#------------------------------------------------------------------------------
#$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $
#$Revision: 717 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221414.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_2221414_Fobs
loop_
_publ_author_name
'Zhao, Li'
'Lin, Jian-Li'
'Xu, Wei'
'Xie, Hong-Zhen'
_publ_section_title
;
 A chiral three-dimensional network in
 poly[\m-4,4'-bipyridine-di-\m-formato-cadmium(II)]
;
_journal_coeditor_code           JH2074
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m433
_journal_page_last               m434
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           98
_symmetry_space_group_name_Hall  'I 4bw 2bw'
_symmetry_space_group_name_H-M   'I 41 2 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.2269
_cell_length_b                   8.2269
_cell_length_c                   18.1025
_exptl_crystal_F_000             704.00
_reflns_d_resolution_high        0.7697
_[local]_cod_data_source_file    jh2074Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' xyh in I4(1)22'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            197.65
_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'
'-y, x+1/2, z+1/4'
'y+1/2, -x, z+3/4'
'-x+1/2, y, -z+3/4'
'x, -y+1/2, -z+1/4'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1, z+1'
'-y+1/2, x+1, z+3/4'
'y+1, -x+1/2, z+5/4'
'-x+1, y+1/2, -z+5/4'
'x+1/2, -y+1, -z+3/4'
'y+1, x+1, -z+1'
'-y+1/2, -x+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 1 0 768.27 681.10 23.21 o
0 2 0 7029.09 6971.12 158.25 o
2 2 0 18825.79 17722.45 116.87 o
1 3 0 359.49 382.41 6.75 o
3 3 0 672.46 673.22 21.15 o
0 4 0 8630.90 8462.18 209.87 o
2 4 0 22252.89 21634.94 129.68 o
4 4 0 21639.83 20394.39 192.21 o
1 5 0 663.87 675.90 23.15 o
3 5 0 94.17 85.70 3.39 o
5 5 0 0.78 11.12 4.03 o
0 6 0 17984.39 17957.49 611.35 o
2 6 0 3177.62 3443.36 103.57 o
4 6 0 2717.90 2751.64 61.67 o
6 6 0 9488.86 9638.50 183.05 o
1 7 0 916.88 968.10 22.98 o
3 7 0 153.69 158.30 9.48 o
5 7 0 0.90 15.59 3.24 o
7 7 0 11.22 23.88 5.89 o
0 8 0 3153.77 3105.26 93.21 o
2 8 0 5115.36 5141.50 98.01 o
4 8 0 2888.50 3040.39 77.63 o
6 8 0 2590.95 2574.25 80.48 o
1 9 0 36.28 48.70 5.08 o
3 9 0 243.96 229.09 7.30 o
5 9 0 6.54 18.16 4.50 o
0 10 0 1166.74 1150.31 33.99 o
2 10 0 2243.23 2199.71 66.18 o
0 1 1 14919.45 14436.84 136.71 o
-1 2 1 13468.94 13358.82 81.96 o
1 2 1 12601.41 12433.56 386.49 o
-2 3 1 19955.61 19796.13 103.08 o
0 3 1 639.90 593.93 13.80 o
2 3 1 20215.71 19153.10 157.48 o
-3 4 1 9622.60 9114.45 156.07 o
-1 4 1 5034.87 4592.51 81.94 o
1 4 1 4831.07 4514.23 68.76 o
3 4 1 9814.39 9630.61 119.05 o
-4 5 1 3193.13 3138.63 60.40 o
-2 5 1 5326.02 5114.14 188.83 o
0 5 1 7025.56 7226.75 59.50 o
2 5 1 5232.34 4895.44 271.96 o
4 5 1 3419.29 3314.78 61.48 o
-5 6 1 3991.07 3727.44 76.36 o
-3 6 1 2959.30 2918.42 60.82 o
