#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/66/2216654.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_2216654_Fobs
loop_
_publ_author_name
'Zhai, Jun'
'Yin, Handong'
'Li, Feng'
'Wang, Daqi'
_publ_section_title
;
 Chloridobis(pyrrolidine-1-dithiocarboxylato-\k^2^<i>S</i>,<i>S</i>')antimony(III)
;
_journal_coeditor_code           LX2025
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2871
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.451
_cell_angle_beta                 91.950
_cell_angle_gamma                102.334
_cell_length_a                   6.3670
_cell_length_b                   10.3680
_cell_length_c                   13.4140
_exptl_crystal_F_000             444.00
_reflns_d_resolution_high        0.8409
_[local]_cod_data_source_file    lx2025Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 060620B IN P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            180.59
_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 13745.64 14706.84 188.28 o
2 0 0 2668.31 2858.77 49.64 o
3 0 0 4412.46 4406.23 75.73 o
4 0 0 2008.93 2008.89 49.34 o
5 0 0 673.76 617.97 29.31 o
-6 1 0 307.18 238.98 21.35 o
-5 1 0 84.03 72.71 13.67 o
-4 1 0 365.77 365.90 19.97 o
-3 1 0 272.31 218.10 13.82 o
-2 1 0 830.19 820.55 22.01 o
-1 1 0 992.76 1011.18 15.43 o
1 1 0 22.24 27.75 2.57 o
2 1 0 4033.63 4257.30 45.54 o
4 1 0 735.53 768.28 19.95 o
5 1 0 4.58 3.10 6.25 o
6 1 0 495.52 517.62 28.21 o
-6 2 0 906.22 857.92 28.00 o
-5 2 0 2517.37 2494.57 46.60 o
-4 2 0 2253.42 2224.65 40.00 o
-3 2 0 7899.88 8154.17 92.90 o
-2 2 0 5102.69 5213.40 46.41 o
-1 2 0 550.43 540.87 14.40 o
0 2 0 8482.47 8034.08 108.16 o
1 2 0 36.20 35.14 5.07 o
2 2 0 1293.61 1348.31 32.55 o
3 2 0 1445.10 1458.06 26.01 o
4 2 0 118.63 136.80 11.08 o
5 2 0 140.09 157.22 13.01 o
6 2 0 45.04 42.23 15.47 o
-7 3 0 263.29 234.50 24.96 o
-6 3 0 332.73 322.83 22.90 o
-5 3 0 10.50 -3.65 6.52 o
-4 3 0 0.85 3.49 3.49 o
-3 3 0 792.04 774.37 15.17 o
-2 3 0 1011.93 1037.19 21.90 o
-1 3 0 411.57 336.24 10.74 o
0 3 0 1434.58 1402.39 30.81 o
1 3 0 1316.99 1284.73 30.42 o
2 3 0 1138.82 1167.98 32.01 o
3 3 0 2004.85 2121.29 50.75 o
4 3 0 3346.16 3632.02 77.57 o
5 3 0 1669.23 1740.34 54.50 o
6 3 0 756.94 712.47 37.63 o
-7 4 0 386.82 352.48 31.32 o
-6 4 0 761.54 779.38 28.19 o
-5 4 0 1250.14 1198.49 32.36 o
-4 4 0 106.65 98.78 10.41 o
