#------------------------------------------------------------------------------
#$Date: 2018-01-26 09:51:48 +0200 (Fri, 26 Jan 2018) $
#$Revision: 205694 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/81/2108189.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_2108189
_cell_angle_alpha                90.000
_cell_angle_beta                 96.055
_cell_angle_gamma                90.000
_cell_length_a                   12.1963
_cell_length_b                   7.4652
_cell_length_c                   16.4793
_exptl_crystal_F_000             1032.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            lo50141a_alphasup2.hkl
_cod_data_source_block           1a_alpha
_shelx_title                     ' NItros4 in P 21/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            373.88
_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
3 0 0 6468.42 6569.46 744.55 o
4 0 0 85162.20 75727.08 3280.09 o
5 0 0 249.16 295.10 126.55 o
6 0 0 47311.45 45462.80 3096.20 o
7 0 0 4152.60 4204.91 505.98 o
8 0 0 15440.51 15493.10 919.41 o
9 0 0 2799.62 2834.09 128.07 o
10 0 0 26365.60 28414.42 1392.32 o
11 0 0 13802.31 15167.44 706.40 o
12 0 0 21892.61 24067.92 1590.38 o
13 0 0 4660.65 4763.64 413.61 o
14 0 0 6685.44 6749.50 806.33 o
2 1 0 2993.15 2952.75 158.19 o
3 1 0 338.25 378.65 35.19 o
4 1 0 35208.79 31553.60 2397.32 o
5 1 0 314.52 374.74 31.42 o
6 1 0 9287.79 9039.30 609.73 o
7 1 0 1660.51 1495.42 55.34 o
8 1 0 136.17 171.97 11.12 o
9 1 0 258.64 248.58 27.52 o
10 1 0 1416.14 1466.82 41.23 o
11 1 0 3297.44 3444.74 102.29 o
12 1 0 59.37 72.36 33.95 o
13 1 0 446.06 357.09 44.42 o
14 1 0 778.46 811.22 81.37 o
0 2 0 23288.74 22107.60 1643.41 o
1 2 0 490.85 452.46 28.75 o
2 2 0 1361.39 1339.47 64.07 o
3 2 0 378.72 481.90 36.07 o
4 2 0 37266.23 33445.59 1950.18 o
5 2 0 162.23 165.24 28.97 o
6 2 0 32623.09 30246.47 2730.44 o
7 2 0 6061.51 6187.71 556.54 o
8 2 0 16363.09 16763.16 726.77 o
9 2 0 1097.55 1209.46 50.67 o
10 2 0 12846.89 13419.87 533.86 o
11 2 0 5057.42 4908.08 178.70 o
12 2 0 4462.31 4633.58 279.89 o
13 2 0 2563.29 2276.53 255.28 o
14 2 0 1881.84 1689.03 310.90 o
1 3 0 7306.28 7165.02 291.45 o
2 3 0 1363.61 1325.25 48.82 o
3 3 0 6495.12 6093.09 256.22 o
4 3 0 1746.64 1745.28 68.69 o
5 3 0 8818.41 8542.33 427.64 o
6 3 0 28.53 53.89 22.66 o
7 3 0 23844.61 25333.08 2338.90 o
8 3 0 106.36 104.74 30.48 o
9 3 0 4298.26 4336.13 221.76 o
10 3 0 6165.91 5645.88 279.64 o
11 3 0 5454.60 5204.45 256.79 o
