#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:00:21 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181900 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/00/2240036.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2240036
_cell_angle_alpha                88.884
_cell_angle_beta                 82.438
_cell_angle_gamma                85.470
_cell_length_a                   5.8017
_cell_length_b                   10.1903
_cell_length_c                   15.1592
_exptl_crystal_F_000             480.00
_reflns_d_resolution_high        0.8109
_cod_data_source_file            lh5731IIsup3.hkl
_cod_data_source_block           II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' gs13gs40 TZDNSA in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            305.92
_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 5906.58 5153.32 159.37 o
2 0 0 1009.83 1025.01 25.80 o
3 0 0 155.76 132.18 7.43 o
4 0 0 225.54 202.20 10.21 o
5 0 0 159.42 122.29 13.69 o
6 0 0 27.37 31.07 10.83 o
7 0 0 32.03 45.98 22.37 o
-7 1 0 6.78 -13.01 20.27 o
-6 1 0 171.65 199.59 26.11 o
-5 1 0 270.21 307.61 20.58 o
-4 1 0 387.54 448.62 22.35 o
-3 1 0 143.05 127.56 8.90 o
-2 1 0 3290.46 3763.68 75.81 o
-1 1 0 175.20 186.30 5.04 o
1 1 0 2121.67 2318.94 66.54 o
2 1 0 230.84 204.46 17.70 o
3 1 0 306.66 322.47 20.12 o
4 1 0 595.12 586.10 32.58 o
5 1 0 1385.84 1336.43 55.33 o
6 1 0 2.58 -2.59 10.40 o
7 1 0 51.50 82.14 26.57 o
-6 2 0 9.89 2.20 11.43 o
-5 2 0 305.86 358.96 22.24 o
-4 2 0 29.41 56.11 8.15 o
-3 2 0 39.84 48.33 7.62 o
-2 2 0 2063.26 2169.84 39.80 o
-1 2 0 450.42 462.05 9.89 o
0 2 0 135.33 151.01 7.93 o
1 2 0 479.84 441.94 11.56 o
2 2 0 4995.98 5319.47 149.89 o
3 2 0 2913.14 2915.10 104.70 o
4 2 0 31.10 17.71 19.35 o
5 2 0 71.26 76.13 15.29 o
6 2 0 6.13 31.37 13.29 o
7 2 0 6.33 8.42 12.01 o
-6 3 0 10.10 8.20 21.20 o
-5 3 0 42.35 82.16 19.12 o
-4 3 0 260.11 225.87 15.05 o
-3 3 0 674.30 636.97 53.98 o
-2 3 0 461.11 405.40 14.30 o
-1 3 0 715.16 712.73 17.54 o
0 3 0 39.05 31.05 4.84 o
1 3 0 1865.86 1868.87 58.87 o
2 3 0 1182.43 1120.59 30.51 o
3 3 0 817.86 846.13 50.78 o
4 3 0 337.85 293.54 33.03 o
5 3 0 1.32 6.76 8.91 o
6 3 0 116.70 110.01 18.77 o
-6 4 0 11.54 33.81 26.20 o
-5 4 0 2.75 11.69 20.75 o
-4 4 0 93.67 99.82 25.07 o
-3 4 0 95.19 84.35 10.70 o
-2 4 0 819.40 820.74 38.56 o
