#------------------------------------------------------------------------------
#$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $
#$Revision: 691 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2218487.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_2218487_Fobs
loop_
_publ_author_name
'Qiu, Zhi-Hui'
'Liang, Fu-Pei'
'Ruan, Qing-Feng'
'Chen, Zi-Lu'
_publ_section_title
;
 <i>catena</i>-Poly[[aqua[3-(3-pyridyl)acrylato]gadolinium(III)]-bis[\m-3-(3-pyridyl)acrylato]]
;
_journal_coeditor_code           OM2225
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m789
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.741
_cell_angle_beta                 90.309
_cell_angle_gamma                95.260
_cell_length_a                   6.2118
_cell_length_b                   12.7222
_cell_length_c                   15.6601
_exptl_crystal_F_000             610.00
_reflns_d_resolution_high        0.8406
_[local]_cod_data_source_file    om2225Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 51104c in P-1'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            218.20
_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
1 0 0 267.59 268.39 12.89 o
2 0 0 11933.17 12899.33 326.69 o
3 0 0 30.63 26.44 9.34 o
4 0 0 5922.45 6663.93 175.21 o
5 0 0 282.17 286.52 16.06 o
6 0 0 9328.57 10156.04 267.96 o
7 0 0 190.00 124.69 22.94 o
-7 1 0 30.33 14.11 16.26 o
-6 1 0 5695.85 6215.23 237.18 o
-5 1 0 89.06 101.92 11.34 o
-4 1 0 4523.78 4980.14 132.93 o
-3 1 0 483.12 526.15 19.03 o
-2 1 0 4554.27 5229.61 134.83 o
-1 1 0 346.27 311.46 13.28 o
0 1 0 22964.49 12147.16 448.78 o
1 1 0 266.12 279.70 13.90 o
2 1 0 2710.35 2785.88 73.86 o
3 1 0 810.40 834.23 26.95 o
4 1 0 5787.53 6686.59 175.79 o
5 1 0 732.71 758.55 36.62 o
6 1 0 2029.68 2222.37 69.09 o
-7 2 0 62.94 22.05 17.84 o
-6 2 0 3516.23 3838.22 155.13 o
-5 2 0 1.02 1.33 6.40 o
-4 2 0 6638.94 7572.88 238.52 o
-3 2 0 3610.45 4325.12 114.14 o
-2 2 0 11634.26 11937.82 387.47 o
-1 2 0 1340.12 1370.36 36.83 o
0 2 0 23693.47 19845.59 1508.07 o
1 2 0 12312.88 11606.53 981.18 o
2 2 0 7033.54 6881.56 187.58 o
3 2 0 4895.38 5437.30 147.69 o
4 2 0 3607.96 3885.53 120.51 o
5 2 0 1294.64 1464.06 47.36 o
6 2 0 1824.41 1992.68 63.13 o
7 2 0 1024.64 1080.90 60.76 o
-7 3 0 37.53 14.63 17.80 o
-6 3 0 4004.63 4326.40 173.01 o
-5 3 0 529.34 577.64 36.69 o
-4 3 0 10543.06 12343.56 316.80 o