-3 4 0 3076.71 3251.46 50.50 o
-2 4 0 7535.18 7686.81 184.30 o
-1 4 0 4405.47 4587.81 58.70 o
0 4 0 27.21 15.86 5.47 o
1 4 0 18.64 11.35 5.71 o
2 4 0 219.22 212.43 15.11 o
3 4 0 230.73 208.88 16.97 o
4 4 0 296.46 309.42 21.71 o
5 4 0 58.64 46.91 16.07 o
6 4 0 115.45 119.05 22.64 o
-7 5 0 4.03 -6.76 14.57 o
-6 5 0 134.02 133.08 15.17 o
-5 5 0 828.10 846.17 36.46 o
-4 5 0 1062.61 1096.83 29.40 o
-3 5 0 2344.42 2186.84 41.71 o
-2 5 0 1523.27 1487.06 37.79 o
-1 5 0 2130.59 2095.41 36.78 o
0 5 0 4656.82 4518.48 81.41 o
1 5 0 7686.06 7251.70 116.03 o
2 5 0 4048.53 4145.58 81.11 o
3 5 0 515.37 529.59 27.30 o
4 5 0 755.91 758.45 35.70 o
5 5 0 461.97 455.66 30.60 o
-7 6 0 135.97 152.96 25.89 o
-6 6 0 8.36 -11.51 8.01 o
-5 6 0 88.42 68.69 14.72 o
-4 6 0 129.78 115.48 22.77 o
-3 6 0 33.80 21.55 6.73 o
-2 6 0 3201.49 3119.64 52.67 o
-1 6 0 2108.71 2031.31 38.90 o
0 6 0 2051.60 1978.50 51.08 o
1 6 0 644.48 590.61 26.79 o
2 6 0 508.09 510.49 26.61 o
3 6 0 1048.95 1105.40 42.43 o
4 6 0 656.13 657.34 35.70 o
5 6 0 83.23 63.91 19.67 o
-6 7 0 71.48 70.86 18.17 o
-5 7 0 393.55 399.97 21.09 o
-4 7 0 113.14 119.11 48.47 o
-3 7 0 57.31 63.14 10.33 o
-2 7 0 578.58 655.02 32.87 o
-1 7 0 3266.44 3190.35 76.45 o
0 7 0 725.95 718.09 32.01 o
1 7 0 70.51 63.01 12.74 o
2 7 0 514.48 438.76 27.00 o
3 7 0 374.12 298.77 24.24 o
4 7 0 90.56 68.30 18.86 o
-6 8 0 189.93 187.27 32.66 o
-5 8 0 403.40 440.52 24.01 o
-4 8 0 183.41 162.35 15.69 o
-3 8 0 133.33 116.84 13.91 o
-2 8 0 1309.09 1310.08 35.99 o
-1 8 0 210.63 223.84 21.53 o
0 8 0 12.48 8.41 7.93 o
1 8 0 597.73 534.52 30.57 o
2 8 0 1304.06 1318.37 49.94 o
3 8 0 186.75 186.09 24.90 o
-5 9 0 260.41 248.56 20.61 o
-4 9 0 427.68 435.24 24.00 o
-3 9 0 208.17 239.61 18.92 o
-2 9 0 38.32 33.58 15.23 o
-1 9 0 710.19 667.28 36.97 o
0 9 0 158.41 143.53 21.35 o
1 9 0 30.50 13.82 11.86 o
2 9 0 7.53 10.03 13.24 o
3 9 0 12.00 4.02 16.67 o
-5 10 0 145.64 140.00 54.60 o
-4 10 0 793.68 889.61 35.26 o
-3 10 0 645.96 675.14 33.84 o
-2 10 0 741.88 712.74 42.43 o
-1 10 0 512.19 524.67 35.43 o
0 10 0 101.89 87.37 18.98 o
1 10 0 230.07 246.33 29.04 o
-3 11 0 43.85 25.11 15.95 o
-2 11 0 47.32 55.56 17.54 o
-1 11 0 273.82 287.54 29.58 o
0 11 0 280.97 310.50 30.03 o
0 -11 1 470.43 440.11 33.39 o
1 -11 1 378.78 370.26 31.11 o
2 -11 1 339.37 356.30 31.95 o
3 -11 1 150.00 169.77 18.69 o
