#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:30:32 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181245 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/23/2232357.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_2232357_Fobs
loop_
_publ_author_name
'Ha, Kwang'
_publ_section_title
;
 (2,3-Di-2-pyridylpyrazine-\k^2^<i>N</i>^2^,<i>N</i>^3^)diiodidopalladium(II)
;
_journal_coeditor_code           IS2795
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1626
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 102.118
_cell_angle_gamma                90.000
_cell_length_a                   8.7936
_cell_length_b                   15.5282
_cell_length_c                   12.3351
_exptl_crystal_F_000             1096.00
_reflns_d_resolution_high        0.7824
_cod_data_source_file            is2795Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' [PdI2(C14H10N4)]'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            517.64
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 33032.57 36939.66 590.82 o
4 0 0 7175.31 8563.84 215.71 o
6 0 0 869.58 766.55 68.89 o
8 0 0 3125.83 3179.85 173.98 o
10 0 0 2.90 1.63 19.81 o
1 1 0 50440.10 51455.99 388.89 o
2 1 0 2239.69 1830.98 59.71 o
3 1 0 37.30 143.68 14.92 o
4 1 0 18853.38 20126.27 280.42 o
5 1 0 807.02 617.28 40.22 o
6 1 0 6354.21 6052.65 146.38 o
7 1 0 328.39 343.68 56.32 o
8 1 0 3299.81 3163.95 99.90 o
9 1 0 1448.90 1681.66 105.59 o
10 1 0 3.58 32.44 16.36 o
0 2 0 31146.25 33210.19 490.49 o
1 2 0 214.24 115.03 7.40 o
2 2 0 23260.83 25926.28 216.12 o
3 2 0 45106.52 44198.61 412.82 o
4 2 0 310.12 195.94 24.14 o
5 2 0 1811.21 1541.83 57.62 o
6 2 0 251.71 207.17 23.37 o
7 2 0 72.67 81.87 20.69 o
8 2 0 394.57 406.10 40.87 o
9 2 0 1557.34 1689.13 78.26 o
10 2 0 18.88 43.44 22.17 o
1 3 0 3.48 66.73 5.64 o
2 3 0 50404.86 50449.65 398.86 o
3 3 0 26531.87 28746.29 339.22 o
4 3 0 19509.38 20962.32 237.84 o
5 3 0 5384.45 5641.03 107.18 o
6 3 0 1326.85 1196.28 50.96 o
7 3 0 2441.98 2473.06 66.86 o
8 3 0 1878.26 1889.37 63.00 o
9 3 0 137.59 182.94 33.04 o
10 3 0 2511.48 3022.97 190.32 o
0 4 0 29873.27 29544.70 284.11 o
1 4 0 42499.72 43509.25 312.17 o
2 4 0 2862.24 2732.94 49.09 o
3 4 0 14064.44 13895.38 177.81 o
4 4 0 1024.35 1074.68 34.63 o
5 4 0 1001.90 919.54 34.81 o
6 4 0 2884.67 2637.43 65.43 o
7 4 0 125.25 163.42 21.43 o
8 4 0 995.84 933.10 46.40 o
9 4 0 1265.31 1358.00 71.27 o