12 3 0 62.07 106.31 32.29 o
13 3 0 1068.90 860.29 94.35 o
0 4 0 15305.82 15117.05 765.21 o
1 4 0 7621.14 7279.04 254.49 o
2 4 0 27126.16 26712.75 1210.67 o
3 4 0 6341.70 6472.06 223.73 o
4 4 0 23127.72 23314.96 1178.63 o
5 4 0 4507.51 4605.51 141.63 o
6 4 0 12870.02 12773.56 476.30 o
7 4 0 6407.34 6326.29 233.27 o
8 4 0 14329.07 14295.73 656.53 o
9 4 0 777.30 761.01 62.77 o
10 4 0 9431.07 9366.27 699.58 o
11 4 0 981.04 854.62 84.25 o
12 4 0 2288.83 1724.61 148.71 o
1 5 0 44813.75 43598.80 1914.53 o
2 5 0 70.08 145.41 29.85 o
3 5 0 51282.82 52588.20 3746.36 o
4 5 0 733.07 652.91 65.62 o
5 5 0 12207.63 12052.64 450.29 o
6 5 0 938.81 952.95 44.37 o
7 5 0 14208.28 14354.01 564.94 o
8 5 0 1093.98 940.67 79.33 o
9 5 0 6278.76 6114.44 322.13 o
10 5 0 4022.00 3601.79 282.99 o
11 5 0 4787.47 4333.78 371.58 o
0 6 0 615.94 704.93 50.80 o
1 6 0 0.25 38.95 27.39 o
2 6 0 5134.53 5260.46 173.32 o
3 6 0 3141.97 3157.46 101.71 o
4 6 0 1090.66 1142.05 81.86 o
5 6 0 440.01 399.97 30.18 o
6 6 0 505.06 478.47 27.16 o
7 6 0 147.35 155.98 37.13 o
8 6 0 275.49 295.09 26.17 o
9 6 0 81.10 104.57 68.48 o
10 6 0 476.74 287.98 93.93 o
1 7 0 4366.97 4730.47 206.76 o
2 7 0 237.19 274.12 30.50 o
3 7 0 8842.03 8894.30 411.56 o
4 7 0 318.38 290.23 60.89 o
5 7 0 3282.51 3423.52 262.51 o
6 7 0 690.91 647.31 123.64 o
7 7 0 6901.16 7282.65 424.48 o
8 7 0 1436.04 1192.47 261.45 o
0 8 0 333.81 273.52 126.50 o
1 8 0 1.58 49.53 27.76 o
2 8 0 2.43 62.07 33.40 o
3 8 0 1.78 54.35 27.12 o
4 8 0 243.15 213.21 57.73 o
5 8 0 416.47 457.92 73.34 o
6 8 0 7.26 87.09 38.39 o
-14 1 1 103.73 86.14 31.72 o
-13 1 1 5373.35 5481.91 453.63 o
-12 1 1 866.10 927.38 52.12 o
-11 1 1 27661.42 28971.98 1918.41 o
-10 1 1 1657.46 1654.98 60.84 o
-9 1 1 11308.02 11694.15 382.53 o
-8 1 1 4724.41 4933.05 197.38 o
-7 1 1 35013.58 34595.86 1670.24 o
-6 1 1 9089.89 9076.93 280.89 o
-5 1 1 67129.99 57388.91 14683.33 o
-4 1 1 27284.25 24654.15 1356.53 o
-3 1 1 25335.89 16787.40 4176.33 o
-2 1 1 27445.49 23213.64 1908.87 o
-1 1 1 84846.14 71843.85 9698.31 o
0 1 1 50585.75 31743.14 12643.28 o
1 1 1 39593.73 35178.68 3468.39 o
2 1 1 43005.58 41361.77 3525.91 o
3 1 1 28838.30 25724.01 1890.69 o
4 1 1 26149.69 26930.67 1805.28 o
5 1 1 25969.62 25224.84 1847.41 o
6 1 1 63720.34 59188.52 1862.70 o
7 1 1 12164.59 12306.10 412.57 o
8 1 1 8428.74 8470.54 338.13 o
9 1 1 437.39 502.80 52.70 o
10 1 1 31817.17 34254.24 1395.17 o
11 1 1 5443.72 5604.96 238.15 o
12 1 1 14688.20 14941.46 691.94 o
13 1 1 128.38 131.64 43.42 o