-3 3 0 905.58 844.50 47.27 o
-2 3 0 5360.12 5587.99 143.80 o
-1 3 0 46.20 43.28 3.18 o
0 3 0 2608.76 2688.88 74.33 o
1 3 0 21887.45 21180.44 767.56 o
2 3 0 14425.15 15724.82 397.58 o
3 3 0 2815.26 2858.21 77.80 o
4 3 0 7356.04 7726.16 201.91 o
5 3 0 1365.89 1425.58 66.66 o
6 3 0 579.61 593.61 39.77 o
7 3 0 1616.26 1612.49 82.41 o
-7 4 0 175.36 142.61 27.16 o
-6 4 0 2214.53 2403.40 105.88 o
-5 4 0 1378.93 1530.69 71.18 o
-4 4 0 5626.13 6158.00 229.44 o
-3 4 0 3733.60 4258.88 112.10 o
-2 4 0 5296.16 5275.43 340.22 o
-1 4 0 1899.26 1976.82 52.20 o
0 4 0 1919.38 1894.21 97.17 o
1 4 0 22674.16 22758.27 825.36 o
2 4 0 5144.43 5296.64 200.21 o
3 4 0 4094.21 4415.08 116.90 o
4 4 0 2943.82 3099.65 127.61 o
5 4 0 1475.83 1593.93 76.13 o
6 4 0 638.06 674.89 43.94 o
-7 5 0 260.41 258.01 28.62 o
-6 5 0 2296.54 2295.65 102.52 o
-5 5 0 3063.08 3263.99 132.88 o
-4 5 0 3553.72 3921.04 152.13 o
-3 5 0 3021.24 3253.38 86.70 o
-2 5 0 3187.80 3261.44 172.75 o
-1 5 0 1033.95 940.22 23.65 o
0 5 0 3320.29 3231.55 71.52 o
1 5 0 23576.21 22485.85 1713.57 o
2 5 0 876.60 845.39 53.20 o
3 5 0 1752.59 1816.96 79.21 o
4 5 0 988.33 956.86 50.83 o
5 5 0 3771.25 3789.62 157.16 o
6 5 0 375.16 374.39 33.16 o
-6 6 0 1094.32 1150.75 61.82 o
-5 6 0 3633.32 3748.03 150.35 o
-4 6 0 1804.69 1941.12 83.26 o
-3 6 0 3850.73 4179.09 157.97 o
-2 6 0 1716.78 1810.39 71.99 o
-1 6 0 14175.49 14920.33 315.22 o
0 6 0 2352.55 2367.94 54.29 o
1 6 0 5668.32 5615.29 157.52 o
2 6 0 28.67 26.02 7.44 o
3 6 0 2116.55 2122.32 91.29 o
4 6 0 261.15 264.13 23.67 o
5 6 0 4968.56 4682.55 190.56 o
6 6 0 226.66 203.37 24.81 o
-6 7 0 994.77 979.20 56.14 o
-5 7 0 2573.85 2649.37 112.53 o
-4 7 0 1884.03 1948.01 84.19 o
-3 7 0 4165.69 4449.02 168.06 o
-2 7 0 1588.05 1748.74 53.28 o
-1 7 0 4137.91 4240.38 93.75 o
0 7 0 2133.16 2144.59 50.23 o
1 7 0 3105.30 3146.40 94.22 o
2 7 0 92.84 98.96 14.25 o
3 7 0 3950.17 3931.17 157.81 o
4 7 0 261.30 241.72 23.43 o
5 7 0 3279.58 3090.61 134.30 o
6 7 0 103.26 98.83 22.42 o
-6 8 0 466.28 437.75 36.00 o
-5 8 0 2711.44 2784.48 117.88 o
-4 8 0 41.74 35.39 12.89 o
-3 8 0 3383.79 3537.36 137.01 o
-2 8 0 22.45 21.46 6.76 o
-1 8 0 3703.75 3927.93 110.46 o
0 8 0 608.68 626.69 25.58 o
1 8 0 5130.72 4908.29 141.78 o
2 8 0 1102.28 1112.20 42.90 o
3 8 0 2571.86 2581.80 110.42 o
4 8 0 10.22 2.68 12.89 o
5 8 0 2659.60 2528.78 114.92 o