10 4 0 81.73 73.19 34.72 o
1 5 0 9667.57 8583.70 77.35 o
2 5 0 31904.79 31682.98 241.18 o
3 5 0 101.45 42.20 7.59 o
4 5 0 221.83 237.89 20.14 o
5 5 0 3175.24 2730.42 72.96 o
6 5 0 6933.56 6974.94 133.65 o
7 5 0 589.02 599.27 41.28 o
8 5 0 96.76 97.33 23.36 o
9 5 0 179.99 266.07 45.21 o
0 6 0 2958.21 2059.62 47.05 o
1 6 0 10545.51 10789.09 107.28 o
2 6 0 69719.81 75315.38 571.53 o
3 6 0 217.54 254.46 14.99 o
4 6 0 16394.39 15876.38 170.07 o
5 6 0 3836.41 3777.47 90.40 o
6 6 0 154.59 188.34 25.93 o
7 6 0 195.61 207.62 28.59 o
8 6 0 1794.36 1904.24 76.85 o
9 6 0 785.25 797.39 70.03 o
10 6 0 52.73 25.66 46.89 o
1 7 0 38904.10 39572.32 276.49 o
2 7 0 4768.77 4450.72 55.23 o
3 7 0 983.12 1046.23 29.83 o
4 7 0 3703.67 3604.71 85.97 o
5 7 0 6059.77 5853.48 119.85 o
6 7 0 3.19 23.23 13.50 o
7 7 0 6011.56 6284.49 140.09 o
8 7 0 1971.58 1854.08 77.92 o
9 7 0 99.89 58.95 30.42 o
10 7 0 25.47 33.92 23.11 o
0 8 0 33074.04 34227.40 355.66 o
1 8 0 18875.24 18473.90 153.95 o
2 8 0 11195.20 11206.57 128.40 o
3 8 0 13.81 54.99 25.67 o
4 8 0 217.77 185.50 22.38 o
5 8 0 103.12 118.13 19.94 o
6 8 0 642.70 708.06 45.39 o
7 8 0 1305.81 1326.68 64.36 o
8 8 0 8.45 32.14 17.61 o
9 8 0 39.02 57.63 46.89 o
10 8 0 0.23 -20.09 20.09 o
1 9 0 16926.30 17607.62 153.43 o
2 9 0 18481.47 17782.76 183.69 o
3 9 0 20.24 56.39 14.30 o
4 9 0 119.31 126.55 21.29 o
5 9 0 3290.99 3283.30 94.18 o
6 9 0 10.12 6.35 12.77 o
7 9 0 26.17 58.19 36.83 o
8 9 0 418.45 468.89 43.50 o
9 9 0 129.30 98.41 117.79 o
0 10 0 12676.84 13465.94 186.34 o
1 10 0 4449.52 4190.55 61.38 o
2 10 0 329.37 275.08 24.03 o
3 10 0 10167.31 10050.69 175.19 o
4 10 0 9551.93 9972.92 177.66 o
5 10 0 341.54 299.85 32.39 o
6 10 0 4.26 -7.04 13.63 o
7 10 0 450.20 565.75 56.08 o
8 10 0 45.06 13.66 17.24 o
1 11 0 270.77 216.33 22.94 o
2 11 0 3113.67 3056.38 81.48 o
3 11 0 2441.27 2308.26 97.79 o
4 11 0 8275.18 7931.58 162.03 o
5 11 0 1515.19 1544.86 70.62 o
6 11 0 358.20 460.15 40.83 o
7 11 0 22.56 25.83 17.50 o
8 11 0 2408.80 2438.99 98.88 o
9 11 0 72.16 29.86 56.06 o
0 12 0 11414.25 11424.10 254.86 o
1 12 0 296.13 275.97 30.06 o
2 12 0 362.35 358.77 31.99 o
3 12 0 9842.92 9536.04 286.58 o
4 12 0 3009.09 2759.17 111.86 o
5 12 0 5.71 17.69 16.65 o
6 12 0 0.48 9.02 14.39 o
7 12 0 1775.45 1933.43 86.54 o
8 12 0 9.77 29.74 21.92 o
1 13 0 8234.33 8279.16 155.55 o
2 13 0 358.05 378.19 35.86 o
3 13 0 1638.27 1515.69 74.85 o
4 13 0 845.39 698.01 67.77 o
