#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2011634.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_2011634_Fobs
loop_
_publ_author_name
'K\"onig, Uwe-Christoph'
'Berkei, Michael'
'Hirsch, Claudia'
'Preut, Hans'
'Mitchell, Terence Nigel'
_publ_section_title
;
 Bromodimethyl(<i>N</i>-methylpyrrolidin-2-one-<i>O</i>)tin(IV)-di-\m-bromo-bromodimethyltin(IV)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e550
_journal_page_last               e551
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.5279
_cell_length_b                   10.4817
_cell_length_c                   24.7865
_exptl_crystal_F_000             1320.00
_reflns_d_resolution_high        0.8196
_[local]_cod_data_source_file    qa0424Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ccd1158 in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            426.09
_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+1/2'
'x+1/2, -y+1/2, -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
2 0 0 7700.50 7560.08 407.76 o
4 0 0 488.86 476.77 106.64 o
6 0 0 2796.87 2590.84 213.29 o
8 0 0 1883.25 1317.38 382.67 o
1 1 0 28679.22 27106.47 720.79 o
2 1 0 7012.05 6938.90 154.24 o
3 1 0 1467.27 1387.81 64.41 o
4 1 0 1271.56 1181.99 77.03 o
5 1 0 558.94 508.74 92.09 o
6 1 0 1066.81 955.02 128.64 o
7 1 0 2828.50 2326.12 208.99 o
8 1 0 169.00 21.80 262.27 o
9 1 0 796.27 238.38 478.12 o
0 2 0 73.15 -1.25 31.32 o
1 2 0 814.92 912.00 50.09 o
2 2 0 106850.57 105711.15 2712.61 o
3 2 0 278.80 253.35 49.77 o
4 2 0 51591.48 53815.93 1673.90 o
5 2 0 4325.22 4402.92 157.86 o
6 2 0 1728.06 1638.34 132.01 o
7 2 0 4117.78 4034.83 334.36 o
8 2 0 174.67 85.63 262.18 o
9 2 0 410.35 267.88 479.70 o
1 3 0 51038.43 51614.14 1255.03 o
2 3 0 47133.86 48844.23 1250.72 o
3 3 0 21040.09 21024.06 525.94 o
4 3 0 451.45 495.28 77.94 o
5 3 0 455.86 476.43 101.39 o
6 3 0 3274.64 3217.47 189.89 o
7 3 0 1660.16 1744.26 232.48 o
8 3 0 885.36 739.24 331.89 o
0 4 0 15821.08 15334.54 508.19 o
1 4 0 15930.42 16020.39 424.93 o
2 4 0 36217.28 37100.68 903.32 o
3 4 0 4212.20 4340.24 204.63 o
4 4 0 3382.07 3340.10 140.17 o
5 4 0 621.64 677.78 118.81 o
6 4 0 2674.89 2936.92 244.41 o
7 4 0 28.07 -188.18 188.18 o
8 4 0 221.96 532.85 542.63 o
1 5 0 3.99 30.54 83.15 o
2 5 0 4939.99 5039.93 148.55 o
3 5 0 48.16 105.51 67.29 o
4 5 0 1745.18 1608.92 116.35 o
5 5 0 25076.56 27157.02 1277.77 o
6 5 0 1589.45 1379.30 176.57 o
