#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:17:04 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180843 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/74/2017444.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_2017444_Fobs
loop_
_publ_author_name
'\,Sahin, Zarife Sibel'
'\.I\,cbudak, Hasan'
'I\,s\?ik, \,Samil'
_publ_section_title
;
Di-\m-acesulfamato-\k^3^N,O:O;\k^3^O:N,O-bis[(acesulfamato-\k^2^N,O)bis(3-methylpyridine)cadmium(II)]
;
_journal_coeditor_code LG3020
_journal_issue 12
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first m463
_journal_page_last m465
_journal_volume 65
_journal_year 2009
_space_group_IT_number 15
_symmetry_space_group_name_Hall '-C 2yc'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_cell_angle_alpha 90.000
_cell_angle_beta 108.427
_cell_angle_gamma 90.000
_cell_length_a 14.9475
_cell_length_b 16.5004
_cell_length_c 21.4067
_exptl_crystal_F_000 2512.00
_reflns_d_resolution_high 0.8108
_cod_data_source_file lg3020Isup2.hkl
_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' TEST STRUCTURE C:\DATA\FIZIK\SAMIL\HS4\HS4'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 1078.37
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -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
2 0 0 79839.06 80568.16 1598.63 o
4 0 0 346732.78 329393.66 8619.14 o
6 0 0 469.24 339.34 77.23 o
8 0 0 29912.69 30168.08 181.63 o
10 0 0 3089.27 2999.38 85.87 o
12 0 0 39815.67 40314.46 1872.14 o
14 0 0 0.49 191.15 102.10 o
16 0 0 5181.58 5156.67 361.10 o
1 1 0 109209.73 112986.99 1171.60 o
3 1 0 27259.49 27536.98 127.31 o
5 1 0 142005.56 142325.64 1289.98 o
7 1 0 20359.54 20516.04 238.55 o
9 1 0 11877.09 11769.69 100.10 o
11 1 0 10694.74 10421.12 88.11 o
13 1 0 2347.79 2396.54 67.56 o
15 1 0 400.98 411.16 65.16 o
17 1 0 846.63 745.18 82.37 o
0 2 0 1719.35 2993.78 146.66 o
2 2 0 40.56 114.47 79.39 o
4 2 0 742.26 716.86 66.33 o
6 2 0 78.65 86.85 54.56 o
8 2 0 468.48 570.81 109.72 o
10 2 0 546.19 562.63 82.83 o
12 2 0 69.14 9.69 95.00 o
14 2 0 49.07 46.19 64.74 o
16 2 0 0.10 -17.99 65.75 o
1 3 0 51867.98 52739.20 620.17 o
3 3 0 21948.76 22728.02 201.04 o
5 3 0 15437.00 14653.01 93.69 o
7 3 0 6853.65 6723.63 138.37 o
9 3 0 6021.17 6307.88 104.78 o
11 3 0 5091.27 5417.46 82.30 o
13 3 0 1627.76 1651.78 64.60 o
15 3 0 244.41 304.16 69.19 o
17 3 0 678.28 645.95 71.89 o
0 4 0 1162889.63 1045655.00 29086.92 o
2 4 0 65651.56 65216.50 830.58 o
4 4 0 55176.71 53349.77 607.68 o