-6 9 0 400.30 416.96 34.54 o
-5 9 0 4868.02 4891.60 192.47 o
-4 9 0 144.42 174.63 22.42 o
-3 9 0 5042.48 5374.01 150.23 o
-2 9 0 5.90 5.11 6.98 o
-1 9 0 3140.81 3244.03 93.04 o
0 9 0 89.75 68.81 17.47 o
1 9 0 7939.90 8176.94 317.26 o
2 9 0 85.51 68.03 12.26 o
3 9 0 3482.36 3294.36 173.92 o
4 9 0 9.74 9.32 13.78 o
5 9 0 1499.75 1541.68 79.78 o
-5 10 0 2759.53 2896.73 123.19 o
-4 10 0 323.67 316.43 27.28 o
-3 10 0 4086.47 4412.78 126.57 o
-2 10 0 56.60 56.24 10.44 o
-1 10 0 3284.02 3251.99 150.02 o
0 10 0 319.77 311.94 18.50 o
1 10 0 4954.50 4936.80 151.14 o
2 10 0 1129.94 1131.73 46.42 o
3 10 0 2284.46 2246.44 79.14 o
4 10 0 57.17 32.83 16.50 o
-5 11 0 1566.53 1512.37 74.87 o
-4 11 0 338.73 313.50 20.74 o
-3 11 0 3019.69 3353.77 100.69 o
-2 11 0 643.76 683.40 50.22 o
-1 11 0 1881.32 1877.28 100.81 o
0 11 0 1650.03 1573.38 92.22 o
1 11 0 1759.54 1831.68 66.91 o
2 11 0 318.09 320.66 22.72 o
3 11 0 1360.69 1333.55 55.31 o
-4 12 0 214.70 219.09 19.76 o
-3 12 0 2327.29 2582.45 128.99 o
-2 12 0 372.32 374.92 40.62 o
-1 12 0 2148.25 2288.32 121.16 o
0 12 0 300.87 350.92 44.14 o
1 12 0 1723.45 1854.42 109.89 o
2 12 0 554.34 510.89 49.49 o
3 12 0 1283.37 1413.61 59.07 o
-3 13 0 687.37 769.74 61.09 o
-2 13 0 1063.99 1033.23 71.34 o
-1 13 0 1539.32 1606.94 98.02 o
0 13 0 530.40 475.33 52.62 o
1 13 0 1176.41 1286.06 89.34 o
2 13 0 774.36 788.37 40.35 o
-1 14 0 988.72 972.75 73.74 o
0 -14 1 1263.26 1373.33 92.83 o
1 -14 1 192.77 207.55 40.66 o
2 -14 1 1807.91 1795.11 105.56 o
-2 -13 1 1055.49 1118.94 49.16 o
-1 -13 1 356.01 442.13 57.85 o
0 -13 1 1269.89 1403.41 91.53 o
1 -13 1 580.91 475.29 48.81 o
2 -13 1 1557.60 1598.92 93.56 o
3 -13 1 330.92 371.96 40.54 o
-3 -12 1 513.37 478.56 53.81 o
-2 -12 1 1215.51 1276.59 52.49 o
-1 -12 1 118.01 88.24 36.83 o
0 -12 1 2865.42 2844.76 145.20 o
1 -12 1 377.11 413.55 42.12 o
2 -12 1 2234.27 2312.88 118.12 o
3 -12 1 1565.11 1597.86 89.63 o
4 -12 1 1270.10 1316.21 50.15 o
-4 -11 1 1678.54 1750.24 86.87 o
-3 -11 1 1924.20 1775.83 130.20 o
-2 -11 1 1751.73 1784.82 74.57 o
-1 -11 1 2295.06 2266.04 76.30 o
0 -11 1 3171.86 3093.29 150.96 o
1 -11 1 725.69 735.21 53.26 o
2 -11 1 1229.52 1366.97 77.18 o
3 -11 1 2996.71 3171.54 95.51 o
4 -11 1 1450.84 1523.79 54.58 o
5 -11 1 903.25 898.37 52.17 o
-4 -10 1 1465.90 1310.90 68.75 o
-3 -10 1 2963.93 2759.54 224.77 o
-2 -10 1 2759.93 2764.06 89.86 o