7 5 0 25.56 258.84 201.94 o
8 5 0 408.01 663.68 318.87 o
0 6 0 21584.93 21077.66 807.29 o
1 6 0 582.09 542.76 82.89 o
2 6 0 1983.97 1970.55 108.45 o
3 6 0 4385.13 4566.49 166.38 o
4 6 0 653.61 728.44 101.56 o
5 6 0 17385.19 18382.38 1023.99 o
6 6 0 181.14 146.09 188.26 o
7 6 0 601.39 725.91 271.44 o
8 6 0 853.71 961.48 378.15 o
1 7 0 277.24 235.46 89.29 o
2 7 0 39.64 -3.54 85.98 o
3 7 0 7.31 -1.05 111.61 o
4 7 0 6610.70 6254.80 285.74 o
5 7 0 2047.39 1664.16 211.97 o
6 7 0 395.67 351.03 187.21 o
7 7 0 4793.15 5313.03 683.35 o
0 8 0 17.77 -82.07 127.62 o
1 8 0 2703.41 2678.56 161.35 o
2 8 0 1821.63 1805.88 140.79 o
3 8 0 2613.79 2527.76 217.92 o
4 8 0 2585.52 2263.05 206.53 o
5 8 0 243.08 258.87 192.05 o
6 8 0 509.32 603.25 242.82 o
7 8 0 2843.91 3122.14 669.01 o
1 9 0 598.10 641.06 139.77 o
2 9 0 2407.85 2358.17 228.09 o
3 9 0 15777.12 15987.92 1133.28 o
4 9 0 2038.58 1957.55 256.39 o
5 9 0 193.68 52.08 246.88 o
6 9 0 604.74 543.04 347.09 o
0 10 0 428.91 366.68 242.54 o
1 10 0 1622.29 1751.75 224.25 o
2 10 0 659.95 692.69 200.62 o
3 10 0 23.22 96.45 218.32 o
4 10 0 2813.10 2599.67 342.34 o
5 10 0 975.75 855.43 239.00 o
1 11 0 8.27 -111.36 224.03 o
2 11 0 1371.61 1071.89 240.69 o
3 11 0 411.35 455.48 269.52 o
4 11 0 309.84 258.63 250.51 o
0 12 0 2776.87 2653.75 652.02 o
1 12 0 757.36 725.48 318.62 o
2 12 0 1223.65 1377.12 346.72 o
3 12 0 1965.91 2482.65 499.74 o
1 0 1 24254.99 24156.23 910.02 o
2 0 1 2658.90 2815.43 76.62 o
3 0 1 53541.20 51029.22 1265.06 o
4 0 1 46.37 178.75 67.18 o
5 0 1 10013.51 9688.64 303.83 o
6 0 1 499.28 415.81 117.49 o
7 0 1 196.72 260.83 167.86 o
8 0 1 2025.12 1626.47 296.80 o
9 0 1 260.55 128.62 419.88 o
-9 1 1 632.61 292.02 486.23 o
-8 1 1 133.86 7.42 286.54 o
-7 1 1 694.95 571.20 163.41 o
-6 1 1 843.66 701.84 115.08 o
-5 1 1 4720.47 4802.61 171.83 o
-4 1 1 7073.85 7376.10 170.69 o
-3 1 1 26274.53 25241.06 811.99 o
-2 1 1 34758.20 33075.23 881.30 o
-1 1 1 52355.80 51254.63 1309.36 o
1 1 1 53456.42 51475.50 1260.94 o
2 1 1 35443.23 34016.63 778.18 o
3 1 1 23300.47 23577.93 650.45 o
4 1 1 7410.92 7668.30 181.59 o
5 1 1 5179.70 5088.87 171.53 o
6 1 1 951.94 831.96 116.99 o
7 1 1 930.30 729.93 186.15 o
8 1 1 70.47 -212.54 294.73 o
9 1 1 559.14 603.54 404.62 o
-9 2 1 121.27 -646.14 646.14 o
-8 2 1 579.87 758.71 314.85 o
-7 2 1 3048.91 2853.68 253.65 o
-6 2 1 1173.85 1125.34 134.96 o
-5 2 1 9539.87 10059.40 288.42 o
-4 2 1 4726.41 4945.09 146.68 o
