#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/40/2214059.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_2214059_Fobs
loop_
_publ_author_name
'Song, Ah-Ran'
'Hwang, In-Chul'
'Ha, Kwang'
_publ_section_title
;
 [(1,2,5,6-\h)-1,3,5,7-Cyclooctatetraene]iodido(methyl)platinum(II)
;
_journal_coeditor_code           BI2192
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1879
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 120.901
_cell_angle_gamma                90.000
_cell_length_a                   8.4470
_cell_length_b                   10.1810
_cell_length_c                   13.5040
_exptl_crystal_F_000             784.00
_reflns_d_resolution_high        0.7999
_[local]_cod_data_source_file    bi2192Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' cotPtMeI'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            382.43
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 86291.98 68839.26 839.69 o
2 0 0 8351.96 7325.08 235.93 o
3 0 0 3082.31 3114.96 134.55 o
4 0 0 2446.28 2405.13 117.81 o
5 0 0 20319.81 18809.82 334.51 o
6 0 0 32363.86 39893.65 566.41 o
7 0 0 8101.91 8719.30 261.04 o
8 0 0 2026.30 2300.04 162.14 o
9 0 0 947.75 1102.74 131.45 o
1 1 0 38658.72 36608.32 1377.64 o
2 1 0 24912.51 22127.76 801.04 o
3 1 0 16840.31 16212.51 213.22 o
4 1 0 37306.98 36971.43 383.64 o
5 1 0 22441.64 21134.61 249.51 o
6 1 0 129.06 152.82 31.31 o
7 1 0 2929.19 3083.66 135.17 o
8 1 0 1777.16 1928.92 159.04 o
9 1 0 1539.48 1988.07 111.21 o
0 2 0 60054.54 61535.57 308.06 o
1 2 0 22310.91 23566.77 482.35 o
2 2 0 2906.69 2784.86 123.72 o
3 2 0 405.67 410.31 22.55 o
4 2 0 1870.41 1530.78 53.38 o
5 2 0 9049.58 9523.51 344.17 o
6 2 0 7986.59 8499.47 205.47 o
7 2 0 4206.68 4688.56 142.23 o
8 2 0 1925.92 2122.77 145.71 o
1 3 0 4342.27 4150.14 140.03 o
2 3 0 10702.60 10675.42 162.49 o
3 3 0 30371.28 29566.43 200.61 o
4 3 0 5322.06 4824.83 72.03 o
5 3 0 212.73 223.98 24.09 o
6 3 0 396.24 439.07 44.27 o
7 3 0 3.32 19.17 30.08 o
8 3 0 823.58 1078.78 135.01 o
0 4 0 9899.96 10214.90 117.81 o
1 4 0 1104.15 1239.78 36.12 o
2 4 0 14620.37 14493.74 126.31 o
3 4 0 437.95 450.66 25.81 o
4 4 0 6868.44 6035.00 228.97 o
5 4 0 122.19 128.34 23.73 o
6 4 0 1355.64 1380.59 68.61 o
7 4 0 361.53 540.24 70.69 o
8 4 0 704.81 901.98 81.83 o
1 5 0 20672.11 22037.13 155.01 o
2 5 0 258.67 243.71 23.92 o
