#------------------------------------------------------------------------------
#$Date: 2009-09-11 11:49:26 +0300 (Fri, 11 Sep 2009) $
#$Revision: 819 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2222479.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_2222479_Fobs
loop_
_publ_author_name
'Ranjbar, Maryam'
'Najafi, S. Heidar Mahmoudi'
'Ng, Seik Weng'
_publ_section_title
;
catena-Poly[lead(II)-[\m-2,4-diamino-6-(piperidin-1-yl)pyrimidine
N-oxide-\k^2^O:O]di-\m-iodido]
;
_journal_coeditor_code TK2471
_journal_issue 7
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m749
_journal_volume 65
_journal_year 2009
_space_group_IT_number 62
_symmetry_space_group_name_Hall '-P 2ac 2n'
_symmetry_space_group_name_H-M 'P n m a'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_length_a 8.1010
_cell_length_b 13.5126
_cell_length_c 14.0140
_exptl_crystal_F_000 1200.00
_reflns_d_resolution_high 0.7699
_[local]_cod_data_source_file tk2471Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' Pnma'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 558.81
_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, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, 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
4 0 0 59796.97 58502.94 1829.49 o
6 0 0 62388.53 63802.92 1321.52 o
8 0 0 513.97 558.30 82.15 o
2 1 0 4149.54 4833.87 76.54 o
4 1 0 56977.67 57174.11 822.97 o
6 1 0 13584.56 13573.58 243.85 o
0 2 0 87282.35 80948.91 8774.83 o
2 2 0 199947.59 189629.03 2242.86 o
4 2 0 4987.31 5662.00 129.98 o
6 2 0 226.52 464.54 48.99 o
8 2 0 26990.97 27393.37 663.61 o
10 2 0 6153.11 6127.02 431.44 o
2 3 0 51482.18 53406.95 642.66 o
4 3 0 7545.83 7552.69 118.76 o
6 3 0 74582.39 75350.00 1038.56 o
8 3 0 2713.74 2723.78 166.97 o
10 3 0 4728.09 4717.88 391.48 o
0 4 0 2986.30 2850.34 100.17 o
2 4 0 147210.61 145833.92 1926.45 o
4 4 0 7485.59 7754.51 122.30 o
6 4 0 1334.84 1512.65 84.65 o
8 4 0 32236.35 33015.95 792.56 o
10 4 0 7312.32 7175.56 483.09 o
2 5 0 12154.29 12214.32 196.09 o
4 5 0 69023.32 68988.64 838.27 o
6 5 0 11273.47 11172.83 208.92 o
8 5 0 4463.93 4609.78 219.35 o
10 5 0 3315.50 3707.96 225.09 o
0 6 0 312271.53 297351.00 8552.55 o
2 6 0 13187.94 12931.41 212.31 o
4 6 0 61032.34 61637.05 756.66 o
6 6 0 33005.74 32799.17 497.65 o
8 6 0 1061.29 1093.15 151.09 o
2 7 0 6127.51 5969.31 310.98 o
4 7 0 62785.95 61946.57 867.55 o
6 7 0 4319.67 4338.15 201.05 o
8 7 0 9034.78 9150.81 339.12 o
0 8 0 28055.39 27589.38 805.33 o
2 8 0 58800.98 56850.24 1210.03 o
4 8 0 80.12 165.03 80.74 o
6 8 0 542.23 584.16 99.26 o
8 8 0 16073.17 16469.76 946.07 o
2 9 0 19548.59 18712.95 479.11 o
4 9 0 3912.52 4188.78 207.30 o
6 9 0 43959.57 42628.41 1001.27 o
8 9 0 943.25 1106.48 156.36 o
0 10 0 8936.37 8852.22 288.58 o
2 10 0 102988.16 94265.29 1853.64 o
4 10 0 9044.87 8903.44 235.51 o
6 10 0 574.29 614.04 114.29 o
8 10 0 19251.74 19662.42 597.42 o
2 11 0 1250.37 1187.37 98.73 o
4 11 0 18086.53 16865.56 375.66 o
6 11 0 11130.83 10945.47 387.58 o
