#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:11:40 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199103 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020824.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_2020824
_cell_angle_alpha                90.000
_cell_angle_beta                 115.398
_cell_angle_gamma                90.000
_cell_length_a                   7.9818
_cell_length_b                   26.7046
_cell_length_c                   9.2220
_exptl_crystal_F_000             1184.00
_reflns_d_resolution_high        0.7594
_cod_data_source_file            yp3130db146sup2.hkl
_cod_data_source_block           db146
_shelx_title                     ' db146 in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            402.59
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 6146.21 6593.15 173.58 o
3 0 0 23715.21 23057.34 367.28 o
4 0 0 35543.25 33992.57 536.52 o
5 0 0 1023.27 1056.22 68.85 o
6 0 0 4598.43 4458.78 136.92 o
7 0 0 6420.33 6167.20 229.20 o
8 0 0 5428.55 5517.47 196.24 o
9 0 0 1878.50 1688.63 144.75 o
1 1 0 845.74 971.08 26.77 o
2 1 0 29846.70 27404.75 425.65 o
3 1 0 15786.79 15837.80 193.30 o
4 1 0 11555.52 11590.31 143.71 o
5 1 0 15863.84 15255.15 188.17 o
6 1 0 9.70 42.28 19.99 o
7 1 0 4634.78 4808.40 119.29 o
8 1 0 250.92 379.38 42.47 o
9 1 0 71.18 64.23 33.20 o
0 2 0 10788.91 10105.50 343.52 o
1 2 0 16480.95 15269.91 307.72 o
2 2 0 18594.75 18555.88 294.61 o
3 2 0 15833.73 15498.92 189.36 o
4 2 0 44503.98 41134.98 454.53 o
5 2 0 2932.87 3027.61 54.85 o
6 2 0 31610.00 29707.83 392.02 o
7 2 0 782.98 841.98 54.21 o
8 2 0 3912.93 3885.21 140.16 o
9 2 0 1199.57 1121.07 73.56 o
1 3 0 64699.39 45753.25 1159.73 o
2 3 0 1324.98 1455.38 84.47 o
3 3 0 27769.97 26956.10 318.52 o
4 3 0 1282.13 1370.01 46.52 o
5 3 0 741.76 838.60 34.20 o
6 3 0 3975.41 4074.58 83.48 o
7 3 0 664.02 747.09 51.49 o
8 3 0 4873.26 4710.98 126.30 o
9 3 0 1385.42 1314.30 100.10 o
0 4 0 208.78 223.97 55.48 o
1 4 0 491.92 599.58 72.18 o
2 4 0 6093.41 6675.11 119.77 o
3 4 0 11528.81 11722.73 150.51 o
4 4 0 178.88 225.58 14.53 o
5 4 0 5600.27 5761.72 93.55 o
6 4 0 3.71 9.51 14.11 o
7 4 0 379.01 389.82 43.17 o
8 4 0 216.43 246.49 36.94 o
9 4 0 159.17 151.83 36.22 o
1 5 0 12286.06 12022.03 276.24 o
2 5 0 2169.11 2443.48 51.11 o
3 5 0 15968.42 15520.60 218.31 o
4 5 0 442.86 606.64 23.71 o
5 5 0 14000.33 14019.40 187.97 o
6 5 0 111.78 113.71 21.73 o
7 5 0 2683.02 2732.04 86.80 o
8 5 0 105.77 96.78 29.67 o