6 4 0 1078.39 1170.26 62.77 o
8 4 0 21891.80 21510.43 491.63 o
10 4 0 655.85 737.34 88.67 o
12 4 0 29768.21 30435.99 549.25 o
14 4 0 81.12 121.91 65.55 o
16 4 0 3550.78 3244.65 215.93 o
1 5 0 18887.51 18358.68 170.01 o
3 5 0 20473.17 20592.05 201.31 o
5 5 0 47546.20 46763.08 822.90 o
7 5 0 31114.67 32271.35 327.78 o
9 5 0 3913.21 3799.12 96.62 o
11 5 0 8970.29 8582.67 276.88 o
13 5 0 1857.86 2007.46 119.54 o
15 5 0 571.61 451.02 67.58 o
0 6 0 7.07 1371.65 194.52 o
2 6 0 194.93 219.38 63.49 o
4 6 0 8.60 1946.60 885.52 o
6 6 0 122.78 110.64 84.16 o
8 6 0 2179.41 2214.29 95.53 o
10 6 0 102.33 19.42 93.85 o
12 6 0 7.13 -115.79 119.12 o
14 6 0 80.42 137.40 77.48 o
16 6 0 48.82 75.99 72.52 o
1 7 0 66822.34 65938.37 599.23 o
3 7 0 22131.43 23314.49 168.24 o
5 7 0 13620.08 14408.82 790.64 o
7 7 0 6000.68 5896.50 106.67 o
9 7 0 7538.68 7807.74 157.98 o
11 7 0 3699.67 3869.89 157.84 o
13 7 0 881.48 879.13 81.21 o
15 7 0 136.99 199.25 85.01 o
0 8 0 227749.94 222555.08 6373.01 o
2 8 0 12107.86 11664.06 101.45 o
4 8 0 43295.99 41795.22 1037.08 o
6 8 0 23.57 134.74 96.48 o
8 8 0 18190.08 18413.19 615.81 o
10 8 0 2044.07 2047.22 144.55 o
12 8 0 18627.98 18456.37 127.03 o
14 8 0 229.18 319.19 97.95 o
16 8 0 2280.64 2053.02 87.20 o
1 9 0 8083.71 7362.93 93.04 o
3 9 0 8236.61 8541.47 87.95 o
5 9 0 28066.62 27957.78 376.58 o
7 9 0 22475.73 23332.69 259.58 o
9 9 0 6149.73 6409.72 160.81 o
11 9 0 2648.73 2653.85 129.85 o
13 9 0 1467.89 1441.35 85.89 o
15 9 0 63.63 98.03 102.22 o
0 10 0 2445.98 4802.08 1608.30 o
2 10 0 399.80 373.62 74.98 o
4 10 0 29.89 1670.49 431.29 o
6 10 0 290.88 372.53 76.65 o
8 10 0 29.86 159.29 78.21 o
10 10 0 6.98 -0.75 76.59 o
12 10 0 7.01 -40.22 93.33 o
14 10 0 49.61 108.07 83.98 o
1 11 0 13609.21 13295.92 307.90 o
3 11 0 9446.99 9373.43 113.39 o
5 11 0 2160.03 2542.07 324.84 o
7 11 0 2715.49 2800.34 87.31 o
9 11 0 2693.99 2862.00 85.63 o
11 11 0 2472.67 2504.71 88.33 o
13 11 0 194.69 191.20 89.26 o
0 12 0 69963.06 67595.80 296.62 o
2 12 0 579.45 497.04 78.23 o
4 12 0 24716.55 25088.58 149.19 o
6 12 0 237.33 278.56 82.13 o
8 12 0 3794.04 3978.04 88.61 o
10 12 0 1.35 145.64 79.45 o
12 12 0 5703.27 5280.04 99.51 o
14 12 0 24.95 125.39 88.69 o
1 13 0 9857.85 10198.66 123.05 o
3 13 0 3160.09 3253.06 88.92 o
5 13 0 15080.67 14641.66 187.74 o
7 13 0 6308.24 6247.19 125.41 o
9 13 0 4715.28 4942.79 98.26 o
11 13 0 873.29 901.77 91.79 o
13 13 0 1088.76 1048.83 126.89 o
0 14 0 3887.02 3560.50 156.91 o