-1 6 1 6663.00 6809.01 98.10 o
1 6 1 6802.21 7022.45 79.86 o
3 6 1 2920.22 2845.91 59.65 o
5 6 1 3803.68 3670.35 75.24 o
-6 7 1 1745.85 1708.18 49.11 o
-4 7 1 1500.82 1591.48 52.18 o
-2 7 1 5441.50 5273.19 88.45 o
0 7 1 4742.76 4747.30 62.55 o
2 7 1 5499.46 5309.40 349.47 o
4 7 1 1467.72 1448.68 67.10 o
6 7 1 1722.84 1753.01 49.79 o
-7 8 1 1209.63 1154.24 65.36 o
-5 8 1 947.69 982.71 28.56 o
-3 8 1 1906.94 1970.70 63.47 o
-1 8 1 4107.93 4018.17 60.60 o
1 8 1 3940.70 3825.89 59.79 o
3 8 1 1941.55 1994.17 62.98 o
5 8 1 1048.86 1005.22 28.36 o
7 8 1 1184.02 1130.67 33.76 o
-4 9 1 1670.57 1711.98 43.75 o
-2 9 1 1529.50 1550.24 41.20 o
0 9 1 1606.01 1637.06 30.08 o
2 9 1 1597.33 1629.26 44.48 o
4 9 1 1589.03 1454.97 40.00 o
-3 10 1 1155.22 1125.97 36.18 o
-1 10 1 1086.03 1121.68 43.54 o
1 10 1 1057.77 1067.39 27.08 o
3 10 1 1180.63 1257.32 36.79 o
0 2 2 2696.51 2600.80 119.93 o
2 2 2 2620.58 2526.28 48.95 o
-1 3 2 19894.47 19444.85 140.04 o
1 3 2 19691.36 19176.31 765.94 o
3 3 2 14331.02 13782.36 134.97 o
-2 4 2 1371.41 1515.09 49.06 o
0 4 2 381.07 420.10 34.83 o
2 4 2 1372.88 1441.72 47.21 o
4 4 2 65.76 81.00 4.80 o
-3 5 2 8442.84 8390.41 128.10 o
-1 5 2 14370.64 14259.96 133.12 o
1 5 2 14423.43 13966.02 265.03 o
3 5 2 8546.57 8370.57 125.70 o
5 5 2 10154.58 10088.88 162.55 o
-4 6 2 229.49 268.74 12.43 o
-2 6 2 1174.94 1198.16 53.75 o
0 6 2 23.24 30.50 9.59 o
2 6 2 1173.15 1243.63 56.91 o
4 6 2 233.29 247.37 9.92 o
6 6 2 234.41 205.84 10.47 o
-5 7 2 2858.32 2984.29 106.19 o
-3 7 2 5375.70 5121.90 125.59 o
-1 7 2 3586.32 3589.74 71.70 o
1 7 2 3613.26 3663.54 75.96 o
3 7 2 5223.97 5027.16 122.87 o
5 7 2 2925.82 2886.93 105.21 o
7 7 2 3257.51 3022.44 123.96 o
-6 8 2 18.00 6.00 6.43 o
-4 8 2 26.43 36.30 6.00 o
-2 8 2 635.50 629.61 27.26 o
0 8 2 10.84 35.63 19.02 o
2 8 2 635.48 668.64 25.08 o
4 8 2 26.25 24.97 5.45 o
6 8 2 15.56 24.75 6.43 o
-5 9 2 3078.71 3123.62 130.50 o
-3 9 2 2473.87 2578.72 112.08 o
-1 9 2 3742.00 3947.38 92.40 o
1 9 2 3854.11 3848.33 96.36 o
3 9 2 2442.73 2443.42 109.35 o
5 9 2 3108.68 2985.70 132.79 o
-2 10 2 18.69 24.64 6.21 o
0 10 2 0.16 3.37 3.89 o
2 10 2 18.92 28.67 10.03 o
0 1 3 6937.23 6977.64 82.41 o
-1 2 3 12046.55 11554.58 333.88 o
1 2 3 11606.47 11577.58 446.12 o
-2 3 3 16739.83 16852.23 144.35 o
0 3 3 4743.41 4683.03 159.23 o
2 3 3 16490.29 16261.11 144.46 o
-3 4 3 6759.34 6688.56 108.48 o
-1 4 3 5317.05 5319.28 60.36 o
1 4 3 5631.11 5724.18 294.85 o
3 4 3 6793.63 6873.46 108.48 o
-4 5 3 3511.51 3454.50 92.23 o
-2 5 3 2883.76 2871.23 75.23 o
0 5 3 8988.07 9316.13 89.21 o
2 5 3 2702.31 2634.65 73.15 o
4 5 3 3603.39 3475.98 89.40 o
-5 6 3 2815.58 2673.13 96.70 o
-3 6 3 3184.72 3108.35 89.83 o
-1 6 3 6947.84 6885.96 124.40 o
1 6 3 6910.62 6922.97 91.15 o
3 6 3 3302.44 3236.67 89.62 o
5 6 3 2956.98 2704.10 95.50 o
-6 7 3 1250.25 1246.13 49.61 o
-4 7 3 2918.37 2851.06 101.17 o
-2 7 3 4864.16 4931.44 121.12 o
