#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2214871.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_2214871_Fobs
loop_
_publ_author_name
'Markowitz, Brian M. E.'
'Turnbull, Mark M.'
'Awwadi, Firas F.'
_publ_section_title
;
 Dibromidobis(quinoxaline-\k<i>N</i>)zinc(II)
;
_journal_coeditor_code           TK2172
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2043
_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                80.067
_cell_angle_beta                 86.260
_cell_angle_gamma                73.940
_cell_length_a                   8.2527
_cell_length_b                   8.6670
_cell_length_c                   12.4651
_exptl_crystal_F_000             472.00
_reflns_d_resolution_high        0.8536
_[local]_cod_data_source_file    tk2172Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' fa261a in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            201.13
_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
3 0 0 3061.05 3055.20 146.23 o
4 0 0 6380.13 6286.10 194.35 o
5 0 0 1648.44 1684.28 66.40 o
6 0 0 4566.56 4727.91 131.31 o
7 0 0 2031.94 2209.89 80.58 o
8 0 0 221.17 179.43 65.28 o
9 0 0 10.02 45.14 68.64 o
-8 1 0 253.95 302.54 66.77 o
-7 1 0 0.01 -54.09 54.09 o
-6 1 0 641.91 628.20 45.51 o
-5 1 0 172.72 174.96 35.07 o
-4 1 0 871.33 733.77 43.27 o
-3 1 0 519.26 368.94 33.20 o
-1 1 0 1523.85 1256.03 55.21 o
0 1 0 1539.82 1735.40 88.60 o
1 1 0 6847.38 7232.39 112.75 o
2 1 0 1513.58 1466.42 54.46 o
3 1 0 3.19 3.36 20.89 o
4 1 0 1774.42 1780.89 71.62 o
5 1 0 5.12 -1.87 30.22 o
6 1 0 52.34 48.87 34.69 o
7 1 0 667.89 720.34 44.39 o
8 1 0 469.15 495.40 66.03 o
9 1 0 7.77 95.13 64.91 o
-8 2 0 63.75 118.25 66.40 o
-7 2 0 7.54 -20.89 57.08 o
-6 2 0 421.95 390.95 41.03 o
-5 2 0 1846.44 1867.07 69.01 o
-4 2 0 2812.69 3026.85 132.06 o
-3 2 0 2093.72 2138.27 78.71 o
-2 2 0 449.58 434.59 32.45 o
-1 2 0 34.01 9.74 16.74 o
0 2 0 1352.58 1578.45 62.11 o
1 2 0 1247.99 1523.46 41.92 o
2 2 0 4.49 31.34 23.87 o
3 2 0 539.10 555.08 30.22 o
4 2 0 1266.73 1442.55 61.55 o
5 2 0 2470.51 2543.01 117.88 o
6 2 0 2328.94 2464.68 103.71 o
7 2 0 247.16 258.89 38.80 o
8 2 0 0.77 -49.24 55.96 o
9 2 0 10.49 101.47 61.92 o
-8 3 0 47.77 71.62 70.88 o
-7 3 0 53.18 10.45 62.30 o
-6 3 0 222.30 313.73 55.96 o
-5 3 0 106.66 126.09 38.05 o
-4 3 0 787.80 655.43 45.51 o
-3 3 0 1635.32 1610.79 60.81 o