4 -11 1 51.90 33.35 12.22 o
-2 -10 1 112.01 76.02 21.08 o
-1 -10 1 1.31 -5.98 11.98 o
0 -10 1 2.41 -13.37 8.65 o
1 -10 1 141.38 133.80 21.74 o
2 -10 1 78.27 32.05 15.29 o
3 -10 1 17.87 19.09 9.56 o
4 -10 1 308.82 313.33 22.57 o
5 -10 1 309.99 328.30 22.59 o
-3 -9 1 190.87 186.60 28.05 o
-2 -9 1 949.62 882.34 42.76 o
-1 -9 1 894.32 841.75 39.79 o
0 -9 1 6.42 6.16 8.77 o
1 -9 1 83.37 56.01 15.20 o
2 -9 1 332.68 338.76 19.21 o
3 -9 1 403.81 433.15 22.38 o
4 -9 1 17.58 1.39 8.37 o
5 -9 1 171.62 201.11 20.16 o
6 -9 1 133.48 158.70 28.05 o
-4 -8 1 42.28 39.61 17.36 o
-3 -8 1 26.89 -17.15 10.45 o
-2 -8 1 36.66 29.40 12.85 o
-1 -8 1 22.03 14.78 10.09 o
0 -8 1 562.71 514.13 28.23 o
1 -8 1 4455.85 4319.54 95.04 o
2 -8 1 3120.03 3270.98 59.47 o
3 -8 1 216.74 204.46 15.66 o
4 -8 1 1139.72 1196.48 36.57 o
5 -8 1 1446.94 1607.74 44.20 o
6 -8 1 510.64 536.53 38.05 o
-4 -7 1 487.98 519.83 34.02 o
-3 -7 1 336.00 350.86 25.43 o
-2 -7 1 109.70 99.83 15.65 o
-1 -7 1 340.28 310.86 20.81 o
0 -7 1 667.78 639.56 28.89 o
1 -7 1 213.21 211.84 12.73 o
2 -7 1 79.34 55.79 8.99 o
3 -7 1 0.62 -3.67 5.32 o
4 -7 1 908.77 876.92 29.12 o
5 -7 1 20.77 29.15 9.51 o
6 -7 1 69.38 69.26 19.43 o
-5 -6 1 320.25 352.27 28.14 o
-4 -6 1 1344.46 1388.01 51.20 o
-3 -6 1 891.38 915.59 38.08 o
-2 -6 1 3475.72 3573.49 77.11 o
-1 -6 1 6792.04 6295.99 107.80 o
0 -6 1 3449.19 3216.09 67.02 o
1 -6 1 2216.43 2276.79 40.26 o
2 -6 1 3839.74 3875.82 59.88 o
3 -6 1 2450.97 2347.98 91.45 o
4 -6 1 1254.47 1234.26 32.83 o
5 -6 1 1.28 -2.96 6.52 o
6 -6 1 5.90 -12.77 12.80 o
7 -6 1 3.04 -7.36 14.54 o
-5 -5 1 0.03 -7.54 11.20 o
-4 -5 1 12.13 3.06 10.78 o
-3 -5 1 59.32 62.68 13.43 o
-2 -5 1 724.01 731.39 28.95 o
-1 -5 1 2094.08 2033.39 47.36 o
0 -5 1 110.09 112.90 10.90 o
1 -5 1 140.44 131.71 8.41 o
2 -5 1 1412.14 1436.87 24.28 o
3 -5 1 4.39 6.02 4.97 o
4 -5 1 84.64 72.25 17.51 o
5 -5 1 542.96 548.78 22.04 o
6 -5 1 1062.61 1130.03 52.94 o
7 -5 1 205.00 219.82 29.16 o
-6 -4 1 507.27 506.95 34.05 o
-5 -4 1 499.45 499.92 30.60 o
-4 -4 1 547.49 571.57 29.43 o
-3 -4 1 904.21 854.18 32.10 o
-2 -4 1 2664.45 2750.28 57.78 o
-1 -4 1 8705.76 9219.53 133.63 o
0 -4 1 5977.66 5565.34 104.37 o
1 -4 1 1095.86 1096.97 15.61 o
2 -4 1 1488.56 1571.09 19.29 o
3 -4 1 1655.99 1683.26 22.05 o
4 -4 1 515.94 476.99 18.07 o
5 -4 1 39.49 20.42 7.42 o
6 -4 1 101.27 117.25 22.61 o