14 1 1 8600.62 8255.21 1194.89 o
-14 2 1 1387.19 1192.44 126.98 o
-13 2 1 475.48 492.51 49.89 o
-12 2 1 2924.92 2874.72 160.53 o
-11 2 1 27.64 53.41 19.76 o
-10 2 1 3844.09 3606.88 123.58 o
-9 2 1 37.84 55.09 17.90 o
-8 2 1 7806.97 7913.47 282.80 o
-7 2 1 18.39 102.92 23.82 o
-6 2 1 3693.35 3815.97 169.45 o
-5 2 1 266.44 347.16 49.51 o
-4 2 1 19622.14 18508.77 865.51 o
-3 2 1 4182.27 4060.77 175.37 o
-2 2 1 241.33 288.73 24.79 o
-1 2 1 13411.95 13455.22 808.45 o
0 2 1 6471.91 6335.80 347.73 o
1 2 1 830.14 782.94 44.71 o
2 2 1 166.25 210.75 20.87 o
3 2 1 20363.56 19443.21 1090.45 o
4 2 1 1286.97 1356.13 91.14 o
5 2 1 8821.76 8408.98 526.03 o
6 2 1 5261.48 5349.51 350.13 o
7 2 1 529.89 474.55 34.39 o
8 2 1 1830.51 1721.59 61.61 o
9 2 1 1397.59 1463.42 58.11 o
10 2 1 33.83 45.87 17.34 o
11 2 1 1352.92 1319.99 53.05 o
12 2 1 992.16 1011.18 84.69 o
13 2 1 572.82 604.24 59.08 o
-13 3 1 6667.09 4480.22 414.44 o
-12 3 1 70.45 120.14 37.81 o
-11 3 1 15786.43 15625.30 756.56 o
-10 3 1 225.08 233.69 35.51 o
-9 3 1 17671.14 17844.70 776.81 o
-8 3 1 41.71 54.13 55.99 o
-7 3 1 24282.27 24219.59 1315.98 o
-6 3 1 78.77 75.03 26.25 o
-5 3 1 16220.94 15790.84 656.67 o
-4 3 1 8241.98 8020.28 279.51 o
-3 3 1 10808.12 9726.70 428.11 o
-2 3 1 2897.74 2916.72 118.64 o
-1 3 1 17236.91 16625.92 885.17 o
0 3 1 6695.50 6652.10 291.00 o
1 3 1 5549.94 5573.47 213.82 o
2 3 1 13565.70 13516.74 636.13 o
3 3 1 15092.74 14369.76 643.37 o
4 3 1 6673.06 6122.03 222.23 o
5 3 1 11088.54 11636.81 578.19 o
6 3 1 24518.95 23553.04 1199.80 o
7 3 1 3497.78 3383.60 121.09 o
8 3 1 12895.15 13296.88 591.47 o
9 3 1 3677.14 3705.70 149.18 o
10 3 1 8111.24 7982.51 300.86 o
11 3 1 949.57 829.03 52.54 o
12 3 1 3906.80 3722.99 280.33 o
13 3 1 34.36 90.80 34.25 o
-12 4 1 4803.04 4013.55 314.29 o
-11 4 1 139.04 78.67 28.94 o
-10 4 1 5024.16 5015.84 232.81 o
-9 4 1 1497.33 1342.07 93.91 o
-8 4 1 15223.78 15565.48 745.60 o
-7 4 1 5581.69 6076.27 226.93 o
-6 4 1 4473.45 4496.42 124.49 o
-5 4 1 16575.21 16815.36 545.15 o
-4 4 1 28021.28 27142.62 1349.62 o
-3 4 1 14538.66 14448.74 587.38 o
-2 4 1 11754.07 11590.03 418.07 o
-1 4 1 30291.81 29331.49 1592.61 o
0 4 1 25961.58 24565.80 1241.06 o
1 4 1 465.29 679.42 153.50 o
2 4 1 17171.40 16979.91 672.33 o
3 4 1 18536.14 17774.69 769.10 o
4 4 1 12561.74 12498.96 455.40 o
5 4 1 11750.67 12261.55 687.13 o
6 4 1 4751.10 4854.61 148.11 o
7 4 1 15178.56 14787.79 665.19 o
8 4 1 3045.39 2835.90 183.00 o
9 4 1 17851.76 17814.81 905.10 o