-2 3 0 993.76 942.30 49.99 o
-1 3 0 0.66 17.57 17.77 o
0 3 0 452.95 515.98 20.96 o
1 3 0 3.25 23.35 17.35 o
2 3 0 1489.43 1726.06 72.74 o
3 3 0 3065.12 3193.97 142.50 o
4 3 0 1448.27 1457.84 60.81 o
5 3 0 122.70 165.63 32.45 o
6 3 0 85.30 85.80 35.81 o
7 3 0 181.99 149.96 38.05 o
8 3 0 46.33 10.07 59.69 o
9 3 0 316.34 445.41 70.88 o
-7 4 0 76.23 -5.60 68.27 o
-6 4 0 954.23 1170.60 72.74 o
-5 4 0 2455.49 2632.92 89.90 o
-4 4 0 1601.27 1504.10 56.33 o
-3 4 0 623.17 592.01 41.78 o
-2 4 0 1257.80 1324.29 57.08 o
-1 4 0 2474.70 2383.84 241.54 o
0 4 0 8640.26 8895.45 525.80 o
1 4 0 13223.78 14067.56 350.47 o
2 4 0 9249.63 9643.46 226.81 o
3 4 0 2737.95 2812.35 136.91 o
4 4 0 1312.04 1321.31 57.82 o
5 4 0 242.32 212.63 36.18 o
6 4 0 1790.24 1786.49 63.42 o
7 4 0 1885.01 1963.31 83.19 o
8 4 0 1004.34 1128.82 76.10 o
9 4 0 37.90 42.53 66.77 o
-6 5 0 6.18 -8.95 64.54 o
-5 5 0 372.72 421.16 67.15 o
-4 5 0 860.11 934.09 68.64 o
-3 5 0 417.30 382.37 43.65 o
-2 5 0 9.01 -5.97 36.18 o
-1 5 0 101.82 92.27 25.17 o
0 5 0 34.20 33.56 27.05 o
1 5 0 1165.97 1249.31 45.14 o
2 5 0 3691.23 3637.14 145.49 o
3 5 0 2069.02 2009.57 75.35 o
4 5 0 127.33 123.48 36.93 o
5 5 0 44.34 15.29 36.18 o
6 5 0 160.00 166.38 39.17 o
7 5 0 179.61 210.77 58.19 o
8 5 0 587.12 827.78 74.23 o
9 5 0 433.08 389.45 78.71 o
-5 6 0 142.22 18.28 68.27 o
-4 6 0 521.33 452.87 69.39 o
-3 6 0 792.36 771.82 67.52 o
-2 6 0 1279.61 1284.75 54.84 o
-1 6 0 3.04 62.25 26.34 o
0 6 0 104.98 111.14 27.01 o
1 6 0 696.93 770.73 31.62 o
2 6 0 802.50 756.90 43.65 o
3 6 0 192.58 176.82 33.95 o
4 6 0 102.20 191.74 36.93 o
5 6 0 410.84 315.96 43.27 o
6 6 0 1118.02 857.99 72.37 o
7 6 0 327.53 286.87 61.55 o
8 6 0 109.37 122.36 64.16 o
-4 7 0 9.03 -33.20 64.54 o
-3 7 0 548.53 496.52 72.00 o
-2 7 0 1226.13 1160.15 78.71 o
-1 7 0 644.74 717.63 46.79 o
0 7 0 139.19 131.20 29.28 o
1 7 0 7.81 22.37 26.75 o
2 7 0 43.11 32.45 36.93 o
3 7 0 769.18 774.80 42.53 o
4 7 0 875.18 875.15 45.51 o
5 7 0 1693.15 1604.07 77.22 o
6 7 0 4.25 86.17 56.70 o
7 7 0 31.30 -33.95 63.79 o
8 7 0 21.32 12.68 70.13 o
-3 8 0 355.95 276.80 76.85 o
-2 8 0 77.92 70.13 66.40 o
-1 8 0 64.39 54.51 45.88 o
0 8 0 614.11 614.26 51.69 o
1 8 0 484.90 427.99 52.79 o
2 8 0 1255.61 1280.27 76.47 o
3 8 0 700.89 698.33 59.69 o
4 8 0 658.38 620.74 63.04 o
5 8 0 20.93 30.96 55.21 o
6 8 0 10.45 -61.18 63.04 o
7 8 0 179.80 132.43 70.13 o