3 5 0 1687.80 1676.51 55.40 o
4 5 0 4632.39 4245.89 142.01 o
5 5 0 5558.85 5230.96 193.94 o
6 5 0 64.29 136.79 42.61 o
7 5 0 570.88 708.44 69.32 o
8 5 0 2.69 26.05 40.92 o
0 6 0 24464.27 26531.87 354.97 o
1 6 0 8986.04 9137.78 94.94 o
2 6 0 509.21 555.99 36.12 o
3 6 0 335.64 358.91 43.60 o
4 6 0 9.30 24.01 24.21 o
5 6 0 2714.82 2543.55 145.96 o
6 6 0 4128.69 4054.22 237.01 o
7 6 0 1485.12 1668.82 96.00 o
1 7 0 977.64 989.11 40.20 o
2 7 0 10153.25 9873.35 151.81 o
3 7 0 18880.56 19290.50 313.74 o
4 7 0 9339.10 9503.50 262.12 o
5 7 0 1462.84 1396.91 64.74 o
6 7 0 253.08 340.52 59.57 o
7 7 0 5.35 23.29 45.42 o
0 8 0 4517.37 4518.55 114.86 o
1 8 0 12702.91 13133.02 147.67 o
2 8 0 13515.61 13951.71 226.33 o
3 8 0 4.18 38.96 27.75 o
4 8 0 4978.34 5166.96 143.16 o
5 8 0 2745.32 2785.32 110.16 o
6 8 0 2202.68 2184.09 163.69 o
7 8 0 3409.20 3677.14 212.67 o
1 9 0 155.71 181.21 34.79 o
2 9 0 7730.55 7697.22 139.67 o
3 9 0 19706.21 19854.11 324.04 o
4 9 0 5642.30 5827.13 161.46 o
5 9 0 509.61 424.11 79.06 o
6 9 0 425.85 400.86 95.18 o
0 10 0 3322.97 3389.48 115.50 o
1 10 0 6149.65 6289.63 132.71 o
2 10 0 4773.69 4600.02 114.85 o
3 10 0 6.01 14.98 32.91 o
4 10 0 1593.19 1715.49 100.58 o
5 10 0 1043.24 1018.58 129.12 o
1 11 0 600.73 599.59 62.99 o
2 11 0 1312.12 1342.37 73.80 o
3 11 0 1159.93 1199.84 71.74 o
4 11 0 786.51 766.51 79.60 o
0 12 0 1339.05 1387.87 88.70 o
1 12 0 220.95 246.26 45.12 o
2 12 0 113.90 159.64 41.36 o
3 12 0 7.36 -32.55 56.73 o
-9 1 1 919.61 950.64 83.19 o
-8 1 1 2412.88 2876.16 120.38 o
-7 1 1 212.71 280.25 53.44 o
-6 1 1 338.57 338.28 54.01 o
-5 1 1 460.15 459.56 53.78 o
-4 1 1 197.43 178.94 19.71 o
-3 1 1 12343.55 10832.93 130.09 o
-2 1 1 17262.97 15868.80 98.74 o
-1 1 1 359.67 542.60 16.53 o
0 1 1 86.79 179.15 7.66 o
1 1 1 13245.92 12214.51 463.66 o
2 1 1 1139.11 978.88 36.26 o
3 1 1 15543.39 12985.12 661.05 o
4 1 1 7498.48 6957.27 81.98 o
5 1 1 38.21 79.14 29.91 o
6 1 1 184.04 235.50 34.25 o
7 1 1 985.60 1269.65 89.10 o
8 1 1 0.78 -2.45 49.37 o
-9 2 1 784.15 952.57 84.02 o
-8 2 1 849.59 981.71 83.46 o
-7 2 1 9781.67 10677.07 368.51 o
-6 2 1 4316.60 4422.10 98.95 o
-5 2 1 1736.06 1646.24 50.06 o
-4 2 1 23909.98 21368.18 480.00 o
-3 2 1 24582.89 21230.90 220.30 o
-2 2 1 12579.19 11238.63 196.84 o
-1 2 1 67624.49 72218.30 876.82 o
0 2 1 6902.66 7764.31 222.26 o
1 2 1 3364.03 3395.90 204.94 o
2 2 1 64585.29 58650.73 1620.42 o
