#------------------------------------------------------------------------------
#$Date: 2016-04-28 05:17:47 +0300 (Thu, 28 Apr 2016) $
#$Revision: 182313 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/31/1543173.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_1543173
_cell_angle_alpha                90.000
_cell_angle_beta                 91.806
_cell_angle_gamma                90.000
_cell_length_a                   8.9885
_cell_length_b                   15.4297
_cell_length_c                   11.4182
_exptl_crystal_F_000             808.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            lh4006Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' ym156P21n in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            182.82
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
2 0 0 19192.14 20060.98 1757.14 o
4 0 0 12750.84 13071.49 1130.59 o
6 0 0 2777.41 3011.66 323.76 o
8 0 0 32.23 33.34 28.41 o
10 0 0 501.11 395.79 82.67 o
1 1 0 1527.00 1519.91 81.67 o
2 1 0 8227.37 8826.39 458.03 o
3 1 0 3792.49 4248.09 252.43 o
4 1 0 2621.88 2666.81 183.16 o
5 1 0 74.39 80.91 13.96 o
6 1 0 1594.14 1626.36 121.80 o
7 1 0 1116.52 1191.31 73.33 o
8 1 0 2485.34 2422.53 123.96 o
9 1 0 631.58 626.82 59.68 o
10 1 0 1189.36 1120.39 79.89 o
11 1 0 247.78 224.06 55.44 o
0 2 0 6384.10 7400.55 74.44 o
1 2 0 9542.40 9824.91 462.44 o
2 2 0 6296.73 6466.08 343.49 o
3 2 0 2230.94 2064.15 109.26 o
4 2 0 3772.19 3769.28 202.89 o
5 2 0 245.85 185.56 17.03 o
6 2 0 2311.48 2388.22 147.87 o
7 2 0 332.60 319.28 30.90 o
8 2 0 2466.14 2402.65 136.57 o
9 2 0 10.95 14.71 28.05 o
10 2 0 4.54 8.78 38.48 o
11 2 0 355.85 300.89 59.16 o
1 3 0 5105.06 5588.38 230.10 o
2 3 0 287.65 333.93 19.05 o
3 3 0 352.07 453.45 24.26 o
4 3 0 137.71 162.39 13.92 o
5 3 0 883.74 891.13 70.38 o
6 3 0 7.53 6.73 14.12 o
7 3 0 200.10 189.90 27.42 o
8 3 0 925.30 800.48 52.32 o
9 3 0 869.67 844.02 69.80 o
10 3 0 50.82 36.68 41.40 o
0 4 0 293.44 301.58 24.28 o
1 4 0 89.63 73.58 8.24 o
2 4 0 990.68 871.29 44.50 o
3 4 0 8373.97 7580.90 382.01 o
4 4 0 1008.60 955.24 29.28 o
5 4 0 2723.85 2555.50 157.52 o
6 4 0 743.86 747.15 62.34 o
7 4 0 848.67 824.84 45.82 o
8 4 0 449.75 391.75 37.59 o
9 4 0 654.85 620.19 53.24 o
10 4 0 225.13 206.80 42.37 o
1 5 0 399.00 412.03 17.43 o
2 5 0 682.51 789.02 34.31 o
3 5 0 763.25 725.85 44.00 o
4 5 0 1792.31 1996.12 137.45 o
5 5 0 478.97 409.19 30.05 o
6 5 0 1085.05 1094.72 93.16 o
7 5 0 87.96 93.13 24.51 o
8 5 0 145.30 138.42 30.17 o
9 5 0 478.60 511.24 47.07 o
10 5 0 198.21 230.84 43.24 o
1 6 0 1496.52 1655.38 49.74 o
2 6 0 5428.05 5581.45 180.45 o
3 6 0 171.78 159.79 12.39 o
4 6 0 7640.51 7930.89 271.30 o
5 6 0 284.98 254.81 26.12 o
6 6 0 2778.37 2671.99 189.91 o
7 6 0 134.15 106.54 27.19 o
8 6 0 3505.13 3305.37 266.83 o
9 6 0 8.56 7.78 30.76 o
10 6 0 1026.32 1027.14 67.31 o
1 7 0 116.80 120.38 13.96 o
2 7 0 115.65 131.54 14.44 o
3 7 0 2099.81 2058.76 119.03 o
4 7 0 65.83 103.18 19.93 o
5 7 0 386.04 344.61 29.61 o
6 7 0 615.29 571.11 51.80 o
7 7 0 437.28 438.08 39.68 o
8 7 0 278.90 288.42 39.26 o
9 7 0 2.89 5.39 32.09 o
10 7 0 491.10 525.72 55.30 o
0 8 0 1562.35 1676.38 47.56 o
1 8 0 337.58 331.71 26.10 o
2 8 0 5743.13 5986.38 294.40 o
3 8 0 3784.04 3735.40 253.73 o
4 8 0 2280.59 2292.20 120.79 o
5 8 0 767.32 748.89 41.58 o
6 8 0 1239.76 1168.21 58.95 o