10 4 1 185.90 270.04 51.82 o
11 4 1 6721.10 6433.72 358.77 o
12 4 1 1017.18 825.37 78.56 o
-11 5 1 760.47 688.34 72.73 o
-10 5 1 1260.65 1090.97 77.99 o
-9 5 1 2122.02 2066.02 142.57 o
-8 5 1 1762.30 1498.12 97.65 o
-7 5 1 2868.24 2808.94 74.10 o
-6 5 1 1382.28 1357.77 58.51 o
-5 5 1 4359.77 4436.12 140.44 o
-4 5 1 5416.31 5435.86 167.08 o
-3 5 1 10502.36 10787.10 358.11 o
-2 5 1 4081.19 4038.31 122.24 o
-1 5 1 7812.66 8278.85 304.58 o
0 5 1 8570.98 8765.60 272.33 o
1 5 1 3854.69 3900.35 118.61 o
2 5 1 11037.86 11262.48 407.44 o
3 5 1 3241.56 3319.61 108.25 o
4 5 1 5243.17 5539.42 169.42 o
5 5 1 1582.67 1514.53 52.87 o
6 5 1 2379.76 2295.39 81.02 o
7 5 1 285.82 250.76 31.57 o
8 5 1 4617.39 4571.44 180.90 o
9 5 1 3070.49 2744.19 209.65 o
10 5 1 1862.83 1600.84 129.86 o
11 5 1 74.13 110.70 52.46 o
-10 6 1 4052.88 3594.11 819.28 o
-9 6 1 304.72 298.92 89.29 o
-8 6 1 12417.37 12311.89 936.31 o
-7 6 1 290.36 297.08 27.73 o
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-5 6 1 1077.53 986.68 43.05 o
-4 6 1 17127.53 18444.54 770.72 o
-3 6 1 3329.51 3330.99 103.31 o
-2 6 1 15086.48 15819.47 571.93 o
-1 6 1 7619.50 7752.75 229.98 o
0 6 1 7788.79 8203.84 424.87 o
1 6 1 4994.05 5259.40 186.85 o
2 6 1 6816.64 7074.47 302.34 o
3 6 1 11840.18 12716.04 558.86 o
4 6 1 3998.53 4367.31 308.88 o
5 6 1 3485.29 3668.76 135.12 o
6 6 1 1165.16 1188.87 69.64 o
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8 6 1 2343.34 2277.90 136.23 o
9 6 1 7403.98 6874.15 672.13 o
10 6 1 841.70 662.55 89.94 o
-8 7 1 130.80 98.99 70.72 o
-7 7 1 2.07 47.33 27.81 o
-6 7 1 560.92 624.21 47.32 o
-5 7 1 27.04 45.29 20.66 o
-4 7 1 4.15 44.59 21.41 o
-3 7 1 64.42 95.98 37.00 o
-2 7 1 17.27 27.64 14.45 o
-1 7 1 22.58 61.45 22.87 o
0 7 1 78.40 104.98 40.09 o
1 7 1 1004.98 1083.70 59.85 o
2 7 1 428.55 460.17 57.18 o
3 7 1 171.29 147.95 34.35 o
4 7 1 121.41 109.84 31.73 o
5 7 1 105.89 151.32 44.96 o
6 7 1 26.29 71.67 33.59 o
7 7 1 14.77 38.40 20.06 o
8 7 1 329.15 288.12 113.34 o
-6 8 1 6018.90 5895.62 641.93 o
-5 8 1 767.97 745.13 75.32 o
-4 8 1 4358.50 4638.07 367.74 o
-3 8 1 1435.47 1344.17 92.80 o
-2 8 1 3933.94 3790.77 302.11 o
-1 8 1 1987.84 1864.92 236.30 o
0 8 1 2560.48 2577.22 118.91 o
1 8 1 4225.58 4093.73 181.68 o
2 8 1 5559.47 4947.39 327.47 o
3 8 1 7252.15 6663.60 435.32 o
4 8 1 3922.25 3849.75 400.02 o
5 8 1 6540.84 5958.65 499.98 o
6 8 1 2981.42 2645.23 242.03 o
-14 0 2 1454.98 1642.11 323.94 o
-13 0 2 2012.71 1879.98 211.02 o