2 14 0 437.22 418.08 82.72 o
4 14 0 907.90 1663.91 327.25 o
6 14 0 110.20 204.24 82.10 o
8 14 0 166.71 319.36 106.94 o
10 14 0 2.44 141.57 88.05 o
12 14 0 38.69 133.26 97.59 o
1 15 0 3109.71 3031.68 112.28 o
3 15 0 3931.94 3880.46 95.30 o
5 15 0 458.83 674.34 123.23 o
7 15 0 806.15 956.80 91.31 o
9 15 0 875.49 898.11 96.67 o
11 15 0 492.33 594.75 110.04 o
0 16 0 18521.61 18359.21 213.87 o
2 16 0 21.33 63.29 110.47 o
4 16 0 10638.02 10973.61 143.47 o
6 16 0 0.11 -30.98 88.38 o
8 16 0 2298.75 2294.10 103.00 o
10 16 0 46.75 133.14 95.05 o
1 17 0 3190.10 3061.62 125.14 o
3 17 0 1278.89 1360.87 109.36 o
5 17 0 2745.85 2470.06 102.09 o
7 17 0 1408.14 1452.59 99.33 o
9 17 0 667.27 638.72 105.68 o
0 18 0 429.18 509.41 166.58 o
2 18 0 36.99 68.37 94.85 o
4 18 0 174.95 276.67 119.80 o
6 18 0 14.42 37.26 101.33 o
8 18 0 117.30 198.99 110.01 o
1 19 0 469.27 508.93 130.47 o
3 19 0 571.19 671.01 122.43 o
5 19 0 77.71 159.58 106.48 o
0 20 0 2637.76 2177.36 195.60 o
2 20 0 24.62 67.60 109.75 o
-17 1 1 1328.80 1317.20 118.51 o
-15 1 1 798.83 875.25 76.16 o
-13 1 1 3599.34 3512.65 103.32 o
-11 1 1 1128.09 1144.57 60.71 o
-9 1 1 139.81 121.44 98.87 o
-7 1 1 31141.43 30739.11 311.02 o
-5 1 1 23334.10 23512.44 272.70 o
-3 1 1 51346.57 53094.59 479.01 o
-1 1 1 55854.95 59055.38 1036.02 o
1 1 1 78570.53 79768.20 1900.27 o
3 1 1 4119.33 4285.67 81.54 o
5 1 1 46235.85 45736.14 440.54 o
7 1 1 5749.20 5692.83 81.90 o
9 1 1 12753.68 13370.56 226.17 o
11 1 1 7961.67 8093.78 156.52 o
13 1 1 2430.23 2491.72 67.02 o
15 1 1 3.01 -15.46 65.31 o
17 1 1 797.81 657.48 72.49 o
-16 2 1 1219.13 1236.85 77.41 o
-14 2 1 7.57 78.73 63.12 o
-12 2 1 21084.37 21434.89 133.78 o
-10 2 1 41.16 46.75 81.31 o
-8 2 1 34158.46 33535.96 663.36 o
-6 2 1 2543.15 2968.07 62.35 o
-4 2 1 5838.35 5901.77 79.50 o
-2 2 1 126818.09 130560.03 995.60 o
0 2 1 181890.64 198768.58 3718.39 o
2 2 1 9573.63 9987.93 118.98 o
4 2 1 98765.55 93860.84 826.95 o
6 2 1 1893.78 1885.27 67.47 o
8 2 1 26929.02 25794.41 289.04 o
10 2 1 8696.52 9260.96 198.80 o
12 2 1 16573.45 17481.16 361.48 o
14 2 1 1351.32 1564.63 68.50 o
16 2 1 4314.11 4077.34 288.52 o
-17 3 1 722.09 648.43 73.59 o
-15 3 1 483.23 481.26 68.87 o
-13 3 1 3446.96 3681.16 94.47 o
-11 3 1 1290.24 1194.72 87.77 o
-9 3 1 63.48 43.45 80.93 o
-7 3 1 58735.05 56662.45 930.32 o
-5 3 1 5621.67 5557.16 69.79 o
-3 3 1 22280.59 22421.83 141.78 o
-1 3 1 25201.18 26987.23 305.66 o
1 3 1 42496.40 41588.54 665.00 o
3 3 1 176.41 93.45 78.28 o