-3 2 1 7598.50 7515.13 254.44 o
-2 2 1 60218.62 58735.77 1525.21 o
-1 2 1 111180.65 111148.05 3148.14 o
0 2 1 1266.44 1262.91 38.07 o
1 2 1 110134.68 110578.87 2928.73 o
2 2 1 59518.20 58408.90 1446.70 o
3 2 1 7277.16 7188.88 168.53 o
4 2 1 4986.82 4956.12 137.05 o
5 2 1 10022.67 10318.53 330.82 o
6 2 1 1720.85 1622.31 137.91 o
7 2 1 3133.10 2671.81 246.51 o
8 2 1 534.71 503.04 294.84 o
9 2 1 52.13 -220.28 405.72 o
-8 3 1 493.47 356.47 288.50 o
-7 3 1 154.48 207.83 180.53 o
-6 3 1 8617.85 9016.30 394.90 o
-5 3 1 702.40 734.34 102.10 o
-4 3 1 8592.42 8081.01 343.76 o
-3 3 1 14992.82 15029.04 374.42 o
-2 3 1 7485.28 7360.39 192.56 o
-1 3 1 15503.83 15309.61 384.53 o
0 3 1 19968.91 20285.88 456.63 o
1 3 1 14489.51 14616.34 349.09 o
2 3 1 7628.41 7612.51 212.23 o
3 3 1 15981.60 16142.85 434.99 o
4 3 1 6765.59 7141.46 261.68 o
5 3 1 1013.28 1056.48 116.20 o
6 3 1 9004.97 9417.66 464.68 o
7 3 1 158.22 121.03 183.74 o
8 3 1 437.46 408.28 357.33 o
-8 4 1 167.31 240.88 318.48 o
-7 4 1 1449.08 1605.59 227.30 o
-6 4 1 5485.60 5610.84 333.60 o
-5 4 1 464.55 461.68 106.74 o
-4 4 1 10919.84 11275.49 420.84 o
-3 4 1 38980.41 39560.50 959.69 o
-2 4 1 8588.28 8403.81 226.30 o
-1 4 1 22179.94 22601.45 542.99 o
0 4 1 21223.38 21199.27 519.26 o
1 4 1 23168.03 23267.18 580.57 o
2 4 1 6448.46 6697.12 170.27 o
3 4 1 38083.96 38452.71 906.25 o
4 4 1 12575.89 12744.87 474.55 o
5 4 1 617.34 553.28 103.95 o
6 4 1 5957.16 5913.32 347.94 o
7 4 1 1591.46 1631.63 306.47 o
8 4 1 155.14 121.59 309.72 o
-8 5 1 1134.76 954.63 536.82 o
-7 5 1 2442.66 2539.30 324.54 o
-6 5 1 4046.42 3996.60 301.74 o
-5 5 1 79.27 125.98 117.96 o
-4 5 1 2453.99 2346.18 134.50 o
-3 5 1 2944.00 3023.88 127.11 o
-2 5 1 26226.63 26672.10 678.63 o
-1 5 1 737.46 780.50 63.47 o
0 5 1 39171.12 39322.33 875.50 o
1 5 1 829.76 856.80 74.29 o
2 5 1 25653.55 26147.33 632.97 o
3 5 1 2600.74 2638.55 105.10 o
4 5 1 1990.40 1973.81 128.57 o
5 5 1 78.67 108.90 115.48 o
6 5 1 3928.21 3946.57 284.22 o
7 5 1 2277.58 2494.02 371.58 o
8 5 1 1113.69 926.62 337.74 o
-8 6 1 2572.00 3110.54 762.49 o
-7 6 1 2802.96 3353.08 422.16 o
-6 6 1 25.53 35.62 178.92 o
-5 6 1 4113.39 4024.41 233.91 o
-4 6 1 4111.59 3944.84 180.72 o
-3 6 1 1026.78 921.48 100.27 o
-2 6 1 4198.03 4330.84 165.32 o
-1 6 1 4392.29 4228.90 140.84 o
0 6 1 10248.74 9912.64 306.04 o
1 6 1 4589.56 4338.77 158.84 o
2 6 1 5837.60 5794.23 215.73 o
3 6 1 863.25 805.06 95.08 o