0 7 3 4551.62 4548.25 81.56 o
2 7 3 4802.13 4927.40 120.91 o
4 7 3 2888.94 2771.47 96.16 o
6 7 3 1258.23 1254.42 50.70 o
-5 8 3 1076.18 1089.14 46.33 o
-3 8 3 2734.33 2641.08 101.61 o
-1 8 3 2345.97 2378.13 66.02 o
1 8 3 2397.23 2534.74 70.34 o
3 8 3 2612.21 2417.26 94.20 o
5 8 3 1097.08 997.02 37.72 o
-4 9 3 1143.34 1141.47 47.97 o
-2 9 3 1538.33 1539.19 60.07 o
0 9 3 1300.91 1317.63 36.16 o
2 9 3 1544.68 1483.80 54.95 o
4 9 3 1216.44 1180.83 48.08 o
-3 10 3 994.35 1015.77 38.81 o
-1 10 3 1501.65 1594.46 44.42 o
1 10 3 1563.57 1555.50 65.14 o
3 10 3 964.85 1010.75 41.10 o
1 1 4 19482.56 19976.30 319.85 o
0 2 4 21574.44 21431.96 997.45 o
2 2 4 24417.32 23643.49 168.11 o
-1 3 4 510.72 582.96 36.41 o
1 3 4 510.03 616.76 62.14 o
3 3 4 2.33 22.35 3.27 o
-2 4 4 10308.97 10451.71 132.14 o
0 4 4 23587.42 23877.13 858.61 o
2 4 4 10429.85 10777.03 140.31 o
4 4 4 11597.75 11415.04 156.56 o
-3 5 4 132.66 130.28 6.32 o
-1 5 4 334.27 328.74 23.60 o
1 5 4 334.77 312.97 8.69 o
3 5 4 137.49 111.64 6.00 o
5 5 4 1509.36 1495.90 67.70 o
-4 6 4 6387.64 6096.46 135.30 o
-2 6 4 3989.84 4348.06 104.44 o
0 6 4 10685.73 10738.63 256.15 o
2 6 4 4048.40 4028.18 102.70 o
4 6 4 6252.33 5856.50 130.28 o
6 6 4 3987.00 3984.46 123.20 o
-5 7 4 110.89 118.51 7.20 o
-3 7 4 122.20 137.15 6.87 o
-1 7 4 431.67 436.15 12.94 o
1 7 4 431.11 439.06 22.57 o
3 7 4 119.05 146.42 8.18 o
5 7 4 110.70 114.69 7.09 o
7 7 4 11.63 21.15 6.32 o
-6 8 4 2417.76 2549.28 80.68 o
-4 8 4 3937.37 3993.08 129.19 o
-2 8 4 4267.58 4491.20 128.21 o
0 8 4 1818.73 1745.76 58.57 o
2 8 4 4294.12 4294.42 123.96 o
4 8 4 3953.80 3803.70 126.36 o
6 8 4 2467.42 2469.48 78.39 o
-5 9 4 176.95 233.09 11.67 o
-3 9 4 4.13 7.30 6.00 o
-1 9 4 28.21 36.15 4.28 o
1 9 4 29.04 37.73 6.32 o
3 9 4 4.00 3.05 4.91 o
5 9 4 177.73 167.68 9.27 o
-2 10 4 2033.03 1996.10 74.14 o
0 10 4 2392.57 2309.77 88.58 o
2 10 4 2021.58 1931.02 72.06 o
0 1 5 76.01 99.50 4.00 o
-1 2 5 19737.80 19389.43 465.91 o
1 2 5 20105.69 19759.39 1393.37 o
-2 3 5 8505.55 8818.54 114.58 o
0 3 5 13153.92 13519.35 283.08 o
2 3 5 8616.36 8341.35 117.85 o
-3 4 5 1405.67 1342.29 56.47 o
-1 4 5 8591.23 8780.92 83.50 o
1 4 5 8253.41 8349.64 519.93 o
3 4 5 1320.85 1271.86 54.08 o
-4 5 5 3931.78 3927.88 104.01 o
-2 5 5 4652.18 4693.22 101.39 o
0 5 5 8127.43 8296.29 88.92 o
2 5 5 4827.69 4873.11 109.46 o
4 5 5 3953.32 4159.45 105.75 o
-5 6 5 2133.52 2157.78 91.36 o
-3 6 5 6681.08 6544.43 132.03 o
-1 6 5 4173.52 4126.21 134.97 o
1 6 5 4054.24 4011.57 174.98 o
3 6 5 6646.80 6522.95 138.02 o
5 6 5 2105.27 2329.39 90.16 o
-6 7 5 520.23 533.12 20.28 o
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-2 7 5 4372.97 4512.35 121.89 o
0 7 5 1187.26 1259.17 34.51 o
2 7 5 4423.74 4234.67 125.81 o
4 7 5 3391.78 3261.42 108.70 o
6 7 5 481.87 499.54 16.57 o
-5 8 5 1228.91 1186.28 44.05 o
-3 8 5 2398.62 2287.41 99.97 o
-1 8 5 2419.81 2310.17 77.46 o
1 8 5 2301.16 2315.82 99.81 o