5 3 1 79348.62 75554.49 754.06 o
7 3 1 3626.66 3824.41 73.62 o
9 3 1 20018.15 20167.33 257.51 o
11 3 1 4241.53 4527.01 119.23 o
13 3 1 1778.81 1796.31 66.35 o
15 3 1 4.58 22.24 66.10 o
17 3 1 433.44 413.04 72.83 o
-16 4 1 3.71 27.08 67.29 o
-14 4 1 69.93 77.21 78.05 o
-12 4 1 109.53 8.72 84.83 o
-10 4 1 32.83 178.57 83.58 o
-8 4 1 534.77 447.25 89.00 o
-6 4 1 2174.12 2034.93 62.27 o
-4 4 1 91.65 247.61 63.37 o
-2 4 1 8085.22 8660.90 147.72 o
0 4 1 9532.79 10672.16 203.98 o
2 4 1 9677.93 9481.94 107.32 o
4 4 1 33.21 9.90 72.06 o
6 4 1 933.57 813.61 57.49 o
8 4 1 162.77 224.75 64.14 o
10 4 1 11.18 90.28 67.41 o
12 4 1 177.12 138.67 83.84 o
14 4 1 85.51 112.00 65.02 o
16 4 1 34.27 3.11 74.82 o
-17 5 1 497.53 498.17 76.94 o
-15 5 1 494.72 470.60 69.82 o
-13 5 1 1700.15 1826.19 80.90 o
-11 5 1 1100.03 1008.40 92.70 o
-9 5 1 12.96 24.62 87.47 o
-7 5 1 6533.41 6430.70 133.26 o
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1 5 1 15268.78 15908.96 232.53 o
3 5 1 5778.60 6302.35 74.77 o
5 5 1 13862.08 13422.53 246.10 o
7 5 1 7637.43 7607.82 104.57 o
9 5 1 4301.11 4386.24 138.39 o
11 5 1 7198.47 7263.12 84.51 o
13 5 1 766.29 832.21 79.69 o
15 5 1 93.98 99.14 68.94 o
-16 6 1 1285.13 1136.70 73.73 o
-14 6 1 16.39 175.43 93.53 o
-12 6 1 12576.99 13091.12 272.59 o
-10 6 1 247.69 416.01 99.95 o
-8 6 1 24925.18 26378.38 337.46 o
-6 6 1 24.43 146.31 82.63 o
-4 6 1 63407.13 65279.10 748.51 o
-2 6 1 2872.63 2487.60 70.83 o
0 6 1 336067.97 330206.91 5111.68 o
2 6 1 5062.15 6376.30 93.38 o
4 6 1 79140.77 76805.91 1060.56 o
6 6 1 4118.54 4167.34 93.95 o
8 6 1 15381.27 16388.20 174.10 o
10 6 1 5003.54 5266.71 108.82 o
12 6 1 10309.16 10518.10 304.72 o
14 6 1 893.77 1040.72 82.96 o
16 6 1 2955.39 2429.97 219.81 o
-15 7 1 474.05 535.74 93.09 o
-13 7 1 3630.81 3624.42 97.15 o
-11 7 1 1009.91 989.34 75.63 o
-9 7 1 678.04 675.99 132.19 o
-7 7 1 27950.98 27328.70 1068.26 o
-5 7 1 14981.64 15437.20 278.36 o
-3 7 1 32885.33 33722.55 484.99 o
-1 7 1 47621.46 50319.54 757.92 o
1 7 1 97535.74 98448.66 1168.06 o
3 7 1 13451.78 14088.81 243.06 o
5 7 1 75428.84 74709.90 1648.94 o
7 7 1 8259.91 8758.74 110.52 o
9 7 1 15180.16 15377.14 559.38 o
11 7 1 3935.63 4095.51 255.78 o
13 7 1 2185.69 2010.86 115.28 o
15 7 1 23.50 43.97 71.14 o
-16 8 1 67.71 52.99 89.85 o
-14 8 1 0.64 24.19 91.35 o
-12 8 1 68.41 -46.46 130.04 o
-10 8 1 1.74 81.68 135.41 o
-8 8 1 165.36 181.46 96.84 o
-6 8 1 370.81 404.24 73.03 o
-4 8 1 330.04 1840.49 795.03 o