9 5 0 330.17 290.52 44.14 o
0 6 0 474.58 589.76 62.32 o
1 6 0 1177.43 1196.77 56.76 o
2 6 0 1643.41 1738.54 49.40 o
3 6 0 5074.71 5231.10 88.64 o
4 6 0 39.10 79.58 12.23 o
5 6 0 7779.63 7868.53 121.13 o
6 6 0 1.51 54.24 16.65 o
7 6 0 3079.23 3091.50 113.75 o
8 6 0 2.36 34.33 23.71 o
9 6 0 1072.83 1025.05 68.41 o
1 7 0 5405.19 5731.84 136.08 o
2 7 0 0.74 18.56 8.82 o
3 7 0 45.49 71.91 17.35 o
4 7 0 309.73 355.94 21.04 o
5 7 0 1290.71 1355.25 43.93 o
6 7 0 5281.83 5427.32 103.47 o
7 7 0 1085.42 1109.86 51.70 o
8 7 0 1671.69 1715.75 81.36 o
9 7 0 10.94 36.02 31.98 o
0 8 0 0.07 -3.41 25.84 o
1 8 0 3337.67 3565.61 83.23 o
2 8 0 6149.63 6645.23 110.70 o
3 8 0 4994.52 5473.06 92.67 o
4 8 0 10587.70 10912.55 140.88 o
5 8 0 399.18 382.13 24.09 o
6 8 0 11305.88 11238.16 167.19 o
7 8 0 691.13 739.35 43.18 o
8 8 0 826.41 823.45 57.65 o
9 8 0 1028.88 1163.35 112.09 o
1 9 0 11700.56 11532.53 161.94 o
2 9 0 20764.90 20516.30 301.13 o
3 9 0 42.64 65.57 12.66 o
4 9 0 14676.73 14298.11 186.04 o
5 9 0 3206.79 3148.47 63.02 o
6 9 0 1302.62 1439.82 51.21 o
7 9 0 130.19 142.95 25.21 o
8 9 0 318.64 349.22 64.34 o
9 9 0 876.47 963.57 88.30 o
0 10 0 127634.89 98305.96 1655.66 o
1 10 0 9913.33 10440.29 149.84 o
2 10 0 30221.72 28468.54 380.94 o
3 10 0 13513.54 13188.09 169.90 o
4 10 0 4100.88 4270.84 72.69 o
5 10 0 80.15 106.07 18.33 o
6 10 0 43.61 56.36 17.63 o
7 10 0 6618.45 6302.20 125.32 o
8 10 0 2247.76 2290.76 98.26 o
9 10 0 1683.73 1578.27 110.87 o
1 11 0 829.89 947.23 25.91 o
2 11 0 7848.12 7344.54 116.77 o
3 11 0 9179.97 8747.74 120.60 o
4 11 0 4749.30 4705.98 84.53 o
5 11 0 26173.31 25600.13 343.58 o
6 11 0 198.42 291.78 26.44 o
7 11 0 5872.89 5928.60 119.46 o
8 11 0 1762.52 1858.10 91.41 o
9 11 0 324.17 376.02 95.16 o
0 12 0 2495.71 2335.50 63.62 o
1 12 0 13979.57 13879.12 186.81 o
2 12 0 7559.49 7867.83 116.63 o
3 12 0 12813.98 12576.82 186.56 o
4 12 0 31376.51 30699.42 423.56 o
5 12 0 3339.16 3437.49 80.17 o
6 12 0 20260.49 19647.19 265.97 o
7 12 0 968.32 1120.87 54.75 o
8 12 0 1844.77 1868.45 98.44 o
1 13 0 140962.23 108339.19 1955.64 o
2 13 0 2274.03 2166.47 42.72 o
3 13 0 33596.34 31620.52 377.33 o
4 13 0 2201.48 2188.23 58.12 o
5 13 0 5654.25 5654.48 111.87 o
6 13 0 3493.80 3457.78 82.35 o
7 13 0 1585.22 1667.88 69.06 o
8 13 0 3024.35 2850.86 151.82 o
0 14 0 6680.75 7237.35 136.93 o
1 14 0 2183.58 2250.66 44.08 o
2 14 0 2753.31 2982.68 49.96 o
3 14 0 7206.54 7692.68 112.02 o
4 14 0 3325.73 3398.26 105.95 o
5 14 0 2618.93 2531.85 72.72 o