5 13 0 47.04 30.15 15.83 o
6 13 0 1695.40 1505.64 76.97 o
7 13 0 292.47 225.77 37.65 o
8 13 0 954.36 1134.46 89.29 o
0 14 0 13636.97 14669.92 318.47 o
1 14 0 656.83 577.00 44.37 o
2 14 0 52.69 48.92 22.17 o
3 14 0 1249.58 1275.84 71.74 o
4 14 0 486.55 481.38 45.44 o
5 14 0 1581.18 1559.75 78.81 o
6 14 0 493.60 507.80 49.38 o
7 14 0 1221.60 1368.50 78.64 o
1 15 0 2175.07 2065.14 80.68 o
2 15 0 832.27 1007.50 58.06 o
3 15 0 2915.27 2695.91 107.96 o
4 15 0 94.02 102.38 27.40 o
5 15 0 249.90 210.34 38.17 o
6 15 0 2523.68 2808.29 113.69 o
7 15 0 230.61 271.18 53.45 o
0 16 0 1810.81 1727.17 107.17 o
1 16 0 183.73 209.52 33.52 o
2 16 0 2560.63 2694.85 117.10 o
3 16 0 2485.30 2532.32 109.20 o
4 16 0 498.62 481.26 50.90 o
5 16 0 470.50 585.42 55.98 o
6 16 0 177.59 66.24 71.78 o
1 17 0 379.97 331.51 40.60 o
2 17 0 1611.18 1720.68 80.07 o
3 17 0 1323.76 1190.29 119.20 o
4 17 0 32.79 12.79 22.29 o
5 17 0 188.18 318.54 90.51 o
0 18 0 163.92 63.07 37.84 o
1 18 0 1231.76 1205.47 68.40 o
2 18 0 406.34 427.41 52.93 o
3 18 0 12.11 -14.83 20.09 o
4 18 0 554.19 597.22 86.61 o
1 19 0 120.17 145.28 29.54 o
2 19 0 440.70 351.18 67.66 o
3 19 0 308.47 393.90 70.72 o
-11 0 1 5.39 12.77 21.06 o
-9 0 1 305.80 262.19 44.99 o
-7 0 1 20618.80 21493.18 487.99 o
-5 0 1 3096.32 2759.24 117.91 o
-3 0 1 11752.49 13168.94 260.46 o
-1 0 1 42022.66 40641.17 445.99 o
1 0 1 919.16 1517.59 34.31 o
3 0 1 28.03 23.35 7.55 o
5 0 1 10108.11 11083.99 285.35 o
7 0 1 15856.30 16489.09 424.38 o
9 0 1 1528.69 1461.96 125.45 o
-11 1 1 37.17 23.04 16.72 o
-10 1 1 143.37 206.77 29.45 o
-9 1 1 100.08 92.07 26.49 o
-8 1 1 3228.80 3303.10 99.86 o
-7 1 1 2717.71 2698.98 82.29 o
-6 1 1 7272.72 7003.36 127.24 o
-5 1 1 10559.95 10622.07 378.56 o
-4 1 1 16842.25 17115.94 196.92 o
-3 1 1 10532.62 10265.20 123.96 o
-2 1 1 67421.97 69683.78 601.62 o
-1 1 1 1880.15 2374.15 33.47 o
0 1 1 20177.13 21210.07 428.53 o
2 1 1 2867.63 2547.11 34.60 o
3 1 1 998.73 1028.90 33.86 o
4 1 1 9765.58 11607.10 219.61 o
5 1 1 20211.05 20683.92 310.20 o
6 1 1 4511.26 4178.75 122.01 o
7 1 1 3302.93 3391.06 120.76 o
8 1 1 10085.78 10697.83 244.33 o
9 1 1 184.95 171.38 35.71 o
10 1 1 263.79 277.06 39.03 o
-11 2 1 136.19 117.83 26.00 o
-10 2 1 44.06 43.17 18.30 o
-9 2 1 0.19 28.19 18.05 o
-8 2 1 1260.06 1204.08 61.56 o
-7 2 1 5356.02 5628.79 152.19 o
-6 2 1 64.50 52.17 14.81 o
-5 2 1 12053.63 12102.00 166.97 o
-4 2 1 69958.25 70081.40 634.44 o