-1 9 0 5.06 -51.95 51.95 o
0 9 0 1.09 50.07 50.13 o
1 9 0 74.05 66.29 52.23 o
2 9 0 268.25 349.54 65.28 o
3 9 0 518.80 498.01 64.54 o
4 9 0 385.57 365.21 66.40 o
5 9 0 209.02 151.83 62.30 o
6 9 0 5.88 96.99 66.77 o
-6 -9 1 20.14 -70.88 70.88 o
-5 -9 1 1.49 80.58 58.19 o
-4 -9 1 35.99 -63.42 63.42 o
-3 -9 1 241.09 306.27 63.42 o
-2 -9 1 579.68 614.02 78.34 o
-1 -9 1 570.34 548.22 72.37 o
0 -9 1 213.22 248.06 71.25 o
1 -9 1 42.22 40.81 66.03 o
-7 -8 1 18.66 115.64 67.15 o
-6 -8 1 0.84 -57.45 64.91 o
-5 -8 1 174.32 176.07 56.33 o
-4 -8 1 316.95 280.90 57.45 o
-3 -8 1 51.24 65.66 51.48 o
-2 -8 1 18.29 32.45 57.45 o
-1 -8 1 162.82 221.24 61.37 o
0 -8 1 393.36 433.79 55.21 o
1 -8 1 206.59 197.20 48.53 o
2 -8 1 0.46 -69.01 69.01 o
3 -8 1 0.94 50.36 70.88 o
-8 -7 1 39.77 61.18 73.12 o
-7 -7 1 375.29 403.63 72.37 o
-6 -7 1 1335.68 1171.72 82.81 o
-5 -7 1 753.45 641.63 64.91 o
-4 -7 1 166.51 153.69 35.81 o
-3 -7 1 55.55 29.84 33.57 o
-2 -7 1 48.70 20.89 38.42 o
-1 -7 1 373.57 341.28 46.63 o
0 -7 1 905.82 939.00 51.11 o
1 -7 1 1293.57 1410.30 56.18 o
2 -7 1 130.72 143.25 61.92 o
3 -7 1 10.12 -3.36 61.55 o
4 -7 1 3.28 -70.13 70.13 o
-8 -6 1 0.13 -3.73 64.54 o
-7 -6 1 56.61 33.95 60.06 o
-6 -6 1 242.28 221.59 58.94 o
-5 -6 1 3250.74 2935.45 102.21 o
-4 -6 1 2243.00 2072.98 99.97 o
-3 -6 1 435.40 368.56 36.18 o
-2 -6 1 450.37 553.22 40.66 o
-1 -6 1 677.05 740.28 32.13 o
0 -6 1 727.36 761.69 123.48 o
1 -6 1 2413.98 2447.80 199.76 o
2 -6 1 3973.57 4219.08 115.27 o
3 -6 1 42.65 85.80 56.70 o
4 -6 1 82.26 18.28 61.18 o
5 -6 1 17.06 37.30 65.66 o
-9 -5 1 7.22 -30.22 68.64 o
-8 -5 1 110.11 124.60 61.92 o
-7 -5 1 271.31 395.42 59.31 o
-6 -5 1 2567.72 2668.36 93.63 o
-5 -5 1 9.20 20.89 34.32 o
-4 -5 1 32.79 3.73 35.07 o
-3 -5 1 30.52 54.84 29.47 o
-2 -5 1 851.28 937.45 41.03 o
-1 -5 1 3621.94 4070.63 158.36 o
0 -5 1 2507.90 2839.64 93.18 o
1 -5 1 754.35 771.71 32.29 o
2 -5 1 26.70 49.24 36.93 o
3 -5 1 114.06 130.19 40.29 o
4 -5 1 480.83 427.88 60.43 o
5 -5 1 560.80 563.29 70.88 o
6 -5 1 420.82 336.48 74.23 o
-9 -4 1 274.26 292.84 73.86 o
-8 -4 1 597.77 561.05 69.76 o
-7 -4 1 116.13 33.20 55.21 o
-6 -4 1 14.00 79.46 33.95 o
-5 -4 1 268.72 264.11 36.93 o
-4 -4 1 963.19 997.51 43.65 o
-3 -4 1 1271.12 1306.76 55.21 o
-2 -4 1 2532.26 2677.68 130.19 o
-1 -4 1 15.72 -4.28 40.29 o
0 -4 1 3375.46 3804.48 186.71 o
1 -4 1 1556.68 1469.86 197.52 o