-1 4 0 7555.51 8369.18 183.34 o
0 4 0 1191.32 1328.18 51.14 o
1 4 0 2411.27 2344.02 63.99 o
2 4 0 2299.24 2337.04 56.43 o
3 4 0 2.66 4.20 4.11 o
4 4 0 842.24 794.63 56.79 o
5 4 0 43.86 59.03 19.54 o
6 4 0 88.27 62.53 18.41 o
-6 5 0 31.32 81.18 26.70 o
-5 5 0 129.17 100.70 28.85 o
-4 5 0 1328.51 1345.70 90.99 o
-3 5 0 200.52 221.96 38.50 o
-2 5 0 368.25 340.34 14.34 o
-1 5 0 37.59 39.63 6.18 o
0 5 0 2516.25 2627.81 88.93 o
1 5 0 1333.52 1387.44 44.40 o
2 5 0 10.61 10.82 8.91 o
3 5 0 53.68 38.08 6.53 o
4 5 0 47.27 58.67 17.60 o
5 5 0 91.08 123.67 26.23 o
6 5 0 98.09 87.40 17.55 o
-5 6 0 0.61 45.79 26.36 o
-4 6 0 0.83 7.32 16.89 o
-3 6 0 240.91 492.97 54.67 o
-2 6 0 148.05 147.72 9.34 o
-1 6 0 607.29 623.06 28.69 o
0 6 0 982.62 1087.29 40.99 o
1 6 0 4375.93 4483.75 145.19 o
2 6 0 192.20 187.88 18.47 o
3 6 0 413.84 356.31 38.11 o
4 6 0 306.94 320.37 38.66 o
5 6 0 58.81 47.37 17.99 o
6 6 0 2.61 13.17 17.08 o
-5 7 0 490.71 654.08 73.29 o
-4 7 0 2.44 1.76 19.90 o
-3 7 0 14.24 -7.84 17.97 o
-2 7 0 298.90 282.63 19.98 o
-1 7 0 811.59 781.07 35.04 o
0 7 0 472.60 432.57 26.69 o
1 7 0 29.68 36.33 12.18 o
2 7 0 1.57 0.90 9.92 o
3 7 0 3.49 3.08 25.81 o
4 7 0 207.31 226.54 36.74 o
5 7 0 67.62 67.22 23.14 o
6 7 0 9.91 -5.76 10.15 o
-5 8 0 12.20 34.30 26.58 o
-4 8 0 10.40 -7.32 15.64 o
-3 8 0 95.92 82.33 25.26 o
-2 8 0 380.41 353.64 42.95 o
-1 8 0 834.54 796.82 37.70 o
0 8 0 325.28 297.61 23.25 o
1 8 0 7.93 4.53 10.26 o
2 8 0 335.15 314.10 37.98 o
3 8 0 678.31 648.88 57.74 o
4 8 0 129.69 125.80 30.38 o
5 8 0 210.23 226.64 38.45 o
-4 9 0 18.73 17.43 22.22 o
-3 9 0 550.94 622.30 64.25 o
-2 9 0 82.10 129.82 29.79 o
-1 9 0 8.01 -1.18 8.90 o
0 9 0 135.29 133.10 17.25 o
1 9 0 652.18 651.40 53.47 o
2 9 0 609.98 563.45 52.43 o
3 9 0 28.23 29.75 16.88 o
4 9 0 26.99 47.66 20.32 o
5 9 0 29.97 41.51 24.33 o
-3 10 0 25.75 30.16 31.19 o
-2 10 0 31.45 11.09 18.84 o
-1 10 0 0.22 -29.29 21.57 o
0 10 0 39.98 55.93 14.22 o
1 10 0 1107.43 1105.49 55.47 o
2 10 0 198.34 200.33 33.29 o
3 10 0 65.49 85.37 23.69 o
4 10 0 4.05 10.11 19.96 o
-2 11 0 15.00 37.23 21.86 o
-1 11 0 141.18 103.57 28.87 o
0 11 0 8.66 13.00 15.43 o
1 11 0 3.20 -11.54 9.96 o
2 11 0 0.81 -32.81 20.14 o
3 11 0 9.02 -4.25 15.15 o
-1 12 0 11.02 -9.09 17.89 o
0 12 0 136.33 132.30 32.85 o
1 12 0 50.77 49.61 19.32 o
2 12 0 24.98 9.72 15.34 o
-2 -12 1 0.79 3.93 19.32 o