-2 8 1 2.14 2.40 65.47 o
0 8 1 3320.53 3829.27 84.32 o
2 8 1 5475.42 5327.27 83.96 o
4 8 1 99.41 1032.54 550.13 o
6 8 1 1651.53 1617.96 96.39 o
8 8 1 565.69 481.15 95.31 o
10 8 1 190.92 370.01 85.73 o
12 8 1 70.73 136.01 95.27 o
14 8 1 22.88 40.08 98.30 o
-15 9 1 105.32 156.46 108.18 o
-13 9 1 1675.84 1606.96 138.64 o
-11 9 1 2539.73 2546.20 78.55 o
-9 9 1 565.82 709.28 96.11 o
-7 9 1 9400.42 9243.64 173.03 o
-5 9 1 1092.92 1380.34 265.82 o
-3 9 1 14805.29 14502.76 89.76 o
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1 9 1 3116.02 3487.25 138.99 o
3 9 1 2364.89 2394.38 75.23 o
5 9 1 12027.06 12539.19 99.74 o
7 9 1 167.24 106.73 75.38 o
9 9 1 9247.91 9010.00 246.30 o
11 9 1 1373.62 1404.44 101.28 o
13 9 1 1126.91 1154.37 82.67 o
15 9 1 147.99 250.01 89.07 o
-14 10 1 40.36 8.65 82.55 o
-12 10 1 6574.36 6577.31 95.94 o
-10 10 1 520.43 535.17 106.38 o
-8 10 1 10549.55 10258.32 112.92 o
-6 10 1 4069.85 4225.52 86.65 o
-4 10 1 16076.25 16278.67 140.31 o
-2 10 1 4461.60 4206.71 87.34 o
0 10 1 72676.40 70008.34 217.12 o
2 10 1 6.77 86.85 62.03 o
4 10 1 39619.71 38628.42 312.39 o
6 10 1 1392.73 1501.20 76.59 o
8 10 1 8391.16 8653.49 132.24 o
10 10 1 1668.67 1642.76 81.08 o
12 10 1 3286.08 3247.30 88.63 o
14 10 1 281.84 342.38 86.72 o
-13 11 1 513.67 476.56 87.93 o
-11 11 1 1751.67 2098.40 115.39 o
-9 11 1 85.65 211.76 81.44 o
-7 11 1 11897.15 12055.44 104.85 o
-5 11 1 5551.49 5712.53 89.63 o
-3 11 1 14158.21 13933.21 216.75 o
-1 11 1 8920.55 8591.25 127.35 o
1 11 1 20630.17 20732.51 169.29 o
3 11 1 781.53 916.86 75.04 o
5 11 1 17640.42 17373.03 106.75 o
7 11 1 2468.94 2504.71 81.59 o
9 11 1 3954.07 3854.12 106.08 o
11 11 1 3832.17 3567.14 89.09 o
13 11 1 913.83 902.98 84.92 o
-14 12 1 61.93 152.20 96.45 o
-12 12 1 248.09 260.20 90.26 o
-10 12 1 1.54 158.86 84.08 o
-8 12 1 586.54 620.59 84.25 o
-6 12 1 179.76 246.75 77.59 o
-4 12 1 34.97 1568.13 862.99 o
-2 12 1 2723.13 2449.78 171.95 o
0 12 1 4026.32 4016.34 222.46 o
2 12 1 148.62 204.54 73.89 o
4 12 1 579.11 519.24 100.64 o
6 12 1 406.67 362.57 79.99 o
8 12 1 594.29 580.56 79.63 o
10 12 1 160.38 234.99 81.69 o
12 12 1 244.11 196.29 86.44 o
-13 13 1 613.10 545.32 97.52 o
-11 13 1 452.54 457.24 91.37 o
-9 13 1 755.39 939.66 98.62 o
-7 13 1 544.71 839.47 171.01 o
-5 13 1 363.21 950.17 309.83 o
-3 13 1 4759.96 5008.23 92.75 o
-1 13 1 4638.75 4502.31 112.83 o
1 13 1 2952.55 3169.11 133.70 o
3 13 1 1091.36 1169.30 80.84 o
5 13 1 2262.80 2509.35 89.38 o
7 13 1 4.67 32.39 82.03 o