6 14 0 1252.35 1367.24 64.11 o
7 14 0 225.73 311.95 34.63 o
8 14 0 518.38 469.95 47.17 o
1 15 0 18160.70 17922.79 223.81 o
2 15 0 11993.85 12698.28 166.35 o
3 15 0 24601.59 23883.89 482.47 o
4 15 0 2070.67 2024.82 60.70 o
5 15 0 25754.52 24742.29 387.47 o
6 15 0 199.52 189.59 27.92 o
7 15 0 6226.68 6226.61 127.06 o
8 15 0 500.00 548.51 51.42 o
0 16 0 24182.04 22803.23 373.57 o
1 16 0 995.57 1151.10 32.59 o
2 16 0 21006.54 20558.56 244.06 o
3 16 0 28.69 64.18 16.74 o
4 16 0 2631.05 2731.53 73.29 o
5 16 0 578.46 629.50 42.53 o
6 16 0 942.35 997.61 54.36 o
7 16 0 640.41 720.28 47.16 o
8 16 0 316.83 338.64 42.16 o
1 17 0 11582.19 11574.41 156.27 o
2 17 0 1001.73 1069.41 35.53 o
3 17 0 4863.33 4854.92 102.96 o
4 17 0 640.53 836.57 90.12 o
5 17 0 4080.65 4091.51 101.27 o
6 17 0 1121.21 1163.95 98.33 o
7 17 0 728.50 756.18 47.93 o
8 17 0 333.79 285.21 45.83 o
0 18 0 11053.19 11568.51 209.86 o
1 18 0 95.95 90.75 12.44 o
2 18 0 11317.52 11596.04 161.41 o
3 18 0 101.64 163.80 22.46 o
4 18 0 3178.99 3122.14 82.18 o
5 18 0 358.11 412.07 37.20 o
6 18 0 1466.45 1484.76 98.23 o
7 18 0 1271.35 1254.15 63.00 o
8 18 0 621.90 633.83 66.56 o
1 19 0 3421.10 3500.81 61.76 o
2 19 0 3969.48 4055.88 92.35 o
3 19 0 31.49 37.08 16.67 o
4 19 0 3814.77 4118.44 99.29 o
5 19 0 75.12 69.07 25.82 o
6 19 0 351.78 369.51 39.31 o
7 19 0 269.17 295.01 34.86 o
0 20 0 16574.75 16207.53 284.17 o
1 20 0 2433.88 2385.08 49.09 o
2 20 0 234.79 281.83 26.28 o
3 20 0 1828.04 1868.90 69.30 o
4 20 0 2106.63 2220.94 71.10 o
5 20 0 14.11 53.65 23.39 o
6 20 0 1897.77 1823.55 81.91 o
7 20 0 947.57 961.23 59.41 o
1 21 0 42.20 50.86 13.27 o
2 21 0 4424.18 4486.89 89.89 o
3 21 0 1984.70 2055.56 60.74 o
4 21 0 10.79 94.81 21.96 o
5 21 0 6418.89 6362.03 141.21 o
6 21 0 1031.47 1009.83 61.53 o
7 21 0 1709.88 1701.53 79.25 o
0 22 0 4384.59 4242.98 93.71 o
1 22 0 10315.06 10173.61 140.01 o
2 22 0 2007.01 1867.77 56.53 o
3 22 0 6610.41 6539.45 121.23 o
4 22 0 2746.08 2601.63 80.60 o
5 22 0 3810.41 3772.73 103.01 o
6 22 0 1435.70 1547.92 75.95 o
7 22 0 15.61 11.76 24.77 o
1 23 0 18981.16 18388.78 257.91 o
2 23 0 4018.52 4002.24 86.46 o
3 23 0 4404.07 4440.08 106.00 o
4 23 0 2715.67 2841.72 81.42 o
5 23 0 0.05 -12.66 19.74 o
6 23 0 65.81 73.21 27.97 o
7 23 0 29.28 23.73 28.04 o
0 24 0 570.43 602.94 42.39 o
1 24 0 547.00 661.03 43.45 o
2 24 0 26.79 58.40 16.60 o
3 24 0 3437.91 3401.91 82.17 o
4 24 0 4245.15 4157.85 101.81 o
5 24 0 73.50 113.59 28.65 o
6 24 0 4514.44 4423.01 121.54 o
1 25 0 477.76 504.51 33.87 o