-12 0 2 7853.59 8437.69 362.59 o
-11 0 2 8594.86 9153.29 459.58 o
-10 0 2 7369.53 7435.02 338.71 o
-9 0 2 13248.77 13764.77 751.90 o
-8 0 2 8519.59 8864.76 384.37 o
-7 0 2 9562.38 9760.27 535.64 o
-6 0 2 2467.20 2609.92 132.81 o
-4 0 2 25161.67 23456.96 1918.47 o
-3 0 2 46216.12 43406.75 3186.15 o
-2 0 2 2034.14 2144.11 193.47 o
2 0 2 562.58 517.70 54.19 o
3 0 2 35483.32 30604.21 3085.97 o
4 0 2 1070.31 1098.86 127.73 o
5 0 2 71746.81 64928.46 2787.07 o
6 0 2 2267.36 2293.22 225.71 o
7 0 2 47349.99 45565.16 1968.79 o
8 0 2 1747.44 1784.94 111.44 o
9 0 2 32529.54 32666.52 1868.71 o
10 0 2 2070.61 2142.26 110.99 o
11 0 2 40089.25 40481.86 2189.57 o
12 0 2 6814.73 6705.82 557.92 o
13 0 2 16526.56 17267.54 2412.66 o
14 0 2 2217.17 2115.31 534.50 o
-14 1 2 6.30 53.12 24.56 o
-13 1 2 120.10 104.66 30.32 o
-12 1 2 324.83 407.65 41.40 o
-11 1 2 2897.23 2947.54 97.02 o
-10 1 2 364.21 384.01 21.83 o
-9 1 2 10492.82 11018.65 341.04 o
-8 1 2 511.03 549.18 44.97 o
-7 1 2 5456.67 5694.88 241.34 o
-6 1 2 1708.77 1711.97 51.07 o
-5 1 2 12022.97 11711.39 467.18 o
-4 1 2 1905.23 1853.57 65.95 o
-3 1 2 10505.72 10700.59 527.52 o
-2 1 2 974.09 1133.64 66.29 o
-1 1 2 5781.52 5708.32 338.08 o
0 1 2 1148.96 1355.43 77.60 o
1 1 2 6722.93 6703.87 446.98 o
2 1 2 3911.29 3850.80 231.77 o
3 1 2 1157.87 1015.07 52.44 o
4 1 2 86.09 142.44 17.96 o
5 1 2 133.57 179.75 22.84 o
6 1 2 4596.67 4775.05 238.67 o
7 1 2 9894.03 9796.16 589.17 o
8 1 2 2595.23 2633.79 110.15 o
9 1 2 958.84 889.19 52.42 o
10 1 2 3781.88 3843.55 134.98 o
11 1 2 461.10 413.62 26.09 o
12 1 2 827.74 797.64 32.80 o
13 1 2 7.12 63.23 24.49 o
14 1 2 89.92 150.10 48.47 o
-14 2 2 3626.86 3183.99 438.40 o
-13 2 2 5684.00 5521.37 299.22 o
-12 2 2 9789.02 10279.83 450.78 o
-11 2 2 14557.21 14903.15 707.92 o
-10 2 2 5602.80 5929.85 203.42 o
-9 2 2 28975.83 29843.54 1518.60 o
-8 2 2 7177.58 7052.76 213.44 o
-7 2 2 16597.91 16945.15 653.07 o
-6 2 2 2509.42 2443.01 116.97 o
-5 2 2 48953.79 48104.36 1718.49 o
-4 2 2 1827.51 1714.30 104.52 o
-3 2 2 3952.65 3903.83 174.84 o
-2 2 2 1353.70 1389.04 65.42 o
-1 2 2 32313.15 30348.23 1968.98 o
0 2 2 7693.19 8149.42 462.27 o
1 2 2 67163.48 63117.30 1903.56 o
2 2 2 2602.31 2594.31 226.71 o
3 2 2 50874.29 48887.64 1736.26 o
4 2 2 1.27 80.56 63.22 o
5 2 2 41778.61 38316.04 1813.59 o
6 2 2 2707.87 2707.26 122.09 o
7 2 2 16123.57 16239.89 795.11 o
8 2 2 2168.18 2121.26 117.29 o
9 2 2 9558.55 9387.85 401.81 o
10 2 2 609.14 565.29 40.68 o
11 2 2 6866.36 6568.77 271.33 o