3 8 5 2530.11 2472.31 101.06 o
5 8 5 1168.39 1190.09 43.94 o
-4 9 5 840.30 842.86 28.78 o
-2 9 5 1394.83 1446.08 58.11 o
0 9 5 2934.84 2996.89 147.29 o
2 9 5 1329.09 1370.64 53.75 o
4 9 5 807.10 763.16 31.83 o
-3 10 5 410.77 449.94 23.99 o
-1 10 5 1791.07 1815.45 46.92 o
1 10 5 1751.06 1845.80 48.17 o
3 10 5 471.08 458.11 21.70 o
1 1 6 19648.13 19884.39 227.37 o
0 2 6 430.93 566.70 52.00 o
2 2 6 4042.42 4612.76 82.97 o
-1 3 6 28506.55 29024.18 355.03 o
1 3 6 28881.34 28598.52 1781.93 o
3 3 6 3475.69 3411.44 80.90 o
-2 4 6 394.96 394.77 15.05 o
0 4 6 22.85 52.12 26.44 o
2 4 6 398.70 407.96 16.68 o
4 4 6 612.20 612.16 21.70 o
-3 5 6 6585.95 6765.75 125.81 o
-1 5 6 10592.29 10841.96 105.46 o
1 5 6 10635.62 10858.40 149.52 o
3 5 6 6406.09 6673.08 133.77 o
5 5 6 7656.58 7707.05 160.05 o
-4 6 6 162.33 153.72 7.41 o
-2 6 6 75.48 108.80 6.32 o
0 6 6 20.75 35.56 12.59 o
2 6 6 78.45 72.72 6.43 o
4 6 6 155.73 149.14 7.74 o
6 6 6 268.38 278.23 11.99 o
-5 7 6 2742.08 2649.04 111.20 o
-3 7 6 8427.77 8311.91 168.88 o
-1 7 6 1709.91 1749.06 137.75 o
1 7 6 1765.80 1882.30 80.51 o
3 7 6 8413.40 8357.59 177.60 o
5 7 6 2777.76 2765.48 108.48 o
7 7 6 1720.01 1810.87 68.90 o
-6 8 6 119.00 112.73 8.72 o
-4 8 6 56.62 53.86 6.98 o
-2 8 6 11.58 22.46 5.34 o
0 8 6 98.15 98.63 4.62 o
2 8 6 11.76 6.00 5.78 o
4 8 6 59.07 48.08 6.43 o
6 8 6 118.05 103.68 8.94 o
-5 9 6 2602.92 2847.03 131.37 o
-3 9 6 1436.96 1462.11 56.36 o
-1 9 6 3579.12 3485.94 164.73 o
1 9 6 3635.10 3498.96 91.20 o
3 9 6 1422.74 1352.21 52.00 o
5 9 6 2582.99 2416.39 85.69 o
-2 10 6 11.19 10.03 6.00 o
0 10 6 97.80 111.96 6.87 o
2 10 6 10.09 11.23 5.56 o
0 1 7 9941.38 9741.03 53.97 o
-1 2 7 6280.95 6535.59 67.75 o
1 2 7 5710.47 5910.35 390.63 o
-2 3 7 7601.00 7995.96 119.71 o
0 3 7 8056.72 8092.90 209.71 o
2 3 7 7604.38 7287.97 121.23 o
-3 4 7 4232.80 4179.29 98.77 o
-1 4 7 9947.51 10163.67 337.92 o
1 4 7 10426.53 10940.55 387.74 o
3 4 7 4209.57 4343.80 105.10 o
-4 5 7 2179.02 2253.51 82.42 o
-2 5 7 5062.82 5309.64 115.89 o
0 5 7 5894.64 6192.53 111.09 o
2 5 7 4607.71 4461.11 112.73 o
4 5 7 2295.01 2312.70 86.13 o
-5 6 7 2567.17 2433.61 102.81 o
-3 6 7 3741.82 3779.50 109.24 o
-1 6 7 3099.56 3090.22 89.40 o
1 6 7 3102.25 3209.19 186.92 o
3 6 7 3915.06 4104.28 118.94 o
5 6 7 2575.51 2504.69 103.90 o
-6 7 7 1101.92 1105.49 44.26 o
-4 7 7 2364.71 2304.31 102.05 o
-2 7 7 4767.96 5003.83 132.46 o
0 7 7 2285.27 2247.00 95.99 o
2 7 7 4893.26 4714.04 137.37 o
4 7 7 2311.36 2384.44 104.88 o
6 7 7 1075.24 1117.70 43.61 o
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-3 8 7 2174.56 2129.76 101.61 o
-1 8 7 2514.96 2563.67 71.67 o
1 8 7 2359.98 2413.70 71.57 o
3 8 7 2152.78 2165.20 104.44 o
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-4 9 7 946.20 1027.00 43.28 o
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0 9 7 1237.68 1201.47 39.47 o
2 9 7 1240.73 1265.65 50.15 o