2 25 0 4404.30 4386.57 94.74 o
3 25 0 6420.09 6519.86 126.00 o
4 25 0 2317.93 2271.85 77.06 o
5 25 0 10622.99 10577.18 197.86 o
6 25 0 3.45 6.97 24.91 o
0 26 0 23327.87 22706.88 541.38 o
1 26 0 34.18 72.08 20.37 o
2 26 0 12983.21 12936.74 220.44 o
3 26 0 1706.59 1755.70 68.41 o
4 26 0 3133.73 3180.82 90.83 o
5 26 0 212.04 209.55 32.87 o
6 26 0 945.84 919.59 62.91 o
1 27 0 4815.05 4740.42 101.36 o
2 27 0 788.29 891.60 60.57 o
3 27 0 293.51 297.30 34.44 o
4 27 0 1267.23 1255.44 64.38 o
5 27 0 15.46 -8.94 22.16 o
6 27 0 8.48 32.39 29.08 o
0 28 0 8406.80 8268.62 208.30 o
1 28 0 0.34 61.88 20.00 o
2 28 0 7471.72 7095.95 146.61 o
3 28 0 478.61 450.99 40.21 o
4 28 0 5391.82 5064.42 131.79 o
5 28 0 252.21 203.50 36.48 o
1 29 0 124.75 114.27 22.45 o
2 29 0 455.32 579.40 44.87 o
3 29 0 655.25 668.90 49.61 o
4 29 0 274.94 243.47 37.31 o
5 29 0 205.33 203.77 37.43 o
0 30 0 2209.51 2465.73 111.68 o
1 30 0 338.30 327.24 35.65 o
2 30 0 2847.22 2828.72 89.42 o
3 30 0 146.34 150.04 30.06 o
4 30 0 3978.76 3691.91 113.20 o
1 31 0 3026.22 3087.00 93.85 o
2 31 0 40.29 76.31 23.92 o
3 31 0 906.15 1066.37 64.10 o
4 31 0 1.07 5.69 24.44 o
0 32 0 3361.79 3353.51 156.97 o
1 32 0 528.06 592.51 47.40 o
2 32 0 923.98 867.10 61.09 o
3 32 0 1417.77 1304.40 70.88 o
1 33 0 691.70 713.53 54.49 o
2 33 0 582.11 593.24 50.78 o
3 33 0 284.09 263.83 38.48 o
0 34 0 592.80 652.04 84.77 o
1 34 0 351.88 330.93 40.69 o
2 34 0 79.81 64.79 26.88 o
-9 1 1 922.99 843.54 63.82 o
-8 1 1 4025.06 4036.44 112.77 o
-7 1 1 1848.42 1986.04 65.09 o
-6 1 1 3190.45 3366.69 75.29 o
-5 1 1 7248.31 7434.97 102.88 o
-4 1 1 3011.04 3152.23 50.96 o
-3 1 1 18401.97 18300.23 220.66 o
-2 1 1 44255.94 38784.84 620.67 o
-1 1 1 15725.78 15071.80 280.36 o
0 1 1 8640.18 7949.82 163.33 o
1 1 1 426.99 476.32 18.87 o
2 1 1 8033.94 8188.76 120.07 o
3 1 1 17.79 10.25 8.03 o
4 1 1 1649.79 1749.07 53.25 o
5 1 1 782.10 875.03 41.46 o
6 1 1 34.09 51.24 20.76 o
7 1 1 859.33 931.79 61.62 o
8 1 1 34.39 26.53 26.82 o
9 1 1 486.41 457.27 55.42 o
-9 2 1 17.35 10.20 26.35 o
-8 2 1 5235.26 5024.79 143.33 o
-7 2 1 136.61 140.33 24.63 o
-6 2 1 15611.50 15053.48 203.86 o
-5 2 1 1671.09 1802.06 44.17 o
-4 2 1 3087.27 2966.47 49.09 o
-3 2 1 94.67 114.64 9.81 o
-2 2 1 5249.54 5813.77 103.00 o
-1 2 1 25387.37 22640.98 714.75 o
0 2 1 6675.44 6256.29 152.69 o
1 2 1 27942.34 25736.71 702.73 o
2 2 1 23948.91 23156.08 316.75 o
3 2 1 18488.37 18822.37 228.90 o
4 2 1 586.34 580.83 24.30 o
5 2 1 624.90 702.03 32.33 o