9 13 1 1591.86 1721.76 90.03 o
11 13 1 118.16 160.01 88.82 o
13 13 1 466.87 450.36 93.99 o
-12 14 1 2803.48 2563.97 98.27 o
-10 14 1 653.98 777.97 110.67 o
-8 14 1 5672.72 5168.73 123.51 o
-6 14 1 746.72 957.29 89.68 o
-4 14 1 9382.23 9631.21 159.06 o
-2 14 1 342.91 400.29 105.76 o
0 14 1 15260.36 15760.91 134.62 o
2 14 1 496.45 577.83 81.62 o
4 14 1 13476.08 12995.47 230.52 o
6 14 1 1563.62 1555.27 89.73 o
8 14 1 6153.35 6402.12 145.89 o
10 14 1 949.30 864.15 91.49 o
12 14 1 1773.39 1585.88 98.38 o
-11 15 1 796.13 806.24 98.06 o
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-7 15 1 3674.61 3493.53 95.71 o
-5 15 1 2786.32 2902.25 93.59 o
-3 15 1 5729.20 5686.63 100.31 o
-1 15 1 2473.54 2412.03 109.48 o
1 15 1 7271.43 7011.92 100.29 o
3 15 1 1078.53 1123.34 87.07 o
5 15 1 6366.99 6144.20 99.63 o
7 15 1 1098.31 1118.92 90.60 o
9 15 1 2391.88 2168.79 100.90 o
11 15 1 569.59 468.27 97.50 o
-10 16 1 0.06 70.37 104.41 o
-8 16 1 342.43 496.91 129.03 o
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0 16 1 1901.86 1933.88 121.58 o
2 16 1 270.02 259.28 90.11 o
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6 16 1 154.06 111.58 88.58 o
8 16 1 94.86 201.19 95.97 o
10 16 1 96.02 66.87 97.50 o
-9 17 1 194.06 256.89 103.49 o
-7 17 1 199.65 252.94 98.56 o
-5 17 1 63.92 184.05 98.35 o
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-1 17 1 1228.25 1177.99 120.37 o
1 17 1 696.83 868.85 92.41 o
3 17 1 365.90 482.92 106.67 o
5 17 1 455.90 399.60 92.76 o
7 17 1 166.42 273.96 98.52 o
9 17 1 276.55 289.75 101.94 o
-8 18 1 780.51 833.03 110.83 o
-6 18 1 198.94 299.97 100.48 o
-4 18 1 1924.64 2017.09 104.36 o
-2 18 1 16.60 115.02 122.33 o
0 18 1 2323.15 2571.53 123.87 o
2 18 1 52.24 121.39 96.02 o
4 18 1 2487.14 2712.59 126.44 o
6 18 1 4.40 128.62 99.17 o
-5 19 1 563.83 573.92 110.56 o
-3 19 1 1291.80 1327.26 166.58 o
-1 19 1 704.94 736.22 130.72 o
1 19 1 1647.93 1614.85 104.62 o
3 19 1 413.34 372.47 121.12 o
5 19 1 1374.72 1253.73 106.36 o
-2 20 1 100.71 120.70 139.38 o
0 20 1 347.21 318.97 110.00 o
2 20 1 7.67 31.18 107.30 o
-16 0 2 708.67 584.92 99.17 o
-14 0 2 5.10 11.88 88.51 o
-12 0 2 2035.16 2142.96 128.96 o
-8 0 2 56991.66 59035.77 236.44 o
-6 0 2 814.36 1112.64 86.25 o
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0 0 2 97946.76 102787.11 4777.61 o
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6 0 2 10761.83 10648.00 111.77 o
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