2 -4 1 816.63 900.89 43.65 o
3 -4 1 216.59 250.68 39.54 o
4 -4 1 221.70 236.51 39.54 o
5 -4 1 72.18 103.33 55.58 o
6 -4 1 712.50 731.16 68.64 o
7 -4 1 585.09 527.85 80.58 o
-9 -3 1 64.91 156.30 65.28 o
-8 -3 1 96.14 152.20 58.57 o
-7 -3 1 211.31 224.94 38.42 o
-6 -3 1 332.30 297.69 38.80 o
-5 -3 1 3005.80 3046.99 123.85 o
-4 -3 1 2183.89 2316.58 82.44 o
-3 -3 1 792.66 807.63 35.44 o
-2 -3 1 342.54 363.34 30.59 o
-1 -3 1 2.55 5.16 16.30 o
0 -3 1 472.12 519.05 34.32 o
1 -3 1 3478.32 3514.54 122.53 o
2 -3 1 2020.94 2211.01 88.04 o
3 -3 1 791.46 714.00 44.39 o
4 -3 1 139.18 105.94 36.18 o
5 -3 1 124.95 145.49 38.05 o
6 -3 1 5.27 -55.58 55.58 o
7 -3 1 356.70 462.57 68.64 o
8 -3 1 94.59 88.78 74.98 o
-9 -2 1 362.98 383.86 76.10 o
-8 -2 1 220.82 286.87 62.67 o
-7 -2 1 50.80 89.16 36.18 o
-6 -2 1 311.55 326.41 36.56 o
-5 -2 1 4534.25 4533.56 148.10 o
-4 -2 1 12117.14 12640.84 252.92 o
-3 -2 1 10788.05 10964.77 239.49 o
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-1 -2 1 7441.67 8231.62 152.86 o
0 -2 1 7867.93 9005.78 745.52 o
1 -2 1 6075.72 6841.18 214.87 o
2 -2 1 12259.61 13116.09 290.97 o
3 -2 1 11990.94 11786.95 262.62 o
4 -2 1 4538.65 4731.27 159.29 o
5 -2 1 386.49 398.41 39.92 o
6 -2 1 74.06 74.98 37.30 o
7 -2 1 230.35 230.17 63.42 o
8 -2 1 543.38 573.36 77.59 o
-9 -1 1 152.67 221.59 68.64 o
-8 -1 1 42.45 33.57 56.70 o
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-6 -1 1 1337.53 1426.13 53.72 o
-5 -1 1 621.92 674.46 36.93 o
-4 -1 1 1.00 -5.22 26.11 o
-3 -1 1 612.30 509.95 28.35 o
-2 -1 1 185.14 155.18 24.25 o
-1 -1 1 92.23 133.85 27.05 o
0 -1 1 5863.50 6196.80 279.03 o
2 -1 1 278.20 297.69 29.10 o
3 -1 1 321.97 311.49 31.71 o
4 -1 1 224.58 213.75 32.45 o
5 -1 1 174.43 153.69 35.81 o
6 -1 1 596.80 625.59 44.02 o
7 -1 1 425.38 438.70 61.55 o
8 -1 1 49.63 97.36 63.79 o
-9 0 1 306.68 364.09 74.98 o
-8 0 1 935.16 1053.09 74.98 o
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-6 0 1 336.60 321.56 39.54 o
-5 0 1 63.94 104.82 31.71 o
-4 0 1 40.94 40.66 26.86 o
-3 0 1 549.47 516.29 30.22 o
3 0 1 669.42 667.00 33.57 o
4 0 1 49.18 39.92 29.47 o
5 0 1 19.65 -5.60 32.45 o
6 0 1 193.66 248.44 38.05 o
7 0 1 884.82 953.49 46.63 o
8 0 1 1276.72 1385.84 78.34 o
9 0 1 105.07 102.96 70.13 o
-8 1 1 0.26 38.05 61.55 o
-7 1 1 263.72 197.34 58.94 o
-6 1 1 25.49 68.64 35.81 o
-5 1 1 12.61 35.81 32.83 o
-4 1 1 1006.19 761.37 45.14 o
