#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:43:23 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181281 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/59/2235967.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_2235967_Fobs
loop_
_publ_author_name
'Wang, Yu-Hong'
'Zhong, Qin'
'Song, Rui-Feng'
_publ_section_title
;
 Diiodido[methyl 2-(quinolin-8-yloxy)acetate-\k<i>N</i>]mercury(II)
;
_journal_coeditor_code           RZ2782
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1057
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.203
_cell_angle_beta                 74.404
_cell_angle_gamma                68.644
_cell_length_a                   7.5889
_cell_length_b                   10.3670
_cell_length_c                   11.4241
_exptl_crystal_F_000             600.00
_reflns_d_resolution_high        0.8255
_cod_data_source_file            rz2782Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  _100314L'1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            325.66
_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 0 894.03 940.85 81.78 o
3 0 0 45498.45 52242.96 4092.13 o
4 0 0 21924.32 24287.09 516.36 o
5 0 0 895.78 831.17 82.75 o
6 0 0 3095.42 3095.30 244.05 o
7 0 0 7514.44 8405.30 677.14 o
8 0 0 21.21 2.10 217.86 o
-8 1 0 717.12 877.67 470.94 o
-7 1 0 333.52 345.88 66.70 o
-6 1 0 490.65 447.57 65.19 o
-5 1 0 1499.99 1394.86 108.74 o
-4 1 0 39.42 32.14 46.21 o
-3 1 0 11381.16 11189.11 175.25 o
-2 1 0 17.18 26.11 31.10 o
-1 1 0 2453.40 2224.60 77.79 o
1 1 0 2592.83 2525.38 68.62 o
2 1 0 2551.82 2410.83 94.57 o
3 1 0 8938.45 9982.00 300.97 o
4 1 0 23190.56 25847.45 453.57 o
5 1 0 69.07 66.79 44.93 o
6 1 0 308.80 307.50 68.92 o
7 1 0 6454.77 7232.01 598.93 o
8 1 0 839.23 956.06 157.25 o
-7 2 0 1013.81 1248.32 386.44 o
-6 2 0 1960.88 2094.41 175.36 o
-5 2 0 3841.43 3758.97 245.67 o
-4 2 0 4787.11 4517.55 173.32 o
-3 2 0 4737.00 4843.35 160.61 o
-2 2 0 5088.32 5129.36 218.09 o
-1 2 0 8622.67 8661.54 329.31 o
0 2 0 10126.64 11195.59 217.34 o
1 2 0 1127.66 1080.35 113.47 o
2 2 0 10855.86 11148.55 307.68 o
3 2 0 2070.36 1904.88 127.29 o
4 2 0 631.51 669.32 95.91 o
5 2 0 774.02 801.71 95.02 o
6 2 0 1232.09 1165.51 131.46 o
7 2 0 47.21 46.06 78.93 o
8 2 0 20.12 31.24 57.04 o
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-6 3 0 3343.43 3697.96 728.15 o
-5 3 0 3313.70 3871.91 633.81 o
-4 3 0 58.30 70.85 41.54 o
-3 3 0 10584.19 11599.54 520.82 o
-2 3 0 26628.06 28259.51 612.57 o
-1 3 0 3277.27 3052.71 130.45 o
0 3 0 8872.41 9678.09 574.38 o
1 3 0 48076.84 33466.79 493.75 o
2 3 0 13744.34 13703.96 275.21 o
3 3 0 2114.24 2043.61 151.41 o
4 3 0 19208.30 19682.85 589.38 o
5 3 0 10614.24 10281.54 369.46 o
6 3 0 590.64 561.22 96.80 o
7 3 0 1506.57 1537.75 157.50 o
8 3 0 2771.74 2763.80 217.08 o
-7 4 0 1856.49 2032.87 643.21 o
-6 4 0 62.17 31.42 276.46 o
-5 4 0 1815.01 1769.08 365.11 o
-4 4 0 2996.30 3037.88 148.79 o