-1 -12 1 117.56 105.59 32.33 o
0 -12 1 181.39 202.77 40.77 o
1 -12 1 0.54 -0.96 17.87 o
-3 -11 1 50.81 69.47 24.66 o
-2 -11 1 193.02 116.52 29.96 o
-1 -11 1 9.05 -2.89 16.86 o
0 -11 1 31.52 38.20 15.87 o
1 -11 1 10.86 -5.59 15.10 o
2 -11 1 46.31 70.29 27.70 o
-4 -10 1 17.79 62.83 24.35 o
-3 -10 1 4.55 5.89 14.10 o
-2 -10 1 685.07 662.29 60.92 o
-1 -10 1 8.23 -10.51 15.46 o
0 -10 1 191.60 219.71 23.80 o
1 -10 1 86.71 100.94 30.94 o
2 -10 1 256.51 276.18 43.56 o
3 -10 1 147.89 139.13 36.06 o
-5 -9 1 1.11 17.40 20.55 o
-4 -9 1 165.03 204.11 38.88 o
-3 -9 1 550.30 529.65 55.22 o
-2 -9 1 93.01 69.51 20.91 o
-1 -9 1 73.14 73.86 19.41 o
0 -9 1 32.04 37.63 12.66 o
1 -9 1 85.73 98.40 20.43 o
2 -9 1 51.11 32.18 16.50 o
3 -9 1 70.62 71.23 28.97 o
4 -9 1 31.12 64.31 26.77 o
-5 -8 1 132.67 166.25 38.36 o
-4 -8 1 51.26 61.20 22.04 o
-3 -8 1 18.61 14.66 14.67 o
-2 -8 1 272.82 235.84 31.84 o
-1 -8 1 4.23 8.56 12.50 o
0 -8 1 421.71 371.72 27.19 o
1 -8 1 1511.07 1545.42 57.27 o
2 -8 1 1146.23 1198.67 81.12 o
3 -8 1 1.69 3.94 18.72 o
4 -8 1 28.93 90.81 28.47 o
5 -8 1 9.85 30.80 20.50 o
-6 -7 1 27.55 17.36 19.33 o
-5 -7 1 548.51 590.73 61.14 o
-4 -7 1 473.65 452.19 50.13 o
-3 -7 1 2.36 7.27 11.45 o
-2 -7 1 454.65 488.61 44.31 o
-1 -7 1 265.85 267.81 31.75 o
0 -7 1 204.08 211.07 19.26 o
1 -7 1 98.24 103.72 13.72 o
2 -7 1 113.82 108.27 14.13 o
3 -7 1 21.00 12.59 15.22 o
4 -7 1 88.27 70.26 24.65 o
5 -7 1 5.72 -7.29 20.58 o
-6 -6 1 0.84 -13.06 14.15 o
-5 -6 1 297.20 307.51 37.61 o
-4 -6 1 5.16 13.45 12.34 o
-3 -6 1 168.28 137.88 18.02 o
-2 -6 1 1544.78 1661.63 82.66 o
-1 -6 1 348.13 358.17 32.45 o
0 -6 1 4504.43 4936.79 111.92 o
1 -6 1 1188.82 1232.91 43.80 o
2 -6 1 353.00 345.86 26.65 o
3 -6 1 365.64 368.55 43.27 o
4 -6 1 15.86 26.69 18.72 o
5 -6 1 41.40 40.54 24.97 o
-6 -5 1 0.96 -0.62 10.46 o
-5 -5 1 45.70 73.79 19.67 o
-4 -5 1 74.44 99.60 22.51 o
-3 -5 1 644.54 646.25 26.30 o
-2 -5 1 3481.67 3606.67 90.85 o
-1 -5 1 181.15 150.70 19.82 o
0 -5 1 685.50 687.20 40.18 o
1 -5 1 6.41 8.67 8.07 o
2 -5 1 14.77 4.65 5.30 o
3 -5 1 546.08 567.13 25.79 o
4 -5 1 167.23 169.15 32.26 o
5 -5 1 52.74 57.32 26.38 o
6 -5 1 1.17 40.51 27.37 o
-6 -4 1 12.84 26.62 19.12 o
-5 -4 1 7.83 -8.84 12.30 o
-4 -4 1 92.26 89.70 20.42 o
-3 -4 1 8.70 8.83 6.88 o
-2 -4 1 15.95 2.75 3.73 o
-1 -4 1 1687.10 1675.90 67.54 o
0 -4 1 5.69 -2.38 8.01 o