3 2 1 27924.12 26481.29 401.42 o
4 2 1 3539.03 3328.71 122.80 o
5 2 1 5126.02 5180.28 227.29 o
6 2 1 317.16 342.00 40.66 o
7 2 1 2329.09 2932.67 122.32 o
8 2 1 4573.96 5533.52 196.09 o
-9 3 1 3972.65 4213.97 323.82 o
-8 3 1 7970.91 9114.05 401.00 o
-7 3 1 1507.44 1758.34 72.72 o
-6 3 1 402.97 430.75 42.37 o
-5 3 1 93.80 175.44 63.26 o
-4 3 1 963.84 1023.78 42.43 o
-3 3 1 57824.06 53786.99 1041.62 o
-2 3 1 100489.05 99182.19 1130.41 o
-1 3 1 11346.84 12540.72 165.26 o
0 3 1 318.29 364.35 16.55 o
1 3 1 8735.39 9228.21 268.21 o
2 3 1 220.21 241.02 20.37 o
3 3 1 50087.57 47789.10 573.65 o
4 3 1 35125.71 33166.42 627.36 o
5 3 1 4624.97 4663.66 150.66 o
6 3 1 3086.58 3571.62 96.37 o
7 3 1 2352.10 2577.46 115.10 o
8 3 1 90.28 115.95 78.43 o
-8 4 1 357.39 349.63 46.73 o
-7 4 1 5927.56 6163.71 141.00 o
-6 4 1 13001.87 13562.34 320.47 o
-5 4 1 16793.63 15999.98 324.77 o
-4 4 1 19925.77 18243.15 517.05 o
-3 4 1 9059.31 8686.08 106.90 o
-2 4 1 1080.31 1180.09 46.88 o
-1 4 1 20464.17 22839.81 491.25 o
0 4 1 32510.03 34779.81 351.22 o
1 4 1 37394.18 39505.85 183.97 o
2 4 1 34900.09 35795.89 742.51 o
3 4 1 12924.46 11911.85 522.13 o
4 4 1 169.20 172.91 19.69 o
5 4 1 1510.34 1396.36 55.43 o
6 4 1 4361.41 4719.43 236.10 o
7 4 1 6499.00 7612.95 171.18 o
8 4 1 4364.38 5409.22 166.71 o
-8 5 1 3291.68 3331.24 125.28 o
-7 5 1 4634.33 4628.57 136.46 o
-6 5 1 2066.63 2236.20 92.72 o
-5 5 1 1795.01 1587.35 113.49 o
-4 5 1 14571.56 13219.90 308.18 o
-3 5 1 16889.75 17264.09 309.38 o
-2 5 1 23232.26 25022.99 188.54 o
-1 5 1 42575.94 44604.56 215.91 o
0 5 1 21231.75 22359.33 201.99 o
1 5 1 308.95 287.24 19.06 o
2 5 1 12723.51 13010.36 135.77 o
3 5 1 12117.94 11511.32 166.75 o
4 5 1 12720.07 12176.38 471.11 o
5 5 1 13544.03 12990.72 760.40 o
6 5 1 4906.24 5278.82 269.25 o
7 5 1 88.75 61.61 42.41 o
-8 6 1 6.67 58.89 41.49 o
-7 6 1 470.91 521.59 67.30 o
-6 6 1 9626.04 10001.16 199.73 o
-5 6 1 17546.83 17522.28 254.15 o
-4 6 1 1944.58 1875.02 54.78 o
-3 6 1 250.21 243.97 28.46 o
-2 6 1 1671.44 1787.69 72.74 o
-1 6 1 65.46 125.77 23.36 o
0 6 1 32301.34 33467.46 213.45 o
1 6 1 40104.07 42098.14 466.22 o
2 6 1 3335.10 3428.31 77.84 o
3 6 1 683.57 613.52 39.99 o
4 6 1 3281.87 2915.26 119.00 o
5 6 1 96.88 100.68 31.55 o
6 6 1 6040.06 6959.25 357.76 o
7 6 1 3392.18 4077.89 145.87 o
-7 7 1 1088.65 1267.31 89.28 o