-3 4 0 1644.72 1583.39 103.57 o
-2 4 0 16007.57 15672.97 818.45 o
-1 4 0 56.94 76.13 60.89 o
0 4 0 8339.97 8080.79 226.11 o
1 4 0 14673.55 14301.01 853.50 o
2 4 0 5792.71 5321.08 412.11 o
3 4 0 6293.99 5828.99 248.45 o
4 4 0 1351.61 1164.42 131.98 o
5 4 0 15171.02 14788.63 573.74 o
6 4 0 182.49 162.88 73.34 o
7 4 0 18.52 47.65 88.01 o
8 4 0 4292.62 4316.85 338.19 o
-6 5 0 1004.27 1163.29 448.46 o
-5 5 0 46.30 43.33 190.79 o
-4 5 0 4747.42 4880.30 231.14 o
-3 5 0 12776.68 12457.57 535.09 o
-2 5 0 111.20 105.18 50.78 o
-1 5 0 3230.54 3084.92 175.23 o
0 5 0 37473.90 46263.77 808.78 o
1 5 0 5199.58 5165.34 294.27 o
2 5 0 4092.01 3869.42 219.36 o
3 5 0 9698.71 8862.27 467.97 o
4 5 0 10729.90 10654.76 556.18 o
5 5 0 2158.17 1839.25 174.10 o
6 5 0 96.48 136.55 89.84 o
7 5 0 4846.57 4818.59 556.78 o
8 5 0 14.32 36.00 109.27 o
-5 6 0 250.20 291.24 278.12 o
-4 6 0 1801.29 1821.23 166.48 o
-3 6 0 3752.04 3356.97 213.80 o
-2 6 0 2220.43 2227.21 296.93 o
-1 6 0 1781.10 1804.82 179.24 o
0 6 0 11664.63 11599.18 1053.92 o
1 6 0 8231.70 7983.13 299.37 o
2 6 0 2401.34 2280.58 244.93 o
3 6 0 9253.72 9227.00 418.44 o
4 6 0 12274.31 11880.76 604.97 o
5 6 0 2431.88 2162.24 207.23 o
6 6 0 1002.91 956.32 207.44 o
7 6 0 4070.98 3934.43 499.68 o
8 6 0 871.83 884.29 206.94 o
-5 7 0 197.97 167.65 170.47 o
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-3 7 0 535.37 494.13 79.06 o
-2 7 0 365.69 357.11 82.44 o
-1 7 0 438.55 428.92 113.38 o
0 7 0 2.81 22.38 112.27 o
1 7 0 1611.82 1678.13 205.24 o
2 7 0 970.84 916.24 156.06 o
3 7 0 1706.88 1441.52 177.54 o
4 7 0 10.12 34.50 55.75 o
5 7 0 205.38 182.97 147.85 o
6 7 0 1506.27 1359.52 265.65 o
7 7 0 540.09 554.25 193.40 o
8 7 0 235.82 239.10 144.45 o
-4 8 0 24.90 8.49 177.88 o
-3 8 0 2052.74 1920.76 301.22 o
-2 8 0 10386.59 10048.61 663.49 o
-1 8 0 389.03 371.31 108.91 o
0 8 0 353.14 443.92 121.27 o
1 8 0 13081.43 13299.31 1125.60 o
2 8 0 3433.70 2942.04 377.19 o
3 8 0 206.20 196.90 137.44 o
4 8 0 7186.52 7029.75 874.12 o
5 8 0 6193.64 6720.67 596.07 o
6 8 0 349.70 326.69 224.05 o
7 8 0 172.99 123.76 147.84 o
8 8 0 2052.41 2089.68 457.63 o
-3 9 0 46.03 55.47 186.50 o
-2 9 0 3207.98 2972.22 320.92 o
-1 9 0 751.27 704.59 203.88 o
0 9 0 48.00 73.88 65.80 o
1 9 0 3926.77 3689.61 387.07 o
2 9 0 6358.62 7605.77 831.87 o
3 9 0 80.72 38.15 187.09 o
4 9 0 941.70 1060.38 317.46 o
5 9 0 6185.81 6146.03 751.22 o
6 9 0 458.36 442.78 208.33 o
7 9 0 44.03 52.40 126.14 o
-2 10 0 2.69 70.47 150.16 o
-1 10 0 48.39 23.47 54.77 o
0 10 0 1374.42 1344.58 375.87 o
1 10 0 1.69 81.80 302.15 o
2 10 0 771.75 845.80 316.56 o
3 10 0 203.45 176.68 240.21 o
4 10 0 245.69 381.09 247.19 o
5 10 0 1490.80 1244.61 321.18 o
6 10 0 274.10 312.53 200.62 o
0 11 0 1080.51 1395.70 463.50 o
1 11 0 528.96 673.66 383.97 o
2 11 0 1383.68 1428.15 514.17 o
3 11 0 1311.31 1437.62 465.74 o
4 11 0 712.77 921.03 416.86 o
5 11 0 633.30 642.40 263.54 o