4 6 1 3873.92 3846.22 166.90 o
5 6 1 3995.61 3823.86 235.13 o
6 6 1 86.29 165.79 176.71 o
7 6 1 3083.93 3299.30 437.97 o
8 6 1 2678.04 2738.63 536.84 o
-7 7 1 1416.28 1534.13 317.06 o
-6 7 1 425.69 330.11 179.12 o
-5 7 1 3637.31 3647.66 276.31 o
-4 7 1 15334.13 15013.48 658.13 o
-3 7 1 1581.02 1577.21 124.85 o
-2 7 1 541.08 573.10 92.40 o
-1 7 1 4174.75 4215.33 165.29 o
0 7 1 945.94 921.51 84.03 o
1 7 1 4070.91 4162.76 165.32 o
2 7 1 393.07 483.26 104.49 o
3 7 1 1170.79 1179.82 125.88 o
4 7 1 14996.44 14940.62 683.22 o
5 7 1 4163.02 4169.51 330.28 o
6 7 1 384.64 528.55 203.82 o
7 7 1 1274.99 1351.47 293.43 o
-7 8 1 5.70 -101.28 351.17 o
-6 8 1 3743.55 4090.56 494.52 o
-5 8 1 3047.68 3095.14 315.87 o
-4 8 1 2021.53 2025.15 202.09 o
-3 8 1 4610.35 4239.62 241.86 o
-2 8 1 9160.13 9250.30 403.11 o
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0 8 1 16.95 111.01 101.92 o
1 8 1 966.36 872.49 119.31 o
2 8 1 9359.76 9035.84 400.47 o
3 8 1 4342.22 4307.93 294.20 o
4 8 1 2454.40 2511.32 226.14 o
5 8 1 2831.09 2658.14 251.62 o
6 8 1 3893.70 4699.27 555.06 o
7 8 1 5.30 -45.38 296.05 o
-6 9 1 924.03 917.25 359.90 o
-5 9 1 917.94 741.80 205.20 o
-4 9 1 700.58 747.50 190.16 o
-3 9 1 9.31 -8.01 166.15 o
-2 9 1 367.41 453.36 164.16 o
-1 9 1 1028.36 995.48 158.17 o
0 9 1 139.34 165.20 139.80 o
1 9 1 1495.42 1335.00 169.85 o
2 9 1 269.20 252.66 151.43 o
3 9 1 13.75 83.72 159.76 o
4 9 1 655.22 664.75 185.97 o
5 9 1 993.21 950.05 217.69 o
6 9 1 973.31 1009.05 373.16 o
-5 10 1 60.78 171.10 248.59 o
-4 10 1 1032.46 1187.29 241.05 o
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-1 10 1 2321.71 2501.42 271.12 o
0 10 1 44.44 -14.01 180.18 o
1 10 1 2093.24 2119.79 231.66 o
2 10 1 7359.24 7457.97 671.73 o
3 10 1 781.05 677.62 231.08 o
4 10 1 1020.12 1065.37 229.40 o
5 10 1 75.90 146.75 261.31 o
-4 11 1 1297.64 1136.87 286.80 o
-3 11 1 67.67 145.24 263.20 o
-2 11 1 1054.46 972.60 251.40 o
-1 11 1 1494.74 1326.11 251.23 o
0 11 1 812.47 852.31 222.94 o
1 11 1 1660.79 1545.24 294.49 o
2 11 1 1020.46 1127.13 273.95 o
3 11 1 132.21 202.09 227.87 o
4 11 1 1214.41 1361.62 266.29 o
-3 12 1 1114.63 1036.41 355.20 o
-2 12 1 542.30 401.25 286.39 o
-1 12 1 426.07 459.52 277.45 o
0 12 1 5167.87 4964.00 713.59 o
1 12 1 354.43 265.15 249.10 o
2 12 1 829.43 591.44 274.94 o
3 12 1 981.42 573.22 338.57 o
0 0 2 143.31 -16.83 16.83 o
1 0 2 20283.56 17155.03 1475.90 o
2 0 2 2231.31 2167.50 63.15 o