-1 -10 1 756.94 791.10 45.85 o
0 -10 1 580.72 574.36 26.31 o
1 -10 1 1164.06 1185.44 68.87 o
2 -10 1 779.75 804.34 31.32 o
3 -10 1 3476.47 3712.24 108.38 o
4 -10 1 1002.62 1015.03 52.78 o
5 -10 1 1779.13 1800.22 83.71 o
-5 -9 1 1343.13 1383.14 73.65 o
-4 -9 1 781.29 797.84 47.71 o
-3 -9 1 3643.62 3386.60 107.25 o
-2 -9 1 3554.39 3512.11 108.41 o
-1 -9 1 4133.19 4064.80 121.13 o
0 -9 1 60.10 55.85 10.48 o
1 -9 1 2992.23 3068.78 92.34 o
2 -9 1 1043.42 1106.47 38.24 o
3 -9 1 3846.66 3998.18 153.55 o
4 -9 1 779.61 766.50 43.09 o
5 -9 1 3561.22 3708.02 150.59 o
6 -9 1 63.45 51.72 17.51 o
-5 -8 1 1670.05 1587.52 79.57 o
-4 -8 1 1415.05 1263.15 64.33 o
-3 -8 1 3597.25 3572.51 145.36 o
-2 -8 1 778.17 718.23 52.72 o
-1 -8 1 4563.86 4533.46 131.65 o
0 -8 1 147.33 135.56 10.99 o
1 -8 1 4800.17 5064.22 111.48 o
2 -8 1 2095.55 2303.45 68.31 o
3 -8 1 3373.35 3592.17 138.72 o
4 -8 1 265.95 263.45 23.31 o
5 -8 1 3796.63 3822.33 153.75 o
6 -8 1 7.76 -4.54 14.15 o
-6 -7 1 319.83 303.66 32.23 o
-5 -7 1 2276.31 2201.77 101.02 o
-4 -7 1 17.11 23.27 11.92 o
-3 -7 1 5000.24 4931.85 193.03 o
-2 -7 1 25.03 12.81 7.03 o
-1 -7 1 7720.94 7430.78 205.73 o
0 -7 1 655.88 676.90 18.75 o
1 -7 1 12238.83 12770.37 286.36 o
2 -7 1 212.75 208.55 10.96 o
3 -7 1 6136.67 6418.93 236.49 o
4 -7 1 45.88 47.63 13.94 o
5 -7 1 3608.83 3574.78 144.59 o
6 -7 1 1.10 0.16 13.74 o
-6 -6 1 124.22 113.06 21.93 o
-5 -6 1 2795.97 2741.23 119.78 o
-4 -6 1 1.66 16.78 11.67 o
-3 -6 1 6238.01 6232.02 238.68 o
-2 -6 1 91.71 79.66 10.21 o
-1 -6 1 14196.12 13605.42 735.73 o
0 -6 1 282.77 282.52 10.12 o
1 -6 1 8986.93 9263.37 197.18 o
2 -6 1 103.39 108.52 9.28 o
3 -6 1 4038.99 4202.32 158.58 o
4 -6 1 881.42 864.48 44.55 o
5 -6 1 5442.95 5662.12 216.83 o
6 -6 1 175.78 169.60 24.24 o
7 -6 1 1951.00 2024.38 97.17 o
-6 -5 1 4.85 -3.97 13.86 o
-5 -5 1 1969.92 1993.70 91.25 o
-4 -5 1 86.22 84.80 15.20 o
-3 -5 1 3859.16 3650.58 144.43 o
-2 -5 1 2244.25 2465.33 83.38 o
-1 -5 1 17321.80 15778.39 1206.60 o
0 -5 1 44.06 62.85 6.19 o
1 -5 1 7811.48 7915.07 168.60 o
2 -5 1 1025.03 1053.33 49.90 o
3 -5 1 7299.35 7650.97 269.89 o
4 -5 1 1417.49 1460.69 65.34 o
5 -5 1 4988.33 5442.81 208.56 o
6 -5 1 405.21 408.16 32.55 o
7 -5 1 1273.00 1282.81 69.52 o
-6 -4 1 44.50 27.81 15.12 o
-5 -4 1 4058.75 4349.95 175.68 o
-4 -4 1 163.43 185.33 18.57 o
-3 -4 1 5598.55 5899.14 153.84 o
-2 -4 1 1201.04 1186.90 51.56 o