-5 -11 1 205.45 240.44 237.93 o
-4 -11 1 24.94 95.91 240.31 o
-3 -11 1 2744.12 3115.72 796.10 o
-2 -11 1 1512.31 1905.14 594.83 o
-1 -11 1 71.43 147.60 255.82 o
0 -11 1 534.48 818.38 390.68 o
-6 -10 1 1893.52 1961.82 560.81 o
-5 -10 1 1605.41 1709.94 512.97 o
-4 -10 1 85.54 138.27 300.86 o
-3 -10 1 2882.97 3320.37 640.32 o
-2 -10 1 4197.96 5629.32 941.28 o
-1 -10 1 329.36 413.44 302.50 o
0 -10 1 771.89 883.02 347.98 o
1 -10 1 3912.08 3810.62 917.59 o
2 -10 1 606.68 610.73 337.56 o
-7 -9 1 8.13 50.01 110.58 o
-6 -9 1 9.62 30.94 147.15 o
-5 -9 1 142.62 149.72 192.55 o
-4 -9 1 3.23 71.43 209.19 o
-3 -9 1 25.97 0.00 213.89 o
-2 -9 1 2.05 46.42 202.62 o
-1 -9 1 6.84 45.83 247.82 o
0 -9 1 337.35 349.17 134.63 o
1 -9 1 557.42 527.12 128.08 o
2 -9 1 185.61 137.12 75.54 o
3 -9 1 149.94 109.69 108.66 o
-7 -8 1 68.47 97.33 136.72 o
-6 -8 1 706.91 777.27 298.43 o
-5 -8 1 8200.72 9148.64 1165.71 o
-4 -8 1 1379.05 1196.49 323.82 o
-3 -8 1 43.91 28.22 239.00 o
-2 -8 1 6361.06 5961.79 589.55 o
-1 -8 1 5982.13 5907.02 468.26 o
0 -8 1 65.38 106.66 104.30 o
1 -8 1 2234.78 2309.89 239.91 o
2 -8 1 5868.87 5255.91 563.82 o
3 -8 1 278.23 244.29 74.32 o
4 -8 1 40.46 26.62 199.44 o
-8 -7 1 2079.72 2340.80 502.10 o
-7 -7 1 30.33 86.53 166.98 o
-6 -7 1 228.47 247.76 191.95 o
-5 -7 1 7345.35 7780.99 629.81 o
-4 -7 1 7454.41 6762.36 739.04 o
-3 -7 1 301.53 238.77 110.50 o
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-1 -7 1 20174.03 21621.55 1451.01 o
0 -7 1 756.58 662.47 178.33 o
1 -7 1 74.20 85.87 69.95 o
2 -7 1 6974.10 6236.89 429.52 o
3 -7 1 1920.90 1636.85 193.54 o
4 -7 1 28.54 32.46 216.64 o
5 -7 1 1700.26 1778.29 593.01 o
-8 -6 1 175.76 151.80 110.76 o
-7 -6 1 387.09 397.56 175.39 o
-6 -6 1 4025.49 4491.78 431.06 o
-5 -6 1 186.79 130.84 98.50 o
-4 -6 1 2289.21 1925.89 186.60 o
-3 -6 1 3454.99 2990.58 316.20 o
-2 -6 1 3352.53 3014.73 268.59 o
-1 -6 1 6055.35 5817.61 360.55 o
0 -6 1 173.49 154.18 79.59 o
1 -6 1 3669.81 4152.47 340.11 o
2 -6 1 4419.14 3972.99 388.00 o
3 -6 1 3205.12 3184.35 299.39 o
4 -6 1 388.72 340.40 96.56 o
5 -6 1 145.54 90.30 209.11 o
-8 -5 1 1098.70 1288.51 296.98 o
-7 -5 1 3003.57 3100.42 418.04 o
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-1 -5 1 6961.37 6934.34 587.50 o
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1 -5 1 8494.87 9136.30 860.81 o
2 -5 1 4073.41 3478.61 341.00 o
3 -5 1 895.77 1026.78 118.47 o
4 -5 1 2003.64 2070.53 146.62 o
5 -5 1 1224.49 1276.23 118.00 o
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-3 -4 1 16416.67 16217.99 820.56 o
-2 -4 1 148.82 143.26 72.30 o
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0 -4 1 23699.34 24365.08 612.03 o
1 -4 1 5333.32 5608.38 528.10 o
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3 -4 1 9127.43 9920.21 755.66 o
4 -4 1 5840.38 6202.80 407.46 o
5 -4 1 561.92 540.63 53.82 o
6 -4 1 1447.83 1655.36 433.03 o
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-5 -3 1 13057.89 12946.73 536.47 o