-6 7 1 2093.29 2239.67 193.45 o
-5 7 1 850.05 932.17 69.52 o
-4 7 1 7501.37 7267.75 285.53 o
-3 7 1 978.03 1021.83 53.76 o
-2 7 1 636.60 666.11 43.07 o
-1 7 1 15224.71 15827.84 200.67 o
0 7 1 8418.74 8444.08 201.77 o
1 7 1 3878.10 3773.99 67.91 o
2 7 1 6591.21 6372.84 111.32 o
3 7 1 108.79 164.36 31.44 o
4 7 1 1319.71 1226.44 193.92 o
5 7 1 6815.49 6139.67 365.36 o
6 7 1 1482.89 1592.93 99.83 o
7 7 1 169.82 233.38 62.62 o
-7 8 1 24.38 23.25 66.34 o
-6 8 1 338.19 383.18 91.15 o
-5 8 1 1581.19 1566.54 88.62 o
-4 8 1 164.41 181.99 76.57 o
-3 8 1 217.50 227.46 35.66 o
-2 8 1 157.67 199.99 33.36 o
-1 8 1 267.55 269.36 27.38 o
0 8 1 1932.07 2003.15 57.39 o
1 8 1 2572.31 2544.60 79.73 o
2 8 1 31.49 46.77 28.13 o
3 8 1 50.72 77.25 29.95 o
4 8 1 372.41 433.38 60.14 o
5 8 1 7.55 -6.72 34.10 o
6 8 1 571.53 614.77 105.10 o
-6 9 1 0.05 1.91 38.16 o
-5 9 1 268.18 352.62 57.71 o
-4 9 1 514.79 615.32 65.90 o
-3 9 1 194.16 207.71 38.60 o
-2 9 1 89.53 105.32 32.12 o
-1 9 1 446.24 482.11 64.82 o
0 9 1 539.92 583.40 38.52 o
1 9 1 19.54 10.95 25.16 o
2 9 1 656.52 683.15 53.86 o
3 9 1 237.53 260.66 43.38 o
4 9 1 51.74 64.57 41.76 o
5 9 1 240.53 328.51 55.03 o
6 9 1 243.25 214.84 80.92 o
-5 10 1 2347.46 2526.87 120.91 o
-4 10 1 215.17 208.49 53.26 o
-3 10 1 4.08 35.38 33.62 o
-2 10 1 382.96 479.72 49.55 o
-1 10 1 36.56 34.73 28.83 o
0 10 1 4314.42 4379.57 91.04 o
1 10 1 3548.99 3899.34 106.99 o
2 10 1 153.26 237.26 41.61 o
3 10 1 131.23 182.48 52.44 o
4 10 1 779.46 906.02 80.11 o
5 10 1 17.53 24.94 40.07 o
-4 11 1 2594.11 2691.46 130.36 o
-3 11 1 1228.36 1264.10 72.88 o
-2 11 1 950.67 1066.98 80.07 o
-1 11 1 4769.80 4850.45 120.98 o
0 11 1 3330.17 3312.29 83.96 o
1 11 1 283.96 338.56 48.14 o
2 11 1 1848.91 2124.94 90.38 o
3 11 1 378.70 425.35 64.67 o
4 11 1 870.55 978.00 88.85 o
-3 12 1 18.42 50.56 44.21 o
-2 12 1 8.98 34.48 34.04 o
-1 12 1 485.24 556.12 55.45 o
0 12 1 4770.54 4871.58 146.31 o
1 12 1 5019.86 5308.48 139.87 o
2 12 1 1397.04 1445.53 81.01 o
-9 0 2 361.93 369.23 97.66 o
-8 0 2 7.23 33.79 60.14 o
-7 0 2 583.68 596.48 95.80 o
-6 0 2 7717.87 7132.31 230.65 o
-5 0 2 83232.59 76473.51 740.64 o
-4 0 2 53138.52 47658.09 462.24 o
-3 0 2 330.66 323.97 33.17 o
-2 0 2 1778.24 2299.69 224.14 o
-1 0 2 9355.82 10290.49 112.23 o
0 0 2 18365.06 17674.54 150.67 o
1 0 2 115925.35 96366.95 558.50 o
2 0 2 72190.98 65136.52 1434.93 o
3 0 2 14429.91 15360.68 940.37 o