-1 -4 1 5436.11 5049.03 391.42 o
0 -4 1 2796.90 2874.39 80.01 o
1 -4 1 1264.30 1252.48 34.40 o
2 -4 1 3224.56 3282.60 122.10 o
3 -4 1 12484.44 12991.90 429.26 o
4 -4 1 2586.83 2668.48 97.39 o
5 -4 1 3313.29 3429.41 137.58 o
6 -4 1 1805.18 1758.18 82.65 o
7 -4 1 754.73 805.54 50.79 o
-7 -3 1 1223.14 1270.57 68.59 o
-6 -3 1 243.19 275.24 26.27 o
-5 -3 1 863.13 906.94 32.96 o
-4 -3 1 8.34 5.29 5.71 o
-3 -3 1 4041.86 4329.04 114.51 o
-2 -3 1 5697.98 6060.02 155.70 o
-1 -3 1 424.65 369.60 17.67 o
0 -3 1 8321.88 8282.59 219.44 o
1 -3 1 6309.55 5987.80 241.25 o
2 -3 1 4366.83 4354.90 181.04 o
3 -3 1 8215.55 8575.27 220.29 o
4 -3 1 4842.93 5340.29 141.71 o
5 -3 1 1347.23 1420.99 50.22 o
6 -3 1 1995.83 2008.49 90.68 o
7 -3 1 1232.86 1285.77 68.87 o
-7 -2 1 1433.56 1596.52 80.06 o
-6 -2 1 912.39 958.81 36.32 o
-5 -2 1 8467.15 9525.00 249.20 o
-4 -2 1 168.13 157.34 11.24 o
-3 -2 1 8567.13 9340.82 239.53 o
-2 -2 1 4536.21 4782.49 123.66 o
-1 -2 1 1644.69 1671.96 47.29 o
0 -2 1 5403.58 5574.15 204.06 o
1 -2 1 28131.94 18272.93 664.19 o
2 -2 1 1555.43 1492.21 50.18 o
3 -2 1 12335.11 13061.11 332.62 o
4 -2 1 5066.61 5395.53 143.21 o
5 -2 1 897.88 988.10 34.77 o
6 -2 1 2851.30 3025.10 126.07 o
7 -2 1 708.85 701.56 45.60 o
-7 -1 1 1127.47 1073.85 58.94 o
-6 -1 1 2007.32 2101.72 68.18 o
-5 -1 1 731.92 775.48 29.52 o
-4 -1 1 1167.90 1306.28 40.95 o
-3 -1 1 4538.12 5076.61 132.94 o
-2 -1 1 4436.12 4733.12 122.33 o
-1 -1 1 10713.56 10741.20 390.32 o
0 -1 1 15929.32 11019.24 402.24 o
1 -1 1 133.44 127.53 7.42 o
2 -1 1 5242.27 5405.65 168.33 o
3 -1 1 1571.60 1555.69 45.00 o
4 -1 1 5651.74 6138.33 162.00 o
5 -1 1 423.46 424.54 20.19 o
6 -1 1 5069.76 5395.12 148.53 o
7 -1 1 270.03 272.65 28.78 o
-7 0 1 1358.57 1469.73 73.94 o
-6 0 1 3404.78 3717.28 106.43 o
-5 0 1 1228.65 1352.37 44.34 o
-4 0 1 2858.43 3313.58 91.29 o
-3 0 1 6201.30 7209.08 186.26 o
-2 0 1 2910.71 3213.95 102.96 o
-1 0 1 807.79 879.80 33.89 o
2 0 1 3870.19 3903.17 107.87 o
3 0 1 358.05 345.64 14.59 o
4 0 1 6235.09 6812.36 178.91 o
5 0 1 3.96 3.76 10.17 o
6 0 1 6212.66 6441.00 174.91 o
7 0 1 4.02 -22.13 14.76 o
-7 1 1 889.11 903.03 54.24 o
-6 1 1 1445.64 1637.18 76.86 o
-5 1 1 803.70 870.15 31.76 o
-4 1 1 4469.77 5343.75 141.89 o
-3 1 1 5393.06 6414.75 237.38 o
-2 1 1 1595.39 1636.31 63.05 o
-1 1 1 9147.89 9182.98 341.03 o
0 1 1 10409.64 10174.74 371.27 o