6 2 1 283.71 340.19 37.54 o
7 2 1 117.04 143.65 29.42 o
8 2 1 1643.48 1852.42 85.26 o
9 2 1 675.78 786.83 67.51 o
-9 3 1 619.03 646.60 57.11 o
-8 3 1 1600.67 1712.72 100.61 o
-7 3 1 2056.26 2103.02 70.80 o
-6 3 1 12574.14 12741.19 177.98 o
-5 3 1 1208.31 1402.86 39.15 o
-4 3 1 59125.21 52323.70 542.74 o
-3 3 1 9614.56 10142.02 124.05 o
-2 3 1 3019.10 3171.97 73.18 o
-1 3 1 5528.54 5817.13 109.37 o
0 3 1 6049.70 5972.64 99.93 o
1 3 1 135.96 177.63 45.45 o
2 3 1 15154.45 15218.60 197.31 o
3 3 1 8405.97 9078.16 114.41 o
4 3 1 31376.48 30145.02 360.32 o
5 3 1 29.57 54.34 17.92 o
6 3 1 17753.09 16753.60 258.88 o
7 3 1 1607.95 1862.84 78.97 o
8 3 1 3703.32 3636.16 105.60 o
9 3 1 676.40 725.89 66.69 o
-9 4 1 2280.57 1931.77 127.55 o
-8 4 1 415.27 452.79 43.84 o
-7 4 1 1.60 35.91 20.36 o
-6 4 1 462.31 483.52 28.65 o
-5 4 1 7088.56 7441.28 111.98 o
-4 4 1 18704.15 18897.46 210.88 o
-3 4 1 3236.37 3472.96 55.61 o
-2 4 1 67981.08 53728.71 1313.45 o
-1 4 1 10.04 17.02 16.55 o
0 4 1 14019.87 13018.52 366.82 o
1 4 1 6434.78 7047.31 152.66 o
2 4 1 9123.04 9716.21 132.53 o
3 4 1 509.29 633.31 20.16 o
4 4 1 5803.37 6099.79 92.29 o
5 4 1 9880.12 9800.82 150.89 o
6 4 1 172.69 211.51 24.18 o
7 4 1 3777.61 3672.61 126.69 o
8 4 1 642.00 749.57 56.51 o
9 4 1 125.26 109.69 42.43 o
-9 5 1 3207.30 3011.79 110.68 o
-8 5 1 1395.93 1537.63 78.14 o
-7 5 1 10168.25 10091.44 180.72 o
-6 5 1 430.37 455.82 28.04 o
-5 5 1 7606.20 7812.32 116.72 o
-4 5 1 5266.56 5303.58 73.20 o
-3 5 1 36.20 106.78 10.37 o
-2 5 1 69167.17 53288.14 1779.72 o
-1 5 1 682.17 738.55 29.67 o
1 5 1 23942.50 23355.10 446.86 o
2 5 1 162074.75 115750.20 5232.36 o
3 5 1 30266.79 29216.94 312.70 o
4 5 1 19759.85 19245.24 218.96 o
5 5 1 7647.95 7661.70 119.72 o
6 5 1 2024.09 2079.91 65.91 o
7 5 1 1222.15 1280.98 65.62 o
8 5 1 4433.24 4501.11 120.03 o
-9 6 1 12.50 17.96 26.45 o
-8 6 1 1953.90 1969.21 94.96 o
-7 6 1 7647.81 7741.99 137.62 o
-6 6 1 202.98 270.93 23.24 o
-5 6 1 28125.96 27309.20 319.27 o
-4 6 1 10448.10 10327.40 131.21 o
-3 6 1 31386.28 30075.79 374.86 o
-2 6 1 27157.15 25973.84 455.62 o
-1 6 1 29.83 36.21 11.03 o
0 6 1 12500.58 12054.36 256.56 o
1 6 1 196.92 307.12 18.07 o
2 6 1 7239.31 7557.43 106.56 o
3 6 1 8163.22 8321.60 108.38 o
4 6 1 6651.58 6828.42 89.26 o
5 6 1 25603.41 24103.80 305.91 o
6 6 1 299.61 384.15 29.97 o
7 6 1 8918.13 8783.73 171.75 o
8 6 1 1426.08 1536.85 87.54 o
-9 7 1 61.71 36.03 28.91 o
-8 7 1 3087.26 3086.17 106.04 o
-7 7 1 404.01 424.30 32.35 o
-6 7 1 17053.54 16802.55 230.66 o