8 11 0 4511.72 4635.44 270.54 o
0 12 0 167121.06 164840.95 3354.15 o
2 12 0 704.37 730.50 77.03 o
4 12 0 19792.50 19221.02 547.72 o
6 12 0 19908.54 19438.51 577.97 o
2 13 0 720.37 794.12 82.71 o
4 13 0 23645.58 23547.84 647.37 o
6 13 0 2386.61 2261.24 199.94 o
0 14 0 16359.12 16797.28 506.55 o
2 14 0 15226.96 15485.54 338.93 o
4 14 0 235.01 72.17 165.27 o
6 14 0 1187.99 1210.38 252.79 o
2 15 0 10233.25 10635.68 312.89 o
4 15 0 2938.71 2648.35 216.44 o
0 16 0 417.57 306.41 173.67 o
2 16 0 31316.99 31648.80 845.39 o
4 16 0 3427.25 3119.19 240.09 o
2 17 0 3021.79 3161.15 326.70 o
1 0 1 726.76 852.30 24.80 o
2 0 1 15834.56 16226.98 217.64 o
3 0 1 1469.71 1531.67 47.52 o
4 0 1 147541.84 143871.44 2009.86 o
5 0 1 8181.73 8697.87 195.95 o
6 0 1 6748.80 6751.94 175.40 o
7 0 1 7848.91 7915.63 172.91 o
8 0 1 22602.87 22425.75 552.08 o
9 0 1 1294.52 1392.96 199.56 o
0 1 1 144066.58 132313.63 1659.78 o
1 1 1 394.55 587.87 21.99 o
2 1 1 1863.44 2159.62 34.82 o
3 1 1 23986.70 24999.20 260.07 o
4 1 1 18952.81 19152.69 214.34 o
5 1 1 2560.36 2729.94 56.20 o
6 1 1 18701.36 19499.00 266.77 o
7 1 1 1549.45 1623.26 60.65 o
8 1 1 5427.78 5522.08 179.50 o
9 1 1 76.55 79.97 86.12 o
10 1 1 17300.95 17273.06 791.67 o
1 2 1 148.10 245.00 16.49 o
2 2 1 46067.06 46562.39 378.00 o
3 2 1 1972.31 2131.75 60.66 o
4 2 1 42501.80 43645.66 478.59 o
5 2 1 243.98 239.64 23.36 o
6 2 1 52053.07 53648.55 634.60 o
7 2 1 224.13 242.87 38.13 o
8 2 1 375.66 519.93 54.31 o
9 2 1 1573.93 1826.98 121.57 o
10 2 1 231.20 393.86 180.93 o
0 3 1 3228.56 3529.67 79.89 o
1 3 1 30182.85 30925.26 303.52 o
2 3 1 225638.75 209679.48 1965.67 o
3 3 1 13127.04 13148.66 133.37 o
4 3 1 29469.95 30259.55 306.07 o
5 3 1 16955.69 16898.70 177.54 o
6 3 1 5296.98 5448.85 85.43 o
7 3 1 2497.45 2638.77 87.90 o
8 3 1 37842.41 39020.12 636.61 o
9 3 1 1137.72 1304.89 93.95 o
10 3 1 3096.12 2951.80 220.96 o
1 4 1 439.86 508.83 20.27 o
2 4 1 29443.24 29570.83 295.72 o
3 4 1 2124.48 2171.47 41.51 o
4 4 1 26362.24 26904.73 245.80 o
5 4 1 1756.16 1868.92 45.67 o
6 4 1 53894.27 53737.13 539.74 o
7 4 1 233.70 317.78 44.46 o
8 4 1 278.24 275.66 60.57 o
9 4 1 1998.24 2028.82 111.51 o
10 4 1 1019.97 1124.96 165.45 o
0 5 1 181896.30 172556.69 5310.08 o
1 5 1 498.00 500.00 26.65 o
2 5 1 9943.00 10203.33 119.96 o
3 5 1 4089.15 4129.98 59.51 o
4 5 1 10275.68 10499.27 120.62 o
5 5 1 1014.05 1082.10 41.17 o
6 5 1 12197.15 12355.99 192.77 o
7 5 1 1385.19 1480.59 72.60 o
8 5 1 5585.07 5822.70 175.33 o
9 5 1 4.18 -37.45 55.51 o
10 5 1 10178.70 10630.87 274.51 o
1 6 1 887.02 891.49 33.00 o
2 6 1 3577.58 3427.70 69.36 o
3 6 1 3.30 64.97 16.95 o
4 6 1 82381.98 81693.38 741.67 o
5 6 1 1689.28 1745.48 58.76 o
6 6 1 5369.06 5417.28 115.02 o
7 6 1 7221.27 7359.74 193.55 o
8 6 1 23001.63 22742.06 524.38 o
9 6 1 1149.94 1133.83 97.69 o
0 7 1 168430.13 156640.09 3528.98 o
1 7 1 5181.51 4956.81 100.54 o
2 7 1 552.18 739.80 70.24 o
3 7 1 8805.14 8607.39 123.62 o
4 7 1 20860.69 20608.27 215.47 o
5 7 1 2647.56 2734.52 79.29 o
6 7 1 18836.29 18534.27 269.09 o