3 0 2 15496.99 15709.48 401.70 o
4 0 2 52888.20 51098.79 1272.01 o
5 0 2 1060.93 1123.24 91.02 o
6 0 2 1147.88 997.88 128.64 o
7 0 2 27.39 173.56 178.67 o
8 0 2 116.62 -119.19 328.25 o
9 0 2 1141.39 755.77 415.24 o
-9 1 2 147.93 29.15 493.79 o
-8 1 2 534.89 412.11 262.27 o
-7 1 2 1116.15 1098.31 157.43 o
-6 1 2 9723.30 9774.21 365.45 o
-5 1 2 6901.57 6518.34 220.84 o
-4 1 2 19541.13 19480.57 480.41 o
-3 1 2 26973.12 27039.45 656.20 o
-2 1 2 556.10 632.36 44.37 o
-1 1 2 35238.03 35258.48 986.90 o
1 1 2 41776.13 39321.42 957.97 o
2 1 2 416.10 506.26 37.69 o
3 1 2 26878.99 26208.36 903.72 o
4 1 2 19533.81 19353.16 486.61 o
5 1 2 6514.90 6355.58 214.84 o
6 1 2 8545.46 8456.79 409.46 o
7 1 2 1184.68 890.08 191.42 o
8 1 2 651.60 286.12 260.70 o
9 1 2 201.96 330.55 464.04 o
-9 2 2 73.77 -162.85 501.53 o
-8 2 2 1461.66 1455.96 340.78 o
-7 2 2 129.32 127.26 172.51 o
-6 2 2 742.94 775.22 125.97 o
-5 2 2 2223.42 2196.11 111.31 o
-4 2 2 4768.96 5044.29 147.27 o
-3 2 2 7202.88 7495.78 181.74 o
-2 2 2 18333.20 18793.67 430.16 o
-1 2 2 10993.82 11074.96 288.73 o
0 2 2 31764.69 32173.06 822.76 o
1 2 2 9514.62 10045.57 262.20 o
2 2 2 18518.88 18762.11 464.81 o
3 2 2 8862.33 8547.89 204.25 o
4 2 2 5280.95 5413.59 218.28 o
5 2 2 1994.06 1821.56 117.69 o
6 2 2 708.45 677.34 121.94 o
7 2 2 126.59 -0.94 169.68 o
8 2 2 1612.86 1587.46 454.81 o
9 2 2 112.42 -269.24 407.45 o
-8 3 2 1204.51 1127.04 336.77 o
-7 3 2 2066.99 2002.67 272.39 o
-6 3 2 818.05 775.61 122.40 o
-5 3 2 805.67 884.57 102.98 o
-4 3 2 6695.70 6974.64 309.67 o
-3 3 2 22668.64 22549.31 527.37 o
-2 3 2 47422.59 47909.87 1214.13 o
-1 3 2 24320.43 24766.15 582.37 o
0 3 2 66408.20 66656.12 1728.13 o
1 3 2 24921.19 24822.71 631.64 o
2 3 2 47194.95 48552.32 1143.76 o
3 3 2 22595.07 22953.11 665.09 o
4 3 2 7110.59 7037.10 392.49 o
5 3 2 595.99 662.50 104.10 o
6 3 2 701.21 587.36 136.72 o
7 3 2 1892.48 2002.67 242.43 o
8 3 2 1212.88 1246.06 405.87 o
-8 4 2 711.45 845.87 458.13 o
-7 4 2 272.97 363.81 197.25 o
-6 4 2 13089.92 13667.38 697.00 o
-5 4 2 9438.30 9505.32 428.56 o
-4 4 2 554.51 509.97 81.59 o
-3 4 2 5023.71 5071.99 136.68 o
-2 4 2 4692.23 4887.66 149.27 o
-1 4 2 19836.39 20802.79 466.43 o
0 4 2 207.90 114.20 45.40 o
1 4 2 20770.48 21107.55 580.93 o
2 4 2 5570.37 5574.39 149.88 o
3 4 2 5061.12 5114.53 149.40 o
4 4 2 524.39 499.61 96.98 o
5 4 2 9607.46 9775.90 413.62 o
6 4 2 12661.17 12858.66 730.23 o
7 4 2 409.67 597.58 228.19 o