4 0 2 11267.91 11430.09 206.15 o
5 0 2 3858.90 4287.26 183.53 o
6 0 2 2846.46 3518.41 182.60 o
7 0 2 8543.47 9630.76 290.49 o
8 0 2 2882.11 3671.25 207.71 o
-9 1 2 4367.75 4656.77 147.05 o
-8 1 2 3811.28 3732.05 143.38 o
-7 1 2 6190.23 5981.97 153.23 o
-6 1 2 22589.06 21423.19 278.51 o
-5 1 2 7723.97 7169.39 809.77 o
-4 1 2 14465.97 12035.25 114.72 o
-3 1 2 23151.26 20243.51 148.89 o
-2 1 2 7018.83 7053.94 164.06 o
-1 1 2 83685.48 83308.77 2571.61 o
0 1 2 146250.73 140481.14 821.91 o
1 1 2 8410.27 7840.56 141.38 o
2 1 2 10113.04 8820.61 149.05 o
3 1 2 3048.36 2725.33 57.64 o
4 1 2 2621.48 2416.23 44.43 o
5 1 2 17167.50 18575.21 364.98 o
6 1 2 16244.50 19276.91 357.92 o
7 1 2 2941.51 3407.37 133.01 o
8 1 2 68.17 50.54 51.62 o
-9 2 2 902.87 988.47 82.21 o
-8 2 2 210.39 227.99 40.11 o
-7 2 2 324.72 328.69 57.63 o
-6 2 2 6585.68 6133.16 150.39 o
-5 2 2 18890.41 16422.02 650.86 o
-4 2 2 19503.00 16892.50 225.03 o
-3 2 2 17630.32 16283.41 123.07 o
-2 2 2 15574.97 15539.12 290.97 o
-1 2 2 79.92 178.59 13.55 o
0 2 2 8665.02 9075.54 299.09 o
1 2 2 20667.45 20283.71 238.07 o
2 2 2 28298.18 27750.97 481.35 o
3 2 2 17614.30 16409.42 568.91 o
4 2 2 6045.41 5396.97 70.70 o
5 2 2 416.04 415.24 37.80 o
6 2 2 840.22 1041.76 81.98 o
7 2 2 2155.17 2552.35 119.58 o
8 2 2 1472.61 1916.87 114.09 o
-9 3 2 444.22 592.12 71.02 o
-8 3 2 3821.86 4199.09 193.17 o
-7 3 2 2336.90 2489.20 89.35 o
-6 3 2 35.11 53.99 32.24 o
-5 3 2 355.95 355.67 26.60 o
-4 3 2 1893.60 1618.86 42.38 o
-3 3 2 5215.69 5198.74 58.63 o
-2 3 2 32566.01 32894.68 339.14 o
-1 3 2 14563.73 16113.69 342.29 o
0 3 2 2028.94 2529.79 98.49 o
1 3 2 1435.74 1417.74 65.47 o
2 3 2 767.10 650.47 25.18 o
3 3 2 1875.10 1748.87 59.78 o
4 3 2 7445.42 6695.93 178.15 o
5 3 2 2698.32 2542.20 170.17 o
6 3 2 610.59 788.53 81.69 o
7 3 2 872.92 1062.14 89.39 o
8 3 2 270.70 293.39 79.37 o
-9 4 2 402.33 512.63 54.10 o
-8 4 2 459.90 527.13 50.86 o
-7 4 2 1104.20 1240.25 64.21 o
-6 4 2 555.80 667.04 50.56 o
-5 4 2 4455.23 4082.55 93.26 o
-4 4 2 67.47 81.47 21.84 o
-3 4 2 16164.37 15748.85 322.68 o
-2 4 2 6.81 33.35 12.99 o
-1 4 2 20433.76 21156.01 149.03 o
0 4 2 333.00 383.91 25.40 o
1 4 2 12365.14 12489.88 257.09 o
2 4 2 1261.95 1339.07 45.58 o
3 4 2 9233.08 8693.27 251.75 o
4 4 2 43.65 77.78 18.32 o
5 4 2 2082.50 2014.20 91.24 o
6 4 2 4.11 13.54 29.41 o
7 4 2 157.01 260.99 59.95 o