7 -4 1 25.88 47.90 18.44 o
-6 -3 1 22.38 17.09 14.42 o
-5 -3 1 1.45 -5.62 9.55 o
-4 -3 1 785.22 818.08 33.90 o
-3 -3 1 972.74 994.74 33.75 o
-2 -3 1 328.57 340.62 16.85 o
-1 -3 1 219.85 196.72 10.69 o
0 -3 1 42.50 40.86 9.28 o
1 -3 1 2964.45 2995.40 28.97 o
2 -3 1 9468.19 9773.59 93.47 o
3 -3 1 4384.15 4364.63 44.34 o
4 -3 1 2248.48 2285.17 31.38 o
5 -3 1 1521.94 1484.62 34.70 o
6 -3 1 2214.11 2144.11 71.95 o
7 -3 1 473.22 420.41 33.18 o
-6 -2 1 691.76 769.11 26.53 o
-5 -2 1 552.22 558.13 20.35 o
-4 -2 1 1574.55 1614.05 31.42 o
-3 -2 1 10038.76 10604.08 104.46 o
-2 -2 1 5046.19 5254.98 56.15 o
-1 -2 1 41.46 43.79 4.89 o
0 -2 1 703.66 724.18 9.55 o
1 -2 1 126.10 112.04 4.87 o
2 -2 1 21.82 20.02 2.59 o
3 -2 1 2801.87 2792.13 37.17 o
4 -2 1 2079.69 2032.26 33.87 o
5 -2 1 934.33 891.31 23.84 o
6 -2 1 217.05 142.06 23.43 o
7 -2 1 15.75 4.29 12.70 o
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-6 -1 1 310.39 354.88 19.26 o
-5 -1 1 732.56 731.84 33.78 o
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-3 -1 1 2470.05 2556.29 54.62 o
-2 -1 1 2420.05 2432.99 46.64 o
-1 -1 1 4232.99 4491.03 65.43 o
0 -1 1 12744.87 12768.74 100.97 o
1 -1 1 27846.46 28058.04 581.12 o
2 -1 1 84.15 58.87 5.65 o
3 -1 1 2015.66 2002.88 42.04 o
4 -1 1 5152.83 5033.39 87.32 o
5 -1 1 1059.75 1027.21 35.73 o
6 -1 1 122.26 105.11 26.29 o
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-5 0 1 0.31 -4.68 7.21 o
-4 0 1 775.73 733.73 29.07 o
-3 0 1 1189.00 1196.39 33.90 o
-2 0 1 1617.70 1629.65 35.37 o
-1 0 1 1640.70 1750.51 20.97 o
0 0 1 3473.89 3338.15 47.90 o
1 0 1 135.37 128.13 3.45 o
2 0 1 1271.69 1349.30 27.87 o
3 0 1 3958.77 4199.99 71.29 o
4 0 1 250.00 242.88 16.58 o
5 0 1 104.66 101.43 10.36 o
7 0 1 709.73 857.33 52.67 o
-7 1 1 11.54 1.11 11.53 o
-6 1 1 237.88 239.55 15.72 o
-5 1 1 1792.37 1727.02 50.67 o
-4 1 1 814.50 799.03 22.04 o
-3 1 1 937.33 933.82 21.37 o
-2 1 1 2595.69 2491.67 34.26 o
-1 1 1 601.59 617.69 18.53 o
0 1 1 1373.33 1468.03 26.52 o
1 1 1 27541.47 27251.83 336.69 o
2 1 1 975.84 989.19 24.74 o
3 1 1 1573.79 1603.00 25.60 o
4 1 1 846.20 866.32 20.49 o
5 1 1 8.41 0.95 10.45 o
7 1 1 9.42 13.46 22.59 o
-7 2 1 172.98 155.72 22.71 o
-6 2 1 232.78 208.72 15.10 o
-5 2 1 208.54 172.88 12.98 o
-4 2 1 2.08 2.67 3.85 o
-3 2 1 6501.00 6576.09 78.77 o
-2 2 1 6959.78 7005.77 78.60 o