-3 2 1 3877.46 3703.33 64.23 o
-2 2 1 50.76 52.11 15.34 o
-1 2 1 3301.29 2863.28 41.26 o
0 2 1 22693.40 28724.32 230.76 o
1 2 1 8955.73 10172.80 85.60 o
2 2 1 66817.37 71566.55 701.34 o
3 2 1 3318.53 2827.21 49.87 o
4 2 1 43407.90 42876.66 364.85 o
5 2 1 10181.32 10334.88 149.67 o
6 2 1 19.96 25.55 10.35 o
7 2 1 7119.00 7468.85 139.40 o
8 2 1 2269.96 2377.04 87.86 o
9 2 1 83.71 71.30 23.96 o
10 2 1 1032.23 1227.89 124.20 o
-10 3 1 2062.61 2136.76 114.76 o
-9 3 1 324.66 322.98 37.88 o
-8 3 1 2690.32 2590.18 89.10 o
-7 3 1 963.05 883.86 47.08 o
-6 3 1 14614.82 15361.42 211.44 o
-5 3 1 18321.78 18684.19 227.82 o
-4 3 1 5284.05 5688.85 115.35 o
-3 3 1 73371.98 74201.14 818.29 o
-2 3 1 903.02 1008.40 26.61 o
-1 3 1 241.59 529.97 56.57 o
0 3 1 1489.17 1734.86 42.50 o
2 3 1 16.14 50.12 6.73 o
3 3 1 6092.16 6472.30 82.18 o
4 3 1 19.29 59.69 17.86 o
5 3 1 14011.37 13733.41 161.08 o
6 3 1 6894.93 7093.71 112.74 o
7 3 1 969.41 1009.35 43.85 o
8 3 1 587.34 554.78 62.38 o
9 3 1 2906.92 2774.19 102.31 o
10 3 1 606.67 289.59 214.20 o
-10 4 1 17.29 61.53 28.26 o
-9 4 1 197.47 297.48 44.44 o
-8 4 1 1350.65 1380.94 63.05 o
-7 4 1 1683.36 1593.09 78.40 o
-6 4 1 4594.13 4756.96 167.19 o
-5 4 1 14.02 37.61 13.59 o
-4 4 1 19681.67 19057.49 273.29 o
-3 4 1 4954.46 5207.28 71.85 o
-2 4 1 79054.20 82437.68 1221.14 o
-1 4 1 37060.50 38235.91 281.43 o
0 4 1 25957.98 26555.83 204.62 o
1 4 1 46739.50 50978.49 362.73 o
2 4 1 15078.84 17461.47 304.02 o
3 4 1 2318.35 2614.94 46.63 o
4 4 1 3281.68 2852.36 57.09 o
5 4 1 625.16 529.10 27.64 o
6 4 1 1207.02 962.11 40.10 o
7 4 1 1061.81 1084.12 45.49 o
8 4 1 2020.81 2053.42 82.47 o
9 4 1 5.56 -4.78 18.28 o
-10 5 1 365.79 426.37 61.47 o
-9 5 1 1409.14 1561.65 72.45 o
-8 5 1 50.25 51.27 16.94 o
-7 5 1 1325.40 1415.03 102.20 o
-6 5 1 10798.58 10450.37 235.48 o
-5 5 1 1365.30 1339.18 49.13 o
-4 5 1 94.93 63.48 9.92 o
-3 5 1 64116.30 66937.27 529.34 o
-2 5 1 11066.12 10093.41 110.11 o
-1 5 1 3821.29 4142.77 71.68 o
0 5 1 13245.89 13480.33 137.06 o
1 5 1 393.68 241.72 13.22 o
2 5 1 2771.68 2072.45 52.07 o
3 5 1 23071.01 24475.90 234.07 o
4 5 1 767.11 654.54 28.98 o
5 5 1 85.56 115.01 15.95 o
6 5 1 7621.25 7534.27 122.03 o
7 5 1 953.33 947.97 44.41 o
8 5 1 1343.20 1290.03 66.69 o
9 5 1 5194.69 5592.06 150.05 o
10 5 1 116.01 71.23 100.82 o
-10 6 1 107.50 22.00 56.82 o
-9 6 1 9.76 37.17 17.74 o
-8 6 1 74.59 103.42 22.73 o
