 -2 1 43519.00 44560.53 215.15 o
2 -2 1 21.21 10.02 13.59 o
3 -2 1 143.05 171.42 19.99 o
4 -2 1 1567.65 1637.23 40.13 o
5 -2 1 584.82 563.79 64.99 o
6 -2 1 1004.73 1042.28 88.62 o
7 -2 1 0.13 -22.04 56.50 o
-9 -1 1 14.21 24.50 51.03 o
-8 -1 1 409.63 395.72 62.22 o
-7 -1 1 3105.83 3105.02 115.65 o
-6 -1 1 53.29 37.17 11.02 o
-5 -1 1 5664.69 5654.70 82.98 o
-4 -1 1 1749.96 1896.26 30.92 o
-3 -1 1 778.46 762.79 33.07 o
-2 -1 1 28135.55 27978.16 91.79 o
-1 -1 1 1.04 13.29 20.19 o
0 -1 1 24714.42 24572.88 141.62 o
1 -1 1 5863.25 6227.80 72.13 o
2 -1 1 3895.94 4116.56 46.70 o
3 -1 1 18430.58 17804.50 742.04 o
4 -1 1 152.89 146.10 27.06 o
5 -1 1 7617.89 7947.35 179.99 o
6 -1 1 352.42 391.50 60.63 o
7 -1 1 144.89 143.76 56.60 o
8 -1 1 2793.13 2863.53 145.69 o
-9 0 1 690.75 690.74 86.67 o
-8 0 1 132.94 103.21 56.81 o
-7 0 1 2693.30 2859.13 119.57 o
-6 0 1 116.26 100.58 42.88 o
-5 0 1 564.03 560.57 39.38 o
-4 0 1 3183.54 3082.69 103.27 o
-3 0 1 1912.97 1926.68 32.68 o
-2 0 1 7939.14 8097.46 57.23 o
-1 0 1 322.01 290.26 23.53 o
1 0 1 3963.70 3991.73 57.46 o
2 0 1 4503.88 4510.93 81.83 o
3 0 1 712.83 658.88 43.56 o
4 0 1 708.89 730.73 38.78 o
5 0 1 415.53 442.31 30.36 o
6 0 1 16.92 37.24 39.46 o
7 0 1 2805.91 2723.21 123.29 o
8 0 1 86.32 87.25 55.34 o
-8 1 1 2320.04 2100.20 123.83 o
-7 1 1 578.40 523.91 70.80 o
-6 1 1 2075.90 2036.68 103.66 o
-5 1 1 5413.93 5603.67 247.00 o
-4 1 1 806.85 726.64 67.86 o
-3 1 1 19932.10 19578.66 179.73 o
-2 1 1 1590.50 1682.67 80.42 o
-1 1 1 779.37 786.48 16.80 o
0 1 1 23087.23 23173.76 123.66 o
1 1 1 38.31 53.13 9.33 o
2 1 1 7102.09 7077.54 42.27 o
3 1 1 838.04 847.51 17.71 o
4 1 1 365.00 368.60 28.96 o
5 1 1 4368.93 4606.55 90.87 o
6 1 1 412.41 389.83 53.43 o
7 1 1 1346.73 1250.73 85.43 o
8 1 1 150.95 181.86 55.07 o
9 1 1 82.38 138.04 64.25 o
-7 2 1 0.20 -4.32 48.17 o
-6 2 1 1176.05 1131.09 86.26 o
-5 2 1 983.03 887.88 70.38 o
-4 2 1 6471.69 6483.11 118.74 o
-3 2 1 312.04 284.22 19.80 o
-2 2 1 1451.78 1489.30 39.09 o
-1 2 1 7939.96 7788.18 233.91 o
0 2 1 650.04 631.06 28.17 o
1 2 1 7830.60 7555.95 112.69 o
2 2 1 8267.33 8101.29 72.60 o
3 2 1 26.07 40.20 11.07 o
4 2 1 20038.70 20305.68 280.95 o
5 2 1 229.02 214.72 19.15 o
6 2 1 4280.35 4257.76 51.16 o
7 2 1 2069.21 2073.04 99.65 o
8 2 1 12.85 34.35 47.49 o
9 2 1 2848.22 2962.61 141.07 o
-7 3 1 31.53 32.80 57.75 o
-6 3 1 2400.32 2524.61 130.25 o
-5 3 1 152.50 188.64 53.11 o
-4 3 1 82.06 110.57 19.59 o
-3 3 1 3614.20 3636.43 47.44 o
-2 3 1 1004.81 990.73 35.04 o
-1 3 1 7168.40 7188.84 210.61 o
0 3 1 128.60 155.66 16.12 o
1 3 1 106.81 112.18 12.65 o
2 3 1 935.03 822.56 22.99 o
3 3 1 6836.59 6764.96 94.55 o
4 3 1 2328.56 2331.85 35.83 o
5 3 1 201.27 202.63 17.13 o
6 3 1 1092.63 1181.11 48.72 o
7 3 1 1170.55 1123.87 40.71 o
8 3 1 2536.93 2692.39 118.01 o
9 3 1 3.28 29.94 52.61 o
10 3 1 325.22 321.06 72.50 o
-6 4 1 648.52 458.93 81.11 o
-5 4 1 384.72 414.44 70.52 o
-4 4 1 6406.56 6530.75 87.19 o
-3 4 1 561.68 545.87 25.43 o
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-1 4 1 872.33 992.24 56.42 o