1 -4 1 134.79 174.21 17.47 o
2 -4 1 4640.92 5070.79 105.61 o
3 -4 1 582.07 564.91 25.53 o
4 -4 1 99.48 71.08 10.94 o
5 -4 1 54.51 138.42 33.76 o
6 -4 1 1.70 36.57 24.76 o
-6 -3 1 10.99 11.91 9.67 o
-5 -3 1 117.52 106.85 17.01 o
-4 -3 1 303.05 302.76 32.24 o
-3 -3 1 3144.62 3188.41 116.68 o
-2 -3 1 4681.87 4918.44 93.34 o
-1 -3 1 473.53 474.77 18.92 o
0 -3 1 3895.93 4513.84 123.23 o
1 -3 1 16.86 20.71 4.06 o
2 -3 1 299.62 260.38 12.74 o
3 -3 1 381.13 437.04 23.04 o
4 -3 1 473.81 410.58 24.48 o
5 -3 1 182.87 207.62 37.22 o
6 -3 1 13.36 15.09 20.85 o
-7 -2 1 9.82 3.48 18.59 o
-6 -2 1 54.42 16.52 20.48 o
-5 -2 1 9.86 15.40 16.87 o
-4 -2 1 76.71 81.48 17.68 o
-3 -2 1 13.04 20.81 9.03 o
-2 -2 1 3285.76 3945.29 119.43 o
-1 -2 1 797.68 865.94 36.55 o
0 -2 1 41.22 55.68 7.80 o
1 -2 1 5507.89 6044.88 114.87 o
2 -2 1 6594.22 7512.88 111.98 o
3 -2 1 460.09 493.30 23.28 o
4 -2 1 926.16 975.74 35.33 o
5 -2 1 1382.75 1528.29 48.57 o
6 -2 1 3.83 22.34 12.33 o
-7 -1 1 5.94 90.25 30.68 o
-6 -1 1 173.84 149.44 20.66 o
-5 -1 1 112.42 120.23 16.85 o
-4 -1 1 352.57 341.89 24.80 o
-3 -1 1 2329.42 2371.37 86.79 o
-2 -1 1 862.66 1022.52 44.17 o
-1 -1 1 4997.43 5206.93 132.27 o
1 -1 1 496.09 587.25 17.97 o
2 -1 1 359.32 398.30 11.97 o
3 -1 1 154.90 172.85 11.98 o
4 -1 1 13.31 5.97 5.36 o
5 -1 1 159.68 181.51 16.62 o
6 -1 1 13.51 18.61 10.99 o
7 -1 1 43.50 47.74 17.52 o
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-6 0 1 24.80 22.24 14.87 o
-5 0 1 40.24 38.07 19.00 o
-4 0 1 21.14 6.79 5.67 o
-3 0 1 1207.52 1349.18 50.94 o
-2 0 1 25.53 32.88 5.84 o
-1 0 1 16628.32 10984.84 274.89 o
1 0 1 3455.26 3762.08 82.90 o
2 0 1 36.59 55.23 9.46 o
3 0 1 753.86 724.56 19.15 o
4 0 1 1005.70 923.44 24.26 o
5 0 1 74.91 71.22 16.42 o
6 0 1 48.34 71.19 15.22 o
7 0 1 37.16 32.86 19.36 o
-6 1 1 3.24 -3.88 12.88 o
-5 1 1 176.28 213.16 16.75 o
-4 1 1 35.97 42.64 9.72 o
-3 1 1 307.71 288.57 13.32 o
-2 1 1 1179.72 1228.72 35.68 o
-1 1 1 2318.31 2817.15 46.44 o
1 1 1 120.10 106.50 10.62 o
2 1 1 6528.50 6360.16 171.58 o
3 1 1 120.65 112.43 9.82 o
4 1 1 214.25 216.22 23.41 o
5 1 1 38.31 30.49 9.20 o
6 1 1 140.62 93.08 17.70 o
7 1 1 7.08 -2.95 16.10 o
-6 2 1 16.78 26.09 22.68 o
-5 2 1 663.92 591.54 40.58 o
-4 2 1 790.14 757.31 28.71 o
-3 2 1 2372.48 2354.81 46.24 o
-2 2 1 1106.21 1078.35 31.51 o
-1 2 1 2414.00 2787.70 59.10 o