-7 6 1 3684.25 3759.01 115.28 o
-6 6 1 4797.47 4983.34 94.13 o
-5 6 1 27342.28 27338.21 267.36 o
-4 6 1 237.82 248.31 17.07 o
-3 6 1 11090.94 9957.84 116.60 o
-2 6 1 27523.58 28545.64 254.87 o
-1 6 1 4167.17 3429.10 52.88 o
0 6 1 90.64 70.42 8.27 o
1 6 1 4471.10 4794.09 75.34 o
2 6 1 7294.99 7445.40 91.01 o
3 6 1 5104.64 4093.65 57.49 o
4 6 1 242.98 301.38 25.33 o
5 6 1 7510.25 7707.50 138.42 o
6 6 1 719.68 830.24 46.78 o
7 6 1 9725.87 10113.56 181.30 o
8 6 1 1120.77 1169.05 79.77 o
9 6 1 0.03 -17.93 17.93 o
10 6 1 39.21 41.54 30.04 o
-10 7 1 256.27 65.61 109.87 o
-9 7 1 442.01 399.88 40.39 o
-8 7 1 120.66 102.98 23.53 o
-7 7 1 14.44 51.66 19.55 o
-6 7 1 21277.88 22231.17 242.30 o
-5 7 1 1021.26 964.57 36.76 o
-3 7 1 86.58 79.78 10.34 o
-2 7 1 4314.02 3871.82 71.94 o
-1 7 1 2774.90 2739.30 49.22 o
0 7 1 9645.52 9631.79 108.86 o
1 7 1 11486.58 11672.32 124.71 o
2 7 1 756.79 1160.50 43.57 o
3 7 1 2744.62 2840.74 99.80 o
4 7 1 1077.42 835.16 27.04 o
5 7 1 339.10 380.63 31.67 o
6 7 1 21553.07 23064.41 302.21 o
7 7 1 235.77 240.88 31.67 o
8 7 1 765.15 757.03 65.79 o
9 7 1 35.98 7.92 21.30 o
10 7 1 124.06 32.36 42.49 o
-10 8 1 162.78 53.13 91.89 o
-9 8 1 800.84 692.61 52.47 o
-8 8 1 1157.43 1352.17 84.40 o
-7 8 1 1684.78 1533.44 71.66 o
-6 8 1 33.65 41.39 15.88 o
-5 8 1 14645.28 15383.89 222.00 o
-4 8 1 244.98 153.76 14.86 o
-3 8 1 2062.57 1940.09 55.92 o
-2 8 1 17530.71 17863.43 185.03 o
-1 8 1 7220.39 7109.47 91.93 o
0 8 1 39957.04 40739.72 327.22 o
1 8 1 4339.59 4593.50 106.02 o
2 8 1 3382.75 3543.36 64.83 o
3 8 1 2.85 38.66 26.47 o
4 8 1 187.84 243.28 21.22 o
5 8 1 10404.11 10833.08 181.34 o
6 8 1 1840.88 1763.18 71.14 o
7 8 1 4189.87 4217.39 116.84 o
8 8 1 515.36 552.85 46.07 o
-9 9 1 1468.35 1630.66 133.75 o
-8 9 1 4242.97 4085.94 143.52 o
-7 9 1 75.38 75.49 21.34 o
-6 9 1 14.05 9.79 11.55 o
-5 9 1 1537.64 1582.25 63.94 o
-4 9 1 4678.29 4442.03 159.44 o
-3 9 1 13174.80 12672.91 192.00 o
-2 9 1 2320.69 2249.94 51.05 o
-1 9 1 850.55 1107.10 34.48 o
0 9 1 1489.13 1362.47 39.95 o
1 9 1 8745.36 7888.04 106.63 o
2 9 1 30.00 50.87 10.46 o
3 9 1 4698.31 4554.45 90.15 o
4 9 1 9236.38 9302.10 142.23 o
5 9 1 844.67 709.46 45.38 o
6 9 1 276.74 297.90 34.69 o
7 9 1 56.81 76.86 24.22 o
8 9 1 3114.68 3087.27 106.87 o
-9 10 1 324.73 296.92 66.62 o
-8 10 1 1525.04 1717.69 79.32 o
-7 10 1 1151.94 1189.39 62.71 o
-6 10 1 1015.37 974.89 54.42 o