0 4 1 264.20 230.82 18.05 o
1 4 1 20745.59 21356.38 232.14 o
2 4 1 359.71 384.79 21.27 o
3 4 1 9309.59 9353.34 111.79 o
4 4 1 7141.63 7191.45 110.01 o
5 4 1 13.99 17.24 17.95 o
6 4 1 4557.01 4500.68 62.35 o
7 4 1 165.96 160.60 43.92 o
8 4 1 1799.98 1659.06 93.10 o
9 4 1 410.63 380.38 61.82 o
10 4 1 0.18 28.70 63.65 o
-5 5 1 603.57 528.60 84.25 o
-4 5 1 263.88 281.22 68.93 o
-3 5 1 1578.75 1547.00 41.19 o
-2 5 1 328.98 359.13 35.34 o
-1 5 1 89.28 90.85 29.44 o
0 5 1 7490.56 7489.23 267.36 o
1 5 1 197.46 191.66 21.05 o
2 5 1 1030.82 1003.81 27.98 o
3 5 1 3540.23 3683.76 47.38 o
4 5 1 73.36 93.32 17.18 o
5 5 1 7674.33 7704.66 75.08 o
6 5 1 282.89 230.17 21.28 o
7 5 1 948.59 891.42 40.33 o
8 5 1 2095.32 2016.64 100.78 o
9 5 1 16.29 16.11 44.94 o
-4 6 1 488.25 404.58 78.58 o
-3 6 1 192.25 165.35 34.56 o
-2 6 1 3845.76 3742.06 99.29 o
-1 6 1 756.43 743.10 67.27 o
0 6 1 3359.74 3395.58 167.43 o
1 6 1 44.41 81.23 23.68 o
2 6 1 75.13 63.09 27.08 o
3 6 1 5760.39 5726.09 66.92 o
4 6 1 941.78 899.61 32.47 o
5 6 1 1433.44 1403.81 40.80 o
6 6 1 130.44 107.75 26.51 o
7 6 1 730.02 719.89 55.98 o
8 6 1 182.26 172.65 71.77 o
9 6 1 579.16 502.48 70.49 o
-3 7 1 2367.97 2404.18 145.76 o
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-1 7 1 2876.94 2854.15 148.36 o
0 7 1 2263.46 2364.42 63.44 o
1 7 1 165.38 204.37 56.36 o
2 7 1 6232.22 6429.85 204.13 o
3 7 1 2.15 2.39 18.65 o
4 7 1 3380.52 3284.59 80.10 o
5 7 1 3121.32 3248.93 94.44 o
6 7 1 97.48 79.77 36.37 o
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-1 8 1 344.94 284.62 72.19 o
0 8 1 334.71 232.21 61.46 o
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2 8 1 224.89 181.22 32.11 o
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5 8 1 16.92 23.13 34.93 o
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7 8 1 91.63 117.54 41.96 o
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-1 9 1 3011.76 2784.81 153.31 o
0 9 1 106.57 121.80 69.59 o
1 9 1 794.86 800.28 95.22 o
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3 9 1 14.03 33.72 58.02 o
4 9 1 1226.47 1017.37 97.11 o
5 9 1 162.15 205.07 58.97 o
6 9 1 730.22 750.60 61.52 o
7 9 1 878.27 912.50 111.99 o
8 9 1 173.73 147.72 48.35 o
-7 -9 2 2.27 -79.01 79.01 o
-6 -9 2 1531.70 1651.28 125.20 o
-5 -9 2 4.57 -9.62 61.75 o
-4 -9 2 157.16 144.21 60.29 o
-2 -9 2 100.55 87.50 56.91 o
-1 -9 2 748.97 609.68 81.83 o
-7 -8 2 1469.03 1563.76 128.59 o
-6 -8 2 407.09 418.18 80.76 o
-5 -8 2 71.90 74.08 57.82 o
-4 -8 2 3054.51 3228.51 139.61 o
-3 -8 2 24.71 6.63 50.45 o
-2 -8 2 3256.52 3172.89 124.18 o
-1 -8 2 651.69 658.45 51.11 o
0 -8 2 421.50 499.31 76.08 o
1 -8 2 2232.22 2715.96 152.21 o
-8 -7 2 87.09 205.15 83.23 o
-7 -7 2 49.84 74.64 66.83 o
-6 -7 2 321.04 337.05 77.30 o
-5 -7 2 1411.60 1372.95 103.15 o
-4 -7 2 872.01 859.77 41.58 o
-3 -7 2 368.23 283.92 50.12 o
-2 -7 2 266.98 286.29 38.40 o
-1 -7 2 133.47 107.07 30.78 o
0 -7 2 1425.84 1524.65 64.07 o
1 -7 2 71.10 67.82 30.48 o
2 -7 2 557.84 668.96 90.29 o
-8 -6 2 513.14 591.58 101.53 o
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