-8 5 2 81.05 63.31 42.01 o
-7 5 2 12.07 30.76 40.05 o
-6 5 2 4819.06 4695.51 106.66 o
-5 5 2 854.65 804.32 49.48 o
-4 5 2 7876.51 7054.84 139.08 o
-3 5 2 2199.19 2136.73 117.26 o
-2 5 2 2927.98 2897.59 61.99 o
-1 5 2 1922.90 1962.03 50.90 o
0 5 2 21205.91 21575.15 312.25 o
1 5 2 919.22 942.19 42.45 o
2 5 2 5830.55 5513.75 117.66 o
3 5 2 334.24 315.53 27.53 o
4 5 2 652.32 570.49 43.82 o
5 5 2 857.97 935.24 68.06 o
6 5 2 2679.42 2990.45 97.76 o
7 5 2 137.98 125.87 81.23 o
-8 6 2 0.36 17.57 41.84 o
-7 6 2 61.45 84.27 42.16 o
-6 6 2 1067.96 1119.18 78.81 o
-5 6 2 8056.38 7818.65 131.69 o
-4 6 2 7975.80 7090.27 504.76 o
-3 6 2 990.42 895.12 45.05 o
-2 6 2 1087.41 1241.66 49.15 o
-1 6 2 1002.87 1012.68 36.45 o
0 6 2 3534.01 3591.78 60.87 o
1 6 2 12619.93 12629.64 113.61 o
2 6 2 5650.35 5582.88 99.08 o
3 6 2 3255.75 3088.12 67.12 o
4 6 2 3322.29 2976.32 149.91 o
5 6 2 342.84 284.51 38.39 o
6 6 2 538.87 590.26 65.17 o
7 6 2 799.03 1092.82 126.49 o
-8 7 2 3233.25 3492.18 133.75 o
-7 7 2 3620.30 3681.12 137.49 o
-6 7 2 1836.90 1682.07 91.74 o
-5 7 2 657.98 678.28 60.33 o
-4 7 2 14.31 59.77 36.48 o
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1 7 2 4051.26 3901.32 117.36 o
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3 7 2 1721.09 1757.92 68.57 o
4 7 2 6196.84 6362.11 351.41 o
5 7 2 5093.51 4840.53 172.06 o
6 7 2 2745.58 2711.72 118.41 o
-7 8 2 1960.42 2199.28 170.20 o
-6 8 2 4122.36 4207.72 138.83 o
-5 8 2 2596.79 2418.88 106.80 o
-4 8 2 9657.89 9801.70 352.49 o
-3 8 2 20654.63 20210.77 521.14 o
-2 8 2 3352.08 3384.82 87.48 o
-1 8 2 3360.58 3318.20 83.71 o
0 8 2 3613.05 3697.77 74.48 o
1 8 2 2647.73 2571.09 63.17 o
2 8 2 12676.69 12690.56 284.20 o
3 8 2 17118.18 17815.39 501.69 o
4 8 2 3104.42 3023.95 113.84 o
5 8 2 77.43 126.91 59.06 o
6 8 2 243.16 322.11 78.43 o
-6 9 2 403.71 366.34 61.75 o
-5 9 2 159.39 177.66 50.13 o
-4 9 2 919.21 993.63 75.00 o
-3 9 2 2376.72 2486.97 84.99 o
-2 9 2 22211.58 22609.74 233.72 o
-1 9 2 12620.87 12954.77 170.97 o
0 9 2 1695.52 1762.83 58.21 o
1 9 2 2740.47 2719.28 87.57 o
2 9 2 1420.26 1512.88 70.72 o
3 9 2 2181.34 2241.75 107.84 o
4 9 2 6714.22 6785.88 518.66 o
5 9 2 2829.40 3014.47 303.04 o
-6 10 2 1852.92 1869.75 107.62 o
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-4 10 2 3053.96 3210.20 139.66 o
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