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-2 -3 1 15561.07 16811.54 543.96 o
-1 -3 1 17163.89 19231.84 482.71 o
0 -3 1 11479.04 13951.17 1573.20 o
1 -3 1 66.32 104.64 74.17 o
2 -3 1 19625.66 19593.43 917.85 o
3 -3 1 1911.10 1987.38 160.52 o
4 -3 1 9240.72 9443.66 426.98 o
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-6 -2 1 56.15 75.83 62.43 o
-5 -2 1 19717.70 21315.55 749.91 o
-4 -2 1 23820.68 25950.39 1011.45 o
-3 -2 1 215.57 233.75 62.74 o
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-1 -2 1 106056.52 63699.87 15627.17 o
0 -2 1 976.86 1073.61 238.19 o
1 -2 1 128.89 98.99 96.42 o
2 -2 1 40362.50 36335.64 5731.29 o
3 -2 1 11516.10 10264.67 446.66 o
4 -2 1 138.30 142.15 54.87 o
5 -2 1 6608.35 6335.98 314.29 o
6 -2 1 7622.39 7341.02 450.69 o
7 -2 1 44.82 85.21 296.15 o
-8 -1 1 292.18 301.20 124.23 o
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-4 -1 1 2890.96 2936.75 136.81 o
-3 -1 1 1866.58 1708.50 139.61 o
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-1 -1 1 12641.34 12520.50 224.36 o
0 -1 1 12167.32 14938.81 909.20 o
1 -1 1 1853.54 1438.26 218.76 o
2 -1 1 7580.99 6869.62 159.77 o
3 -1 1 19251.04 19550.94 529.16 o
4 -1 1 1496.59 1464.59 131.60 o
5 -1 1 2232.31 2165.74 141.72 o
6 -1 1 6682.12 6607.97 482.53 o
7 -1 1 1115.36 1159.17 142.61 o
8 -1 1 178.78 172.06 251.57 o
-8 0 1 444.74 397.79 271.58 o
-7 0 1 3175.34 3413.84 291.48 o
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-4 0 1 5401.68 5509.24 168.63 o
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-1 0 1 11021.71 11754.56 475.72 o
1 0 1 202.49 209.16 34.88 o
2 0 1 1555.44 1510.30 121.74 o
3 0 1 1784.65 1759.23 140.36 o
4 0 1 0.82 12.48 33.09 o
5 0 1 218.29 196.67 75.95 o
6 0 1 85.71 100.64 71.22 o
7 0 1 1.46 13.50 43.51 o
8 0 1 161.17 178.81 97.04 o
-8 1 1 130.04 109.92 208.27 o
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-6 1 1 3338.08 3426.70 272.48 o
-5 1 1 341.32 321.71 55.52 o
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-3 1 1 39669.91 39160.23 3225.44 o
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1 1 1 14510.30 16416.92 547.91 o
2 1 1 151.81 204.90 63.20 o
3 1 1 41074.16 38402.37 3971.47 o
4 1 1 17375.80 18169.36 363.23 o
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6 1 1 1917.79 1911.39 169.15 o
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-6 2 1 1418.68 1671.64 398.25 o
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0 2 1 54222.98 30770.52 1216.60 o
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5 2 1 90.68 83.29 57.54 o
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-3 3 1 1465.02 1387.92 326.62 o
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-1 3 1 20125.96 20281.08 306.93 o
0 3 1 395.92 320.87 59.22 o
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6 3 1 3894.42 3794.85 230.94 o