1 1 1 100.25 87.60 8.19 o
2 1 1 7741.44 7585.63 194.26 o
3 1 1 457.12 411.38 37.19 o
4 1 1 7338.24 7717.15 201.57 o
5 1 1 359.86 373.24 25.25 o
6 1 1 2821.22 2970.14 87.76 o
7 1 1 0.35 12.89 16.94 o
-7 2 1 284.12 259.80 30.52 o
-6 2 1 2402.17 2558.94 110.70 o
-5 2 1 391.96 453.80 30.73 o
-4 2 1 4693.53 5396.40 198.47 o
-3 2 1 1535.40 1816.41 101.93 o
-2 2 1 12560.58 13799.38 501.56 o
-1 2 1 60.06 61.41 5.96 o
0 2 1 6015.37 6151.46 164.38 o
1 2 1 925.15 906.11 32.41 o
2 2 1 9366.40 9413.96 240.10 o
3 2 1 64.71 59.72 6.77 o
4 2 1 5691.95 6080.00 160.65 o
5 2 1 127.13 108.20 27.44 o
6 2 1 1418.95 1440.46 71.79 o
7 2 1 92.39 85.29 22.05 o
-7 3 1 63.53 15.61 18.24 o
-6 3 1 1863.04 2149.07 96.88 o
-5 3 1 278.02 282.66 25.62 o
-4 3 1 10063.80 11940.83 341.92 o
-3 3 1 228.68 260.85 21.79 o
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-1 3 1 4.20 -2.60 1.73 o
0 3 1 15758.23 15119.37 398.46 o
1 3 1 425.37 454.25 22.98 o
2 3 1 26323.79 25816.82 937.44 o
3 3 1 94.44 94.28 7.75 o
4 3 1 8145.42 8676.05 225.81 o
5 3 1 550.67 546.39 35.71 o
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-7 4 1 8.18 -4.90 16.42 o
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1 4 1 593.49 576.48 24.24 o
2 4 1 2667.34 2242.71 102.68 o
3 4 1 211.05 184.83 19.68 o
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5 4 1 490.73 492.92 34.50 o
6 4 1 1069.84 1148.64 62.87 o
-7 5 1 35.49 23.75 17.51 o
-6 5 1 3077.68 3167.18 133.93 o
-5 5 1 42.91 40.58 14.39 o
-4 5 1 3122.50 3449.93 135.80 o
-3 5 1 80.92 96.48 13.50 o
-2 5 1 13598.96 14304.42 506.62 o
-1 5 1 139.57 136.95 5.96 o
0 5 1 5464.85 5654.58 122.58 o
1 5 1 3585.10 3862.54 110.62 o
2 5 1 5455.82 5333.65 490.79 o
3 5 1 1260.65 1248.07 58.82 o
4 5 1 4331.43 4365.44 175.12 o
5 5 1 1463.70 1397.90 70.90 o
6 5 1 1254.25 1201.98 66.03 o
-6 6 1 2028.80 2217.82 100.89 o
-5 6 1 168.82 177.83 22.78 o
-4 6 1 3717.76 4126.15 159.96 o
-3 6 1 1451.67 1544.19 65.91 o
-2 6 1 7016.14 7455.73 268.92 o
-1 6 1 5073.29 5316.62 115.45 o
0 6 1 4223.87 4335.50 96.05 o
1 6 1 4515.87 4655.88 177.55 o
2 6 1 3535.74 3604.95 106.80 o
3 6 1 760.77 757.34 41.75 o
4 6 1 2756.24 2915.45 124.37 o
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6 6 1 1196.41 1213.29 67.45 o
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-4 7 1 2365.71 2617.31 107.83 o
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