-5 7 1 3879.54 4182.63 72.29 o
-4 7 1 56135.40 51519.46 565.04 o
-3 7 1 46783.64 41476.94 509.38 o
-2 7 1 23716.80 23226.66 642.10 o
-1 7 1 45688.27 37647.93 2471.34 o
0 7 1 3488.51 3830.43 61.05 o
1 7 1 787.10 944.98 29.13 o
2 7 1 12922.24 13088.01 173.74 o
3 7 1 6584.81 6804.88 96.69 o
4 7 1 28796.78 27372.24 303.68 o
5 7 1 370.88 479.89 28.94 o
6 7 1 22277.99 21154.41 298.81 o
7 7 1 1051.88 1119.01 59.35 o
8 7 1 4499.59 4456.14 140.86 o
-9 8 1 2319.28 2457.04 137.36 o
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-7 8 1 1548.98 1531.20 58.86 o
-6 8 1 10171.08 10297.37 163.30 o
-5 8 1 931.23 943.70 42.65 o
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0 8 1 6850.17 6803.61 117.81 o
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3 8 1 42918.13 40911.64 508.04 o
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5 8 1 13772.97 13440.88 188.14 o
6 8 1 637.11 647.21 42.55 o
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8 8 1 1166.02 984.30 68.98 o
-9 9 1 56.17 45.65 30.79 o
-8 9 1 1597.96 1695.62 78.16 o
-7 9 1 150.55 150.10 29.44 o
-6 9 1 224.94 257.61 24.26 o
-5 9 1 594.95 635.36 37.49 o
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-3 9 1 42668.58 40159.72 536.83 o
-2 9 1 3973.33 4309.84 74.36 o
-1 9 1 15049.01 14733.71 202.14 o
0 9 1 26501.92 24921.69 444.13 o
1 9 1 5141.42 5632.90 83.76 o
2 9 1 7326.44 8077.67 124.12 o
3 9 1 3866.80 4132.68 73.60 o
4 9 1 187.31 223.32 20.13 o
5 9 1 1229.66 1325.39 62.28 o
6 9 1 38.84 63.64 20.34 o
7 9 1 26.19 66.06 23.37 o
8 9 1 68.98 82.21 33.58 o
-9 10 1 952.98 1087.59 79.46 o
-8 10 1 0.57 -2.56 21.57 o
-7 10 1 3766.47 3693.69 86.91 o
-6 10 1 636.88 681.96 37.26 o
-5 10 1 19229.48 19194.21 249.31 o
-4 10 1 4282.40 4622.16 79.87 o
-3 10 1 23722.81 22766.90 339.59 o
-2 10 1 13339.66 13401.07 227.82 o
-1 10 1 21636.20 20685.41 261.62 o
0 10 1 8872.27 8721.59 107.43 o
1 10 1 13258.85 13309.85 174.76 o
2 10 1 248.49 316.86 27.64 o
3 10 1 25881.39 25801.02 332.40 o
4 10 1 795.26 875.05 37.03 o
5 10 1 17149.65 16753.93 214.52 o
6 10 1 156.96 172.71 25.10 o
7 10 1 11014.67 10387.46 190.93 o
8 10 1 129.00 118.18 35.07 o
-9 11 1 2067.67 2038.75 132.71 o
-8 11 1 837.21 827.89 54.27 o
-7 11 1 6193.56 6111.56 119.45 o
-6 11 1 881.78 906.37 42.02 o
-5 11 1 4894.26 5202.56 90.15 o
-4 11 1 2.94 23.31 10.39 o
-3 11 1 15577.90 16199.56 251.66 o
-2 11 1 467.59 492.56 21.26 o
-1 11 1 8479.93 8501.81 119.71 o
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