7 7 1 2776.54 2976.88 126.79 o
8 7 1 2506.20 2650.12 129.50 o
9 7 1 104.18 107.27 68.34 o
1 8 1 534.91 585.62 40.33 o
2 8 1 18588.03 18111.25 227.55 o
3 8 1 479.52 551.23 38.76 o
4 8 1 25749.08 25631.08 282.58 o
5 8 1 276.98 354.89 40.90 o
6 8 1 28938.26 28368.16 499.77 o
7 8 1 3.16 3.77 52.76 o
8 8 1 1136.89 1364.80 105.80 o
9 8 1 555.64 727.59 94.56 o
0 9 1 1789.32 1916.77 86.23 o
1 9 1 13599.36 13249.54 183.01 o
2 9 1 97482.46 91611.16 1061.80 o
3 9 1 5034.86 5014.72 106.79 o
4 9 1 14329.50 13956.58 195.91 o
5 9 1 8712.08 8498.43 183.12 o
6 9 1 2644.64 2619.81 140.69 o
7 9 1 1414.35 1486.42 147.23 o
8 9 1 24090.05 24266.36 477.90 o
9 9 1 642.74 797.90 104.05 o
1 10 1 11.58 57.82 30.28 o
2 10 1 20148.48 19473.59 265.83 o
3 10 1 1631.42 1671.18 77.02 o
4 10 1 14483.36 14264.61 255.79 o
5 10 1 375.48 522.93 76.46 o
6 10 1 32413.29 31982.39 569.10 o
7 10 1 562.18 568.96 83.74 o
8 10 1 131.71 137.23 76.45 o
0 11 1 31422.75 31299.01 528.77 o
1 11 1 187.52 290.67 37.25 o
2 11 1 4334.99 4242.43 100.28 o
3 11 1 2712.26 2542.22 110.88 o
4 11 1 2119.69 1954.66 91.76 o
5 11 1 24.66 30.73 56.18 o
6 11 1 3779.72 3836.42 158.57 o
7 11 1 84.59 48.44 68.54 o
8 11 1 5214.64 5769.31 213.45 o
1 12 1 23.45 57.72 38.40 o
2 12 1 3916.42 3720.73 97.67 o
3 12 1 36.40 48.20 38.56 o
4 12 1 39600.12 36687.49 625.92 o
5 12 1 2224.05 2251.80 180.97 o
6 12 1 2716.68 2856.20 172.90 o
7 12 1 2459.23 2345.56 168.84 o
0 13 1 59071.26 60086.45 950.55 o
1 13 1 2064.70 2153.61 82.43 o
2 13 1 630.35 468.57 48.92 o
3 13 1 7191.99 7180.16 170.76 o
4 13 1 11473.19 11192.26 296.67 o
5 13 1 1363.97 1309.39 191.56 o
6 13 1 10253.69 10499.91 337.92 o
7 13 1 1152.91 1150.55 140.95 o
1 14 1 102.44 29.64 43.23 o
2 14 1 6718.38 6816.45 171.64 o
3 14 1 101.30 114.47 55.50 o
4 14 1 11989.14 11774.02 274.73 o
5 14 1 0.51 52.53 76.55 o
6 14 1 10501.25 10186.12 343.91 o
0 15 1 443.35 401.64 106.89 o
1 15 1 3651.96 3954.07 125.53 o
2 15 1 37001.08 37472.94 542.26 o
3 15 1 1815.43 1850.80 130.68 o
4 15 1 3951.07 3842.35 302.24 o
5 15 1 3054.46 2970.51 162.62 o
1 16 1 49.33 92.71 64.11 o
2 16 1 5985.59 5919.76 205.81 o
3 16 1 433.41 327.72 89.07 o
4 16 1 3943.46 3756.11 181.20 o
0 17 1 12627.79 13949.51 477.58 o
1 17 1 89.65 20.48 118.45 o
2 17 1 5407.43 5554.52 247.11 o
0 0 2 183041.97 171652.52 3104.60 o
1 0 2 56750.73 58443.64 1085.96 o
2 0 2 5158.97 5203.35 113.17 o
3 0 2 99208.43 97615.56 1209.79 o
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6 0 2 17405.30 17870.76 306.00 o
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8 0 2 5248.70 5279.24 330.78 o
9 0 2 1933.26 2034.13 226.73 o
1 1 2 1703.61 1845.49 20.21 o
2 1 2 48553.21 49511.77 625.94 o
3 1 2 954.03 987.18 74.79 o
4 1 2 65711.61 65960.23 708.56 o
5 1 2 2755.32 2916.86 75.17 o
6 1 2 10785.32 10976.95 171.53 o
7 1 2 10671.77 10804.13 161.26 o
8 1 2 6413.98 6523.11 136.94 o
9 1 2 77.01 203.85 79.30 o
10 1 2 1414.61 1845.85 251.15 o
0 2 2 42450.80 43201.90 535.43 o
1 2 2 30971.57 32082.51 336.28 o