-1 2 1 2135.86 2156.98 30.44 o
0 2 1 8712.52 8596.22 118.19 o
1 2 1 4717.08 4806.76 72.43 o
2 2 1 2580.65 2710.19 50.69 o
3 2 1 2908.78 2914.11 58.56 o
4 2 1 2816.90 2965.01 64.92 o
5 2 1 1275.24 1285.22 43.63 o
-7 3 1 245.92 242.61 24.15 o
-6 3 1 306.82 299.82 21.36 o
-5 3 1 205.21 180.50 13.61 o
-4 3 1 114.40 88.62 25.59 o
-3 3 1 1037.32 1016.08 15.26 o
-2 3 1 9288.49 9391.54 103.97 o
-1 3 1 4363.44 4352.37 54.79 o
0 3 1 2552.43 2423.41 47.12 o
1 3 1 462.17 461.79 17.51 o
2 3 1 255.55 269.28 14.96 o
3 3 1 163.09 135.48 13.10 o
4 3 1 753.59 766.94 31.80 o
5 3 1 532.03 600.79 31.17 o
-7 4 1 223.95 210.35 24.75 o
-6 4 1 1087.75 1115.76 33.74 o
-5 4 1 3381.84 3486.36 60.37 o
-4 4 1 3681.87 3667.42 58.35 o
-3 4 1 3902.21 3926.98 60.99 o
-2 4 1 924.08 854.30 21.91 o
-1 4 1 579.92 533.84 16.17 o
0 4 1 4925.59 5107.56 86.27 o
1 4 1 2602.40 2399.84 50.75 o
2 4 1 202.98 210.23 15.26 o
3 4 1 139.46 116.05 15.23 o
4 4 1 12.21 -10.69 9.34 o
5 4 1 781.64 774.33 37.00 o
-7 5 1 81.72 97.58 21.98 o
-6 5 1 24.76 14.90 8.96 o
-5 5 1 36.06 24.47 8.97 o
-4 5 1 161.73 133.44 12.23 o
-3 5 1 315.83 306.77 18.61 o
-2 5 1 1153.15 1049.25 26.45 o
-1 5 1 431.11 439.68 16.11 o
0 5 1 479.84 429.72 21.47 o
1 5 1 817.51 789.89 29.49 o
2 5 1 1248.62 1378.43 41.29 o
3 5 1 2175.33 2234.47 59.25 o
4 5 1 1615.95 1646.77 53.72 o
5 5 1 141.66 146.56 23.07 o
-7 6 1 56.64 52.17 16.73 o
-6 6 1 13.67 2.32 13.76 o
-5 6 1 733.00 717.85 27.30 o
-4 6 1 788.42 777.83 39.97 o
-3 6 1 124.59 130.95 15.84 o
-2 6 1 54.05 54.56 8.66 o
-1 6 1 766.37 719.83 32.46 o
0 6 1 561.52 567.13 27.12 o
1 6 1 10.45 5.47 7.57 o
2 6 1 753.91 700.25 31.59 o
3 6 1 1040.46 1052.25 41.47 o
4 6 1 67.82 36.04 14.45 o
5 6 1 1.39 -9.70 11.98 o
-6 7 1 62.89 64.20 17.65 o
-5 7 1 325.45 303.45 19.02 o
-4 7 1 21.93 11.71 7.82 o
-3 7 1 203.50 207.88 15.33 o
-2 7 1 2765.34 2752.69 52.82 o
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0 7 1 1702.24 1663.37 51.56 o
1 7 1 1807.97 1752.80 53.72 o
2 7 1 1589.68 1594.49 52.88 o
3 7 1 919.19 920.99 41.74 o
4 7 1 270.57 274.32 25.02 o
-6 8 1 223.64 235.09 33.35 o
-5 8 1 95.53 81.70 29.96 o
-4 8 1 3.56 -11.12 6.91 o
-3 8 1 0.67 -5.92 6.84 o
-2 8 1 0.52 30.27 12.59 o
-1 8 1 56.06 50.09 13.13 o
0 8 1 5.72 11.86 8.89 o
1 8 1 685.50 648.90 35.04 o
2 8 1 359.27 356.27 27.78 o
3 8 1 30.85 14.54 13.85 o
-5 9 1 249.78 254.68 39.30 o