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-4 10 1 12875.75 12717.29 203.98 o
-3 10 1 9123.79 8963.04 162.03 o
-2 10 1 4690.13 4518.59 73.60 o
-1 10 1 9325.95 9659.77 121.21 o
0 10 1 72.03 172.55 17.59 o
1 10 1 2026.81 1933.58 50.76 o
2 10 1 54.10 37.30 15.28 o
3 10 1 15118.49 15347.71 195.22 o
4 10 1 3658.52 3659.86 102.39 o
5 10 1 63.04 45.70 17.70 o
6 10 1 1435.99 1424.70 68.19 o
7 10 1 933.98 988.38 59.35 o
8 10 1 2675.43 2950.65 109.06 o
9 10 1 290.72 99.33 85.48 o
-9 11 1 66.98 27.78 28.66 o
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-4 11 1 0.13 9.73 13.14 o
-3 11 1 8516.72 8900.69 170.20 o
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-1 11 1 3202.06 3358.39 79.40 o
0 11 1 70.74 69.80 12.21 o
1 11 1 889.60 964.47 37.94 o
2 11 1 3716.34 3669.39 76.77 o
3 11 1 61.01 51.73 16.01 o
4 11 1 1771.53 1793.95 75.58 o
5 11 1 8232.73 8409.31 173.60 o
6 11 1 402.61 400.65 39.68 o
7 11 1 2864.87 2649.45 100.22 o
8 11 1 162.38 196.65 32.59 o
-8 12 1 128.87 66.60 90.38 o
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-1 12 1 7772.89 7548.33 176.03 o
0 12 1 9063.43 9422.94 131.49 o
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2 12 1 139.14 128.85 17.17 o
3 12 1 977.47 899.53 46.99 o
4 12 1 4662.29 4790.49 129.30 o
5 12 1 68.79 50.10 28.31 o
6 12 1 397.24 394.80 44.05 o
7 12 1 401.94 429.75 45.40 o
8 12 1 172.90 153.93 33.87 o
-8 13 1 941.46 708.93 127.97 o
-7 13 1 551.56 637.87 67.79 o
-6 13 1 752.93 789.56 55.52 o
-5 13 1 312.76 295.73 36.36 o
-4 13 1 2314.16 2130.19 146.78 o
-3 13 1 4263.67 4018.43 120.43 o
-2 13 1 2876.75 2630.08 111.57 o
-1 13 1 2631.15 2763.20 87.32 o
0 13 1 2357.81 2267.04 78.90 o
1 13 1 3308.68 3360.46 78.95 o
2 13 1 3433.16 3123.34 77.93 o
3 13 1 1509.68 1479.62 74.30 o
4 13 1 1132.47 953.88 60.04 o
5 13 1 135.75 100.96 25.04 o
6 13 1 190.11 221.73 35.88 o
7 13 1 6.77 49.35 22.95 o
8 13 1 1504.81 1756.03 105.34 o
-7 14 1 2591.27 3016.74 147.27 o
-6 14 1 752.12 790.46 58.48 o
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-4 14 1 125.01 122.05 28.15 o
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-2 14 1 2322.99 2282.98 82.42 o
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0 14 1 1164.13 1248.66 62.07 o
1 14 1 29.99 40.12 18.89 o
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3 14 1 446.65 413.38 44.32 o
4 14 1 241.53 265.29 71.18 o
5 14 1 440.47 355.40 40.82 o
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