-2 1 1 1.92 -10.45 22.01 o
1 1 1 197.66 239.82 17.35 o
2 1 1 2356.15 2416.18 87.66 o
3 1 1 1896.92 1866.69 73.49 o
4 1 1 259.98 269.33 32.83 o
5 1 1 278.20 202.56 34.69 o
6 1 1 605.76 598.73 41.78 o
7 1 1 199.58 178.31 39.92 o
8 1 1 135.66 220.84 59.31 o
9 1 1 69.53 82.81 69.76 o
-8 2 1 366.21 478.24 72.37 o
-7 2 1 428.24 425.64 63.79 o
-6 2 1 32.25 50.36 36.56 o
-5 2 1 1286.27 1257.15 48.50 o
-4 2 1 4498.28 4582.42 151.83 o
-3 2 1 6613.53 6340.94 193.61 o
-2 2 1 14989.75 14548.94 293.58 o
-1 2 1 40454.19 39585.52 455.11 o
0 2 1 49.29 43.71 16.60 o
1 2 1 45.99 47.69 16.14 o
2 2 1 38638.94 37850.14 451.75 o
3 2 1 13117.46 12705.00 270.45 o
4 2 1 8509.35 8280.37 219.72 o
5 2 1 4044.91 4190.73 147.72 o
6 2 1 1590.09 1558.19 59.69 o
7 2 1 15.50 12.68 37.30 o
8 2 1 213.22 264.11 64.16 o
9 2 1 545.54 546.13 75.35 o
-8 3 1 164.53 356.63 72.00 o
-7 3 1 320.30 312.23 66.77 o
-6 3 1 89.30 78.71 56.33 o
-5 3 1 37.01 67.52 36.18 o
-4 3 1 173.32 177.19 35.44 o
-3 3 1 166.47 100.72 33.57 o
-2 3 1 1435.62 1409.72 57.08 o
-1 3 1 2607.88 2566.57 68.58 o
0 3 1 415.19 511.83 46.63 o
1 3 1 515.42 556.15 20.23 o
2 3 1 615.54 680.43 32.83 o
3 3 1 47.67 68.27 26.49 o
4 3 1 1688.30 1780.15 68.64 o
5 3 1 1869.26 1815.96 71.62 o
6 3 1 246.27 250.68 38.42 o
7 3 1 8.02 -6.71 36.56 o
8 3 1 215.55 275.68 60.43 o
9 3 1 15.27 22.76 66.77 o
-7 4 1 661.26 634.91 79.08 o
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-5 4 1 135.31 74.98 55.96 o
-4 4 1 2.32 15.29 35.81 o
-3 4 1 1.09 -34.32 34.32 o
-2 4 1 1260.61 1329.14 52.60 o
-1 4 1 1485.32 1492.37 211.70 o
0 4 1 1241.61 1265.93 39.42 o
1 4 1 54.94 47.98 27.42 o
2 4 1 650.88 697.59 34.32 o
3 4 1 1419.50 1451.50 63.04 o
4 4 1 987.89 987.06 43.65 o
5 4 1 0.80 -7.83 33.57 o
6 4 1 22.23 26.49 36.56 o
7 4 1 32.33 30.22 37.30 o
8 4 1 690.76 510.32 71.62 o
9 4 1 666.84 781.52 79.08 o
-6 5 1 439.01 535.69 73.12 o
-5 5 1 335.00 311.12 64.16 o
-4 5 1 2.08 -36.18 36.18 o
-3 5 1 0.00 -35.44 37.68 o
-2 5 1 40.57 8.58 36.56 o
-1 5 1 355.81 380.20 27.29 o
0 5 1 2040.66 2224.04 75.54 o
1 5 1 2789.43 3168.38 183.16 o
2 5 1 466.93 476.00 36.18 o
3 5 1 7.82 29.10 27.98 o
4 5 1 46.28 23.87 34.32 o
5 5 1 206.56 193.23 39.54 o
6 5 1 248.44 293.58 39.54 o
7 5 1 1037.49 969.16 71.62 o
8 5 1 229.21 186.15 67.15 o
9 5 1 0.12 -69.76 69.76 o
-5 6 1 12.61 8.95 64.91 o
-4 6 1 25.83 -4.85 58.19 o
-3 6 1 1755.74 1717.10 82.07 o