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-1 10 7 1406.79 1465.71 41.39 o
1 10 7 1411.66 1367.46 54.68 o
0 0 8 39066.80 39555.94 229.93 o
1 1 8 2088.06 2307.48 42.50 o
0 2 8 14551.07 14746.91 359.56 o
2 2 8 14066.37 13860.97 160.81 o
-1 3 8 166.33 199.43 5.63 o
1 3 8 165.23 199.53 11.50 o
3 3 8 549.60 612.71 25.51 o
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0 4 8 15530.37 16054.50 373.08 o
2 4 8 9558.25 9078.02 152.09 o
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-3 5 8 79.43 91.36 6.21 o
-1 5 8 295.09 296.57 9.19 o
1 5 8 296.15 319.82 12.81 o
3 5 8 82.73 107.93 7.20 o
5 5 8 351.53 350.29 15.15 o
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0 6 8 3706.85 3993.77 83.73 o
2 6 8 4813.82 4560.65 125.92 o
4 6 8 4815.89 4679.16 137.26 o
6 6 8 3523.57 3457.34 131.59 o
-5 7 8 15.68 22.57 5.67 o
-3 7 8 74.23 57.67 6.54 o
-1 7 8 395.41 402.38 36.58 o
1 7 8 394.89 426.78 21.91 o
3 7 8 70.99 76.32 8.29 o
5 7 8 14.54 24.31 6.98 o
7 7 8 24.38 41.97 7.41 o
-6 8 8 2128.23 2157.02 77.08 o
-4 8 8 2349.02 2582.65 112.18 o
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0 8 8 2578.51 2487.09 72.13 o
2 8 8 3638.94 3585.11 137.70 o
4 8 8 2356.54 2404.28 78.17 o
6 8 8 2175.77 2206.08 82.09 o
-3 9 8 32.06 37.07 7.63 o
-1 9 8 22.10 25.22 4.81 o
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3 9 8 33.24 31.51 8.39 o
0 10 8 2190.13 2098.47 164.52 o
0 1 9 4768.50 4906.58 44.33 o
-1 2 9 6772.25 6710.08 77.16 o
1 2 9 6505.84 6412.43 278.88 o
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2 3 9 5548.88 5401.98 110.88 o
-3 4 9 2104.02 2260.26 81.11 o
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3 4 9 2134.93 2268.33 83.84 o
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0 5 9 3627.71 3617.10 107.71 o
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-1 6 9 2913.87 2935.21 67.70 o
1 6 9 2968.45 3100.99 89.24 o
3 6 9 3599.26 3433.13 121.34 o
5 6 9 1924.24 1931.12 95.18 o
-6 7 9 800.34 795.87 38.16 o
-4 7 9 1180.76 1230.11 47.10 o
-2 7 9 3087.56 3076.96 112.95 o
0 7 9 1323.37 1365.06 35.98 o
2 7 9 3076.02 2940.46 118.40 o
4 7 9 1192.18 1215.06 46.12 o
6 7 9 754.05 743.65 28.89 o
-5 8 9 607.52 573.79 25.95 o
-3 8 9 1516.95 1625.21 61.49 o
-1 8 9 2253.57 2189.96 73.02 o
1 8 9 2174.15 2079.96 155.79 o
3 8 9 1511.55 1416.54 53.42 o
5 8 9 626.24 595.05 22.35 o
-4 9 9 791.24 759.24 27.04 o
-2 9 9 1127.15 1242.32 49.39 o
0 9 9 2476.75 2583.54 80.95 o
2 9 9 1164.47 1182.14 50.70 o
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1 1 10 19565.21 19486.14 148.42 o
0 2 10 1491.58 1532.01 56.69 o
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-1 3 10 7635.97 7792.60 102.37 o
1 3 10 7620.14 7889.33 274.25 o
3 3 10 13793.14 14009.24 192.43 o
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0 4 10 152.99 172.80 9.54 o
2 4 10 133.41 118.62 6.76 o
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