2 2 2 86098.67 86125.71 833.00 o
3 2 2 3898.29 4075.45 68.03 o
4 2 2 313.66 473.13 30.34 o
5 2 2 11349.18 11481.74 145.35 o
6 2 2 173.51 287.93 35.43 o
7 2 2 706.71 755.73 47.63 o
8 2 2 19187.32 19693.37 315.70 o
9 2 2 1117.91 1143.62 105.71 o
10 2 2 8517.04 8436.77 509.83 o
1 3 2 1618.24 1724.91 44.67 o
2 3 2 28012.54 28474.79 333.62 o
3 3 2 14658.40 15072.68 164.59 o
4 3 2 25633.70 25902.52 271.14 o
5 3 2 10233.87 10454.57 132.60 o
6 3 2 46515.69 46201.96 504.46 o
7 3 2 5133.33 5318.47 127.00 o
8 3 2 161.02 174.17 48.20 o
9 3 2 12906.69 12832.33 282.96 o
10 3 2 668.90 761.79 144.13 o
0 4 2 29310.69 29220.08 707.76 o
1 4 2 40770.87 40867.03 432.44 o
2 4 2 78182.02 77867.28 870.66 o
3 4 2 7447.21 7755.56 90.39 o
4 4 2 1042.64 1154.81 34.97 o
5 4 2 18062.42 17875.41 203.31 o
6 4 2 588.60 714.41 44.21 o
7 4 2 1340.26 1419.34 70.51 o
8 4 2 20692.65 20590.84 388.52 o
9 4 2 1708.02 1760.33 106.05 o
10 4 2 7021.50 6844.98 254.92 o
1 5 2 3483.41 3439.60 56.05 o
2 5 2 14579.43 14566.08 192.16 o
3 5 2 1229.70 1345.32 36.33 o
4 5 2 38036.06 37778.78 360.13 o
5 5 2 1706.37 1831.56 51.32 o
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7 5 2 3982.92 4075.98 104.28 o
8 5 2 6649.64 6841.12 193.22 o
9 5 2 152.01 147.89 63.10 o
10 5 2 1205.84 1328.63 197.88 o
0 6 2 139334.17 130993.67 2482.96 o
1 6 2 37099.22 35631.02 389.93 o
2 6 2 1867.75 2100.35 55.02 o
3 6 2 68956.70 68549.02 723.91 o
4 6 2 23303.27 22368.62 336.58 o
5 6 2 15552.64 15671.65 223.69 o
6 6 2 23591.54 23651.56 324.26 o
7 6 2 14627.06 13789.42 223.68 o
8 6 2 4862.52 5214.99 176.62 o
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2 7 2 10260.80 9970.00 151.27 o
3 7 2 46.33 113.38 23.60 o
4 7 2 36572.74 36243.87 409.87 o
5 7 2 3861.73 3826.90 95.09 o
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7 7 2 7059.69 7187.27 199.03 o
8 7 2 7130.21 6858.41 204.88 o
9 7 2 949.97 994.68 118.60 o
0 8 2 31332.35 31276.36 624.62 o
1 8 2 6603.12 6598.69 99.70 o
2 8 2 38219.57 37388.01 421.51 o
3 8 2 77.65 104.32 27.45 o
4 8 2 100.86 107.90 27.10 o
5 8 2 4462.24 4528.30 107.85 o
6 8 2 935.28 984.43 60.73 o
7 8 2 20.86 81.37 56.74 o
8 8 2 11787.24 11813.37 287.11 o
9 8 2 263.80 231.78 92.23 o
1 9 2 433.35 485.55 35.23 o
2 9 2 17272.61 16687.49 209.82 o
3 9 2 7033.80 6931.12 129.20 o
4 9 2 14859.49 14570.45 248.96 o
5 9 2 5484.56 5460.23 133.47 o
6 9 2 26490.88 26056.55 478.11 o
7 9 2 2559.78 2345.42 124.52 o
8 9 2 126.41 184.25 88.43 o
0 10 2 9934.63 9562.83 185.28 o
1 10 2 24681.74 24155.23 321.85 o
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3 10 2 7203.51 7017.62 126.69 o
4 10 2 22.54 68.68 35.50 o
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6 10 2 200.19 265.89 82.13 o
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8 10 2 12664.86 12773.80 380.68 o
1 11 2 916.72 829.26 48.68 o
2 11 2 13220.25 12657.58 190.68 o
3 11 2 642.77 628.30 57.52 o
4 11 2 22299.68 22068.41 438.90 o
5 11 2 104.80 106.06 56.44 o
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0 12 2 49476.35 48688.56 919.96 o