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5 6 1 2522.99 2196.17 179.89 o
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-4 7 1 575.14 564.20 251.17 o
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0 7 1 6815.53 7300.71 433.41 o
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1 2 12 419.32 490.87 256.65 o
2 2 12 411.96 352.62 234.63 o
3 2 12 5238.96 5547.15 286.68 o
4 2 12 1670.20 1782.60 209.58 o
5 2 12 71.65 116.02 130.14 o
-2 3 12 185.28 220.32 144.15 o
-1 3 12 1007.24 803.49 267.40 o
0 3 12 1580.50 1683.21 344.57 o
1 3 12 28.17 53.75 167.16 o
2 3 12 1481.51 1718.62 425.28 o
3 3 12 563.78 478.04 243.99 o
4 3 12 1823.73 2186.50 207.82 o
5 3 12 508.46 460.26 143.44 o
6 3 12 10.69 55.59 113.74 o
-1 4 12 3206.07 3513.12 782.35 o
0 4 12 405.04 633.89 253.13 o
1 4 12 96.52 84.26 145.78 o
2 4 12 3233.12 3184.05 596.66 o
3 4 12 1706.23 1685.73 411.81 o
4 4 12 25.62 19.51 33.84 o
5 4 12 1227.32 1148.30 216.75 o
6 4 12 2089.40 2089.34 376.72 o
-1 5 12 507.82 651.29 207.00 o
0 5 12 836.05 600.76 227.98 o
1 5 12 408.05 429.84 198.81 o
2 5 12 2691.63 2921.78 533.59 o
3 5 12 2787.38 2548.48 494.06 o
4 5 12 765.73 684.24 241.06 o
5 5 12 522.99 588.82 244.57 o
6 5 12 1819.59 1680.37 496.37 o
-1 6 12 197.51 161.93 102.22 o
0 6 12 558.05 636.35 210.67 o
1 6 12 137.39 166.62 144.44 o
2 6 12 4.92 7.47 118.93 o
3 6 12 1320.85 1141.98 276.16 o
4 6 12 15.98 21.12 169.67 o
5 6 12 456.55 468.20 241.04 o
6 6 12 63.37 47.56 146.71 o
0 7 12 2920.03 2761.41 695.08 o
1 7 12 334.81 377.16 193.75 o
2 7 12 82.27 75.19 144.64 o
3 7 12 3121.62 2988.76 702.44 o
4 7 12 1874.76 1863.13 492.98 o
5 7 12 92.67 55.03 158.50 o
6 7 12 839.98 732.56 294.54 o
1 8 12 746.15 736.01 253.18 o
3 8 12 856.59 948.31 268.40 o
4 8 12 2671.65 2899.15 684.72 o
3 9 12 80.56 97.34 139.46 o
4 9 12 20.77 30.29 181.12 o
1 0 13 178.14 230.06 195.56 o
2 0 13 4570.20 6141.16 1252.20 o
0 1 13 48.96 97.08 256.88 o
1 1 13 623.72 698.89 302.00 o
2 1 13 595.29 764.43 449.74 o
3 1 13 1372.50 1743.86 539.67 o
0 2 13 267.01 254.30 213.01 o
1 2 13 1184.45 1388.55 447.53 o
2 2 13 640.07 753.88 294.49 o
3 2 13 8.75 29.02 214.99 o
4 2 13 564.07 472.35 296.43 o
0 3 13 1228.56 1351.74 409.62 o
1 3 13 854.17 1077.68 400.49 o
2 3 13 684.10 786.71 303.15 o
3 3 13 1737.45 1994.42 561.20 o
4 3 13 865.39 992.96 384.17 o
5 3 13 447.27 503.77 374.07 o
0 4 13 613.18 843.26 311.11 o
1 4 13 9.98 25.18 147.80 o
2 4 13 988.66 903.06 290.21 o
3 4 13 628.15 661.17 274.01 o
4 4 13 910.89 909.34 316.11 o
5 4 13 174.19 152.60 192.68 o
0 5 13 144.06 157.20 177.46 o
1 5 13 23.38 78.10 201.46 o
2 5 13 2405.74 2604.84 658.11 o
3 5 13 1032.48 1008.49 340.31 o
4 5 13 449.33 456.03 236.87 o
5 5 13 548.61 573.78 309.21 o
1 6 13 67.37 88.60 159.58 o
2 6 13 976.47 968.97 265.48 o
3 6 13 2584.46 2446.19 613.30 o
4 6 13 325.97 383.72 263.46 o
5 6 13 666.47 727.35 305.45 o
2 7 13 0.54 76.08 165.30 o
3 7 13 0.06 23.58 126.80 o
4 7 13 3.64 60.28 238.49 o