0 2 1 718.44 721.05 26.56 o
1 2 1 12.64 11.69 2.66 o
2 2 1 881.22 814.93 21.43 o
3 2 1 1750.74 1649.81 71.94 o
4 2 1 912.10 857.54 39.03 o
5 2 1 69.03 74.45 14.07 o
6 2 1 95.97 121.55 18.87 o
7 2 1 8.59 -0.04 10.30 o
-6 3 1 9.70 -17.06 16.04 o
-5 3 1 1.06 3.24 10.23 o
-4 3 1 710.62 750.09 27.56 o
-3 3 1 1131.26 1068.56 27.45 o
-2 3 1 277.84 226.56 10.45 o
-1 3 1 118.59 97.86 4.80 o
0 3 1 4606.84 4736.26 177.82 o
1 3 1 1396.18 1473.67 30.09 o
2 3 1 917.37 919.42 21.30 o
3 3 1 56.63 55.80 13.08 o
4 3 1 4.15 3.49 8.00 o
5 3 1 224.73 260.33 24.73 o
6 3 1 60.76 59.59 11.58 o
7 3 1 5.57 -12.15 21.84 o
-6 4 1 31.19 28.07 23.46 o
-5 4 1 39.80 63.71 25.06 o
-4 4 1 826.87 755.17 63.77 o
-3 4 1 161.17 152.01 9.63 o
-2 4 1 4.13 -2.08 3.65 o
-1 4 1 3276.05 3809.56 59.26 o
0 4 1 1651.18 1685.88 32.96 o
1 4 1 843.12 789.28 27.59 o
2 4 1 731.25 728.10 20.93 o
3 4 1 4.42 14.19 9.05 o
4 4 1 88.68 78.99 18.09 o
5 4 1 199.49 194.87 21.95 o
6 4 1 166.37 143.75 20.37 o
-6 5 1 58.82 96.00 30.09 o
-5 5 1 199.94 255.40 46.12 o
-4 5 1 143.32 186.24 34.47 o
-3 5 1 203.55 221.38 31.54 o
-2 5 1 138.43 133.39 20.90 o
-1 5 1 646.81 587.30 17.25 o
0 5 1 2220.26 2166.90 56.21 o
1 5 1 732.54 683.71 28.40 o
2 5 1 0.02 5.63 5.49 o
3 5 1 130.49 124.34 21.57 o
4 5 1 663.90 630.96 54.97 o
5 5 1 4.06 6.96 12.71 o
6 5 1 0.96 18.44 11.66 o
-5 6 1 154.11 190.74 36.96 o
-4 6 1 22.27 56.92 24.31 o
-3 6 1 167.18 170.03 29.46 o
-2 6 1 46.31 32.48 12.14 o
-1 6 1 44.64 57.33 6.13 o
0 6 1 1099.73 1028.51 55.16 o
1 6 1 67.47 62.22 10.31 o
2 6 1 2.01 2.26 5.36 o
3 6 1 34.01 45.05 16.30 o
4 6 1 135.21 141.20 26.50 o
5 6 1 172.41 166.69 32.63 o
6 6 1 31.67 11.93 11.28 o
-5 7 1 336.09 315.78 52.10 o
-4 7 1 51.40 78.42 26.93 o
-3 7 1 1.30 301.04 45.31 o
-2 7 1 497.40 498.44 48.68 o
-1 7 1 1857.12 1824.17 46.75 o
0 7 1 286.73 282.41 17.76 o
1 7 1 23.69 22.31 8.07 o
2 7 1 1002.78 971.29 43.66 o
3 7 1 785.82 778.18 59.04 o
4 7 1 5.61 10.97 11.53 o
5 7 1 42.80 69.95 25.03 o
6 7 1 16.14 3.21 13.70 o
-5 8 1 32.45 46.75 21.61 o
-4 8 1 91.27 65.88 24.21 o
-3 8 1 143.01 152.04 31.11 o
-2 8 1 17.60 57.31 20.03 o
-1 8 1 47.76 57.90 12.94 o
0 8 1 5.39 10.59 15.06 o
1 8 1 462.08 475.12 41.20 o
2 8 1 1215.81 1206.90 73.59 o
3 8 1 241.01 247.84 25.01 o
4 8 1 142.40 150.39 29.97 o
5 8 1 54.31 82.03 27.13 o
-4 9 1 68.11 107.69 32.52 o
-3 9 1 5.62 30.49 21.16 o