-4 9 1 1066.66 1187.15 39.63 o
-3 9 1 1496.44 1584.77 53.77 o
-2 9 1 524.05 496.44 34.86 o
-1 9 1 768.85 725.98 39.79 o
0 9 1 409.18 381.10 28.44 o
1 9 1 272.64 248.62 24.00 o
2 9 1 285.83 267.09 26.16 o
-4 10 1 84.43 72.87 24.91 o
-3 10 1 38.02 58.03 20.36 o
-2 10 1 27.57 27.66 15.68 o
-1 10 1 448.17 452.27 34.29 o
0 10 1 37.65 41.30 16.91 o
1 10 1 6.14 9.19 13.18 o
-3 11 1 282.39 325.28 34.02 o
-2 11 1 14.41 13.94 16.22 o
-1 11 1 147.10 136.17 24.78 o
-1 -11 2 0.14 -6.79 13.04 o
0 -11 2 4.14 17.27 12.85 o
1 -11 2 0.52 -11.44 9.55 o
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3 -11 2 14.95 5.08 10.13 o
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-2 -10 2 848.24 874.78 45.01 o
-1 -10 2 1059.72 1049.43 47.51 o
0 -10 2 299.83 286.64 24.57 o
1 -10 2 285.52 259.37 24.48 o
2 -10 2 612.52 621.71 32.45 o
3 -10 2 436.35 418.84 39.32 o
4 -10 2 0.07 3.22 8.73 o
5 -10 2 49.06 49.58 18.65 o
-3 -9 2 78.56 113.95 21.95 o
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0 -9 2 501.95 480.62 28.95 o
1 -9 2 1252.63 1245.97 48.14 o
2 -9 2 1836.09 1836.75 43.91 o
3 -9 2 276.02 260.07 24.78 o
4 -9 2 312.06 296.95 19.58 o
5 -9 2 1485.80 1598.39 64.41 o
6 -9 2 719.52 906.94 51.32 o
-4 -8 2 316.14 330.44 29.40 o
-3 -8 2 188.66 199.09 24.42 o
-2 -8 2 8.19 -16.67 8.53 o
-1 -8 2 41.17 31.81 11.08 o
0 -8 2 94.36 101.33 16.22 o
1 -8 2 45.25 40.28 11.31 o
2 -8 2 876.16 876.76 27.86 o
3 -8 2 401.26 383.35 20.08 o
4 -8 2 492.77 490.76 23.21 o
5 -8 2 188.12 184.17 27.66 o
6 -8 2 19.16 8.05 17.42 o
-5 -7 2 321.64 343.35 30.87 o
-4 -7 2 1162.68 1168.58 49.19 o
-3 -7 2 918.53 959.67 41.50 o
-2 -7 2 42.48 29.01 12.01 o
-1 -7 2 1531.87 1480.52 44.53 o
0 -7 2 661.91 645.15 27.90 o
1 -7 2 128.27 131.16 12.31 o
2 -7 2 1578.57 1597.27 36.21 o
3 -7 2 2263.69 2235.06 72.08 o
4 -7 2 473.54 484.90 21.67 o
5 -7 2 390.58 402.40 21.22 o
6 -7 2 82.14 107.52 24.42 o
7 -7 2 32.52 11.44 17.57 o
-5 -6 2 0.02 -5.01 11.71 o
-4 -6 2 260.42 257.96 22.64 o
-3 -6 2 129.88 152.99 18.83 o
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-1 -6 2 1912.66 1917.66 48.53 o
0 -6 2 150.79 149.00 12.92 o
1 -6 2 16.66 16.12 3.39 o
2 -6 2 1557.03 1490.81 31.60 o
3 -6 2 540.52 544.20 20.61 o
4 -6 2 115.46 127.70 12.68 o
5 -6 2 750.04 796.01 35.70 o
6 -6 2 588.20 671.42 42.19 o
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