12 2 2 3150.56 2890.31 178.10 o
13 2 2 2338.42 2247.59 225.52 o
-13 3 2 469.84 317.53 56.25 o
-12 3 2 7548.21 6909.62 454.80 o
-11 3 2 1663.62 1508.49 92.94 o
-10 3 2 7052.44 7063.60 257.69 o
-9 3 2 2221.17 2183.32 75.46 o
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-7 3 2 2160.73 2097.11 68.94 o
-6 3 2 15202.22 15270.07 501.18 o
-5 3 2 48.04 63.60 15.23 o
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0 3 2 8716.90 8853.90 367.01 o
1 3 2 12.59 54.02 15.17 o
2 3 2 32038.15 30282.95 1725.05 o
3 3 2 178.98 194.74 17.37 o
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5 3 2 12582.68 12723.12 495.45 o
6 3 2 17002.54 16954.06 773.31 o
7 3 2 47.90 95.33 40.83 o
8 3 2 3149.53 3168.13 189.55 o
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10 3 2 3899.58 3784.28 170.92 o
11 3 2 586.93 536.84 47.04 o
12 3 2 1211.06 1163.55 71.14 o
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-10 4 2 2261.34 2214.49 159.56 o
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-6 4 2 15461.75 16018.70 549.30 o
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-4 4 2 3961.30 3965.80 149.22 o
-3 4 2 23125.40 23586.32 1033.04 o
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-1 4 2 21259.44 20755.35 940.39 o
0 4 2 114.64 132.97 35.38 o
1 4 2 16411.38 16355.47 708.35 o
2 4 2 815.35 669.94 37.63 o
3 4 2 17537.62 17750.65 719.74 o
4 4 2 1319.14 1330.83 80.78 o
5 4 2 15912.86 16560.72 591.29 o
6 4 2 63.16 56.81 19.73 o
7 4 2 11561.55 11595.03 619.06 o
8 4 2 38.63 57.80 29.21 o
9 4 2 13201.02 14039.21 1036.98 o
10 4 2 49.51 84.22 43.21 o
11 4 2 6278.36 6554.66 690.13 o
12 4 2 1372.99 1209.34 199.29 o
-11 5 2 1636.19 1256.58 123.98 o
-10 5 2 1211.40 995.30 113.75 o
-9 5 2 4533.16 4023.59 335.38 o
-8 5 2 9786.77 10175.13 549.14 o
-7 5 2 4247.57 4342.40 151.57 o
-6 5 2 10578.99 10816.37 335.86 o
-5 5 2 4584.03 4678.33 149.53 o
-4 5 2 17707.52 19264.09 651.90 o
-3 5 2 5045.65 5076.04 165.32 o
-2 5 2 40365.56 40656.91 1598.27 o
-1 5 2 2240.03 2291.27 98.64 o
0 5 2 17821.60 18240.57 682.83 o
1 5 2 350.80 360.51 28.28 o
2 5 2 36538.52 37470.20 1609.29 o
3 5 2 997.23 903.73 55.29 o
4 5 2 13187.65 13185.51 450.11 o
5 5 2 172.55 218.63 25.37 o
6 5 2 9530.16 9878.96 353.83 o
7 5 2 529.82 580.14 46.35 o
8 5 2 13204.83 13326.30 561.52 o
9 5 2 1978.25 1764.54 149.02 o
10 5 2 14102.19 12239.25 1187.68 o
11 5 2 767.84 642.51 101.89 o
-10 6 2 15.50 72.07 49.79 o
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