8 4 2 717.89 950.88 353.50 o
-8 5 2 778.01 614.65 440.01 o
-7 5 2 45.35 152.18 204.06 o
-6 5 2 2629.86 2843.60 261.32 o
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-4 5 2 5001.14 4927.94 212.46 o
-3 5 2 1815.73 1808.59 99.58 o
-2 5 2 7745.19 7640.81 192.76 o
-1 5 2 14838.04 14889.51 333.16 o
0 5 2 6472.40 6813.20 167.10 o
1 5 2 15390.01 15481.71 428.89 o
2 5 2 5919.19 6148.22 166.48 o
3 5 2 2221.70 2177.64 115.66 o
4 5 2 5302.68 5077.98 220.00 o
5 5 2 10161.71 10309.44 503.78 o
6 5 2 2725.78 2709.68 220.91 o
7 5 2 109.02 -1.06 240.20 o
8 5 2 743.47 625.80 339.56 o
-8 6 2 46.16 286.74 458.96 o
-7 6 2 1227.65 1404.33 279.17 o
-6 6 2 138.62 112.06 162.15 o
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-4 6 2 17709.83 18127.52 808.01 o
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0 6 2 3234.12 3197.87 121.97 o
1 6 2 43507.18 44597.80 1554.68 o
2 6 2 2503.30 2508.78 126.72 o
3 6 2 2710.34 2739.38 122.94 o
4 6 2 18311.93 18384.14 662.83 o
5 6 2 736.68 643.38 132.55 o
6 6 2 140.17 171.35 202.82 o
7 6 2 1245.07 1205.28 307.22 o
8 6 2 46.13 6.84 367.47 o
-7 7 2 251.00 -39.52 277.95 o
-6 7 2 359.47 335.20 199.60 o
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-4 7 2 293.73 397.87 115.59 o
-3 7 2 1488.55 1489.51 128.67 o
-2 7 2 2818.46 2807.68 176.57 o
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0 7 2 2802.81 2840.36 118.74 o
1 7 2 4571.42 4376.92 172.81 o
2 7 2 2724.37 2576.33 158.92 o
3 7 2 1764.28 1646.20 132.06 o
4 7 2 313.04 399.31 118.65 o
5 7 2 810.79 675.77 149.63 o
6 7 2 546.16 534.70 215.99 o
7 7 2 244.20 218.07 253.33 o
-7 8 2 1222.39 1319.69 488.85 o
-6 8 2 1577.86 1681.01 285.74 o
-5 8 2 957.93 993.66 200.61 o
-4 8 2 251.52 245.91 158.00 o
-3 8 2 15548.56 15911.25 912.32 o
-2 8 2 2623.34 2494.82 158.91 o
-1 8 2 863.94 879.83 113.94 o
0 8 2 3087.75 2981.20 150.52 o
1 8 2 804.08 822.40 127.08 o
2 8 2 2792.09 2511.04 185.57 o
3 8 2 16239.38 16327.85 951.57 o
4 8 2 257.82 228.84 159.80 o
5 8 2 813.88 725.34 197.05 o
6 8 2 1541.85 1648.30 321.48 o
7 8 2 1392.94 1614.70 382.39 o
-6 9 2 3556.79 3980.17 607.04 o
-5 9 2 160.52 156.33 238.21 o
-4 9 2 541.60 519.15 165.98 o
-3 9 2 1335.24 1319.47 218.53 o
-2 9 2 765.89 651.46 180.63 o
-1 9 2 6640.14 6705.09 445.50 o
0 9 2 368.96 409.23 132.59 o
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2 9 2 726.21 725.30 162.50 o
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