1 12 2 14036.12 14121.34 196.08 o
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4 12 2 16895.41 15965.61 342.62 o
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6 12 2 6683.94 7107.72 263.70 o
7 12 2 5691.90 5360.73 239.85 o
1 13 2 1675.88 1848.04 78.44 o
2 13 2 6758.92 6594.69 145.17 o
3 13 2 34.52 100.46 50.38 o
4 13 2 19114.86 18534.95 459.63 o
5 13 2 1694.46 1644.61 119.89 o
6 13 2 3332.80 3282.15 238.64 o
0 14 2 13117.19 13489.17 352.06 o
1 14 2 418.84 706.07 71.08 o
2 14 2 11967.34 12200.25 218.43 o
3 14 2 161.54 188.33 57.56 o
4 14 2 334.32 309.67 76.16 o
5 14 2 683.89 514.33 94.71 o
6 14 2 665.21 696.81 108.28 o
1 15 2 406.20 483.85 70.17 o
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3 15 2 2334.19 2472.36 105.68 o
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5 15 2 1819.01 1854.99 144.26 o
0 16 2 3495.12 3706.18 223.29 o
1 16 2 10163.20 11023.73 274.94 o
2 16 2 15917.45 17543.15 514.41 o
3 16 2 3358.33 3520.20 236.71 o
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1 17 2 406.99 499.93 90.70 o
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1 0 3 33933.22 34250.80 440.91 o
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4 0 3 23689.79 23717.51 837.48 o
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6 0 3 17476.24 17910.45 449.03 o
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8 0 3 7303.60 6970.19 252.28 o
9 0 3 7360.71 7783.18 442.56 o
10 0 3 18.62 60.49 142.41 o
0 1 3 72576.53 73442.45 947.65 o
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3 1 3 45698.63 46177.84 598.78 o
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5 1 3 522.76 657.63 44.34 o
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3 2 3 10050.22 10055.97 134.23 o
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5 2 3 4315.18 4559.29 88.59 o
6 2 3 22045.34 22144.95 304.84 o
7 2 3 260.03 329.73 41.05 o
8 2 3 4071.43 4206.31 139.46 o
9 2 3 4440.58 4746.21 175.99 o
10 2 3 37.19 241.44 155.58 o
0 3 3 65042.11 64721.13 1029.92 o
1 3 3 163284.41 157024.97 1757.09 o
2 3 3 36093.99 36653.12 392.64 o
3 3 3 32105.18 32482.25 390.52 o
4 3 3 1194.01 1375.87 64.44 o
5 3 3 63406.28 61820.21 655.75 o
6 3 3 3161.58 3339.11 79.51 o
7 3 3 5163.28 5289.08 128.29 o
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9 3 3 6256.79 6446.40 297.50 o
10 3 3 8742.90 9046.09 349.26 o
1 4 3 159.04 229.30 21.50 o
2 4 3 30323.44 31703.68 320.46 o
3 4 3 10772.44 10987.69 159.47 o
4 4 3 42883.83 42521.84 458.78 o
5 4 3 4759.88 4800.77 84.20 o
6 4 3 19467.36 19395.65 249.98 o
7 4 3 593.81 680.87 65.30 o
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9 4 3 8927.01 9308.56 287.81 o
10 4 3 203.87 249.28 93.31 o
0 5 3 31909.12 30489.32 537.59 o
1 5 3 3099.21 3003.73 81.28 o
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3 5 3 32066.17 32911.28 365.21 o
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1 0 17 8635.78 8631.17 224.96 o
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