-2 6 1 1654.01 1745.45 59.31 o
-1 6 1 3930.52 3938.45 228.67 o
0 6 1 2634.42 2714.68 132.06 o
1 6 1 468.31 430.96 36.74 o
2 6 1 349.96 320.07 37.68 o
3 6 1 2084.65 2006.21 97.74 o
4 6 1 3361.23 3201.06 117.88 o
5 6 1 2214.98 2064.78 93.63 o
6 6 1 1540.74 1362.72 78.34 o
7 6 1 33.39 111.17 57.08 o
8 6 1 8.92 -62.30 67.52 o
9 6 1 32.48 76.47 73.12 o
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-3 7 1 6.90 47.75 59.31 o
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-1 7 1 971.29 996.83 49.80 o
0 7 1 1012.10 1037.39 36.59 o
1 7 1 472.94 508.46 30.66 o
2 7 1 0.62 -16.79 36.56 o
3 7 1 13.78 -31.34 33.95 o
4 7 1 96.58 142.13 35.44 o
5 7 1 1622.05 1519.77 74.23 o
6 7 1 368.24 361.10 65.28 o
7 7 1 422.20 408.85 69.76 o
8 7 1 9.78 23.13 69.01 o
-3 8 1 4.64 -51.48 69.39 o
-2 8 1 21.84 -21.64 65.66 o
-1 8 1 11.42 33.20 43.10 o
0 8 1 522.46 435.36 49.84 o
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2 8 1 17.61 -53.34 54.46 o
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4 8 1 280.95 166.00 58.19 o
5 8 1 99.71 151.45 54.46 o
6 8 1 0.84 1.87 60.81 o
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-1 9 1 16.43 51.85 48.54 o
0 9 1 183.36 148.31 53.33 o
1 9 1 519.92 580.30 185.77 o
2 9 1 568.52 589.78 72.74 o
3 9 1 234.36 293.58 59.69 o
4 9 1 84.32 33.95 62.67 o
5 9 1 13.40 8.95 61.18 o
6 9 1 22.30 51.48 64.54 o
3 10 1 19.35 -67.15 67.15 o
-5 -9 2 195.77 149.96 61.55 o
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-3 -9 2 694.68 666.62 76.47 o
-2 -9 2 232.66 165.63 75.35 o
-1 -9 2 33.62 156.75 48.63 o
0 -9 2 0.38 28.90 57.26 o
1 -9 2 4.29 73.81 52.86 o
-7 -8 2 30.89 153.69 66.03 o
-6 -8 2 5.42 24.62 68.27 o
-5 -8 2 34.01 62.30 55.96 o
-4 -8 2 130.96 135.04 55.58 o
-3 -8 2 394.57 396.54 62.30 o
-2 -8 2 993.99 1003.85 76.85 o
-1 -8 2 288.57 288.12 49.32 o
0 -8 2 82.75 63.26 79.46 o
1 -8 2 22.01 -27.04 48.60 o
2 -8 2 19.25 44.02 73.86 o
3 -8 2 90.57 87.66 73.12 o
-8 -7 2 13.53 -67.15 72.00 o
-7 -7 2 0.26 -31.71 62.67 o
-6 -7 2 129.59 282.39 59.69 o
-5 -7 2 658.33 610.67 66.77 o
-4 -7 2 1095.11 1039.29 64.54 o
-3 -7 2 612.35 575.97 41.41 o
-2 -7 2 154.56 161.53 40.29 o
-1 -7 2 29.13 24.92 28.48 o
0 -7 2 170.75 168.29 43.34 o
1 -7 2 692.12 695.96 50.66 o
2 -7 2 1140.58 1239.99 86.55 o
3 -7 2 600.83 567.02 77.22 o
4 -7 2 105.30 20.14 74.98 o
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