-2 9 1 1014.65 857.05 71.01 o
-1 9 1 97.46 56.41 19.16 o
0 9 1 241.42 235.41 22.49 o
1 9 1 571.00 613.15 50.56 o
2 9 1 10.04 -17.89 14.18 o
3 9 1 11.07 -0.18 11.59 o
4 9 1 32.08 13.22 16.81 o
5 9 1 19.07 7.68 21.26 o
-3 10 1 17.37 46.10 24.87 o
-2 10 1 63.94 27.20 19.75 o
-1 10 1 478.63 463.19 51.35 o
0 10 1 137.11 155.66 21.48 o
1 10 1 16.55 19.56 14.17 o
2 10 1 14.95 51.16 19.69 o
3 10 1 85.60 61.62 22.42 o
4 10 1 14.03 17.53 14.80 o
-2 11 1 3.08 1.16 17.25 o
-1 11 1 26.45 26.18 20.00 o
0 11 1 81.20 54.81 22.11 o
1 11 1 1287.82 1336.90 63.71 o
2 11 1 18.05 19.35 19.27 o
3 11 1 323.35 279.40 44.21 o
-1 12 1 192.86 184.23 37.56 o
0 12 1 9.71 9.16 16.01 o
1 12 1 49.92 18.56 18.63 o
2 12 1 33.98 21.52 17.01 o
-2 -12 2 39.60 13.77 16.20 o
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1 -12 2 0.01 -15.21 19.01 o
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0 -11 2 98.94 119.08 21.02 o
1 -11 2 138.50 119.71 30.68 o
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-1 -10 2 190.06 131.27 26.32 o
0 -10 2 341.90 333.77 29.71 o
1 -10 2 158.27 147.71 33.05 o
2 -10 2 413.05 429.70 54.24 o
3 -10 2 43.57 79.21 26.32 o
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-3 -9 2 859.85 716.91 66.61 o
-2 -9 2 432.54 363.79 44.33 o
-1 -9 2 363.98 346.11 39.54 o
0 -9 2 4007.45 3951.25 110.68 o
1 -9 2 7.09 10.04 10.03 o
2 -9 2 36.41 51.97 19.96 o
3 -9 2 6.21 43.45 26.58 o
4 -9 2 35.45 71.59 29.76 o
-5 -8 2 233.43 224.79 40.61 o
-4 -8 2 32.87 55.25 25.80 o
-3 -8 2 0.87 -16.12 13.19 o
-2 -8 2 418.03 414.34 43.73 o
-1 -8 2 40.32 13.73 13.45 o
0 -8 2 88.41 108.89 15.57 o
1 -8 2 693.51 719.34 38.79 o
2 -8 2 536.11 509.21 31.38 o
3 -8 2 5.10 68.76 23.10 o
4 -8 2 130.64 158.11 33.59 o
5 -8 2 201.76 214.16 45.70 o
-6 -7 2 0.24 11.34 18.27 o
-5 -7 2 215.24 181.41 35.22 o
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-3 -7 2 98.08 71.81 19.93 o
-2 -7 2 5.40 34.10 14.62 o
-1 -7 2 455.22 475.09 42.70 o
0 -7 2 1880.14 1977.25 76.52 o
1 -7 2 43.75 46.39 11.11 o
2 -7 2 927.25 968.05 42.15 o
3 -7 2 1049.14 1092.37 81.24 o
4 -7 2 16.28 -2.20 16.24 o
5 -7 2 78.33 115.51 32.80 o
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-4 -6 2 89.36 95.11 23.27 o
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-1 -6 2 2673.82 2952.86 114.22 o
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