7 8 0 172.83 144.43 30.50 o
8 8 0 1126.15 1039.33 65.07 o
9 8 0 735.72 710.70 57.43 o
10 8 0 80.18 100.79 41.43 o
1 9 0 647.17 714.45 31.40 o
2 9 0 708.86 778.48 31.80 o
3 9 0 946.32 893.25 51.56 o
4 9 0 162.83 165.97 32.25 o
5 9 0 36.65 30.37 27.84 o
6 9 0 725.11 711.91 46.27 o
7 9 0 967.89 948.93 76.89 o
8 9 0 7.80 12.22 30.80 o
9 9 0 569.41 474.36 52.34 o
0 10 0 538.92 593.08 37.62 o
1 10 0 2910.30 2970.11 68.08 o
2 10 0 44.81 54.68 17.45 o
3 10 0 2687.91 2670.89 143.92 o
4 10 0 109.00 95.82 30.73 o
5 10 0 3856.40 3643.07 243.04 o
6 10 0 391.48 350.60 65.61 o
7 10 0 89.64 110.72 32.64 o
8 10 0 98.86 70.44 34.64 o
9 10 0 432.84 394.69 50.79 o
1 11 0 27.41 33.02 14.85 o
2 11 0 14.59 17.83 23.87 o
3 11 0 1506.54 1571.11 78.36 o
4 11 0 1.49 3.78 26.00 o
5 11 0 272.62 299.19 74.69 o
6 11 0 820.51 775.47 64.38 o
7 11 0 251.18 243.50 73.09 o
8 11 0 30.82 30.12 43.10 o
9 11 0 1436.68 1384.22 144.07 o
0 12 0 5808.93 6269.83 111.13 o
1 12 0 483.32 480.34 34.96 o
2 12 0 5501.48 5536.01 243.65 o
3 12 0 945.91 950.24 99.27 o
4 12 0 939.55 920.06 77.90 o
5 12 0 1283.09 1171.42 163.94 o
6 12 0 1261.47 1240.74 198.45 o
7 12 0 1.75 2.21 40.83 o
8 12 0 275.84 256.68 57.25 o
1 13 0 911.35 833.25 44.71 o
2 13 0 108.20 109.65 26.09 o
3 13 0 0.40 -6.81 20.99 o
4 13 0 1856.39 1844.07 134.54 o
5 13 0 83.07 69.82 36.90 o
6 13 0 1250.14 1116.52 127.06 o
7 13 0 2.99 -1.59 43.16 o
8 13 0 521.54 522.19 71.99 o
0 14 0 3669.40 3176.77 141.36 o
1 14 0 395.50 405.89 36.10 o
2 14 0 462.59 506.71 40.75 o
3 14 0 8.44 18.98 24.71 o
4 14 0 1067.19 1069.52 59.24 o
5 14 0 400.09 377.43 78.56 o
6 14 0 1570.74 1168.51 114.77 o
7 14 0 110.08 88.89 66.52 o
1 15 0 69.01 63.39 26.28 o
2 15 0 20.84 30.24 26.95 o
3 15 0 263.84 275.84 38.54 o
4 15 0 30.35 26.58 30.77 o
5 15 0 135.84 128.40 39.04 o
6 15 0 152.95 126.32 40.17 o
0 16 0 56.96 84.17 53.78 o
1 16 0 348.82 327.77 72.14 o
2 16 0 1.34 2.63 27.79 o
3 16 0 984.71 977.07 59.60 o
4 16 0 1.32 9.40 33.23 o
5 16 0 941.85 936.19 75.45 o
6 16 0 183.35 177.89 46.33 o
1 17 0 90.79 52.83 41.22 o
2 17 0 377.84 287.74 76.95 o
3 17 0 73.60 67.43 36.62 o
4 17 0 280.40 273.90 46.91 o
0 18 0 166.24 162.83 72.64 o
1 18 0 342.09 357.11 59.17 o
2 18 0 434.50 386.26 83.37 o
3 18 0 616.50 576.87 56.28 o
-11 0 1 160.91 152.50 74.04 o
-9 0 1 102.26 85.98 52.47 o
-7 0 1 434.16 434.96 42.84 o
-5 0 1 124.02 151.15 22.23 o
-3 0 1 8936.39 8734.66 768.46 o
-1 0 1 3618.22 3633.93 213.65 o
1 0 1 19987.22 20280.06 1146.25 o
3 0 1 3113.24 2996.42 290.05 o
5 0 1 4128.44 3898.83 356.11 o
7 0 1 6186.12 6548.39 616.21 o
9 0 1 3074.52 2855.92 151.09 o
11 0 1 927.58 972.47 119.09 o
-11 1 1 346.64 338.36 60.40 o
-10 1 1 49.11 82.12 40.08 o
-9 1 1 2084.45 1983.39 89.22 o
-8 1 1 7.98 10.29 21.32 o
-7 1 1 2758.34 2745.19 159.78 o
-6 1 1 44.13 44.61 15.06 o
-5 1 1 5915.98 5929.38 275.39 o
-4 1 1 5.37 9.53 8.86 o
-3 1 1 387.11 304.11 15.05 o
-2 1 1 865.21 796.90 39.27 o
-1 1 1 7349.14 7115.12 152.86 o
0 1 1 4707.60 4920.63 119.43 o
1 1 1 4786.41 4927.68 209.43 o
2 1 1 19621.32 20963.06 944.86 o
3 1 1 4925.43 5141.64 197.29 o
4 1 1 337.83 306.68 13.67 o
5 1 1 46.15 72.74 10.51 o
6 1 1 519.80 555.43 38.56 o
7 1 1 136.66 150.02 21.38 o
8 1 1 33.10 39.59 24.02 o
9 1 1 30.13 43.14 34.31 o
10 1 1 527.48 464.78 61.44 o
11 1 1 135.65 196.24 77.55 o
-11 2 1 2.19 0.12 42.63 o
-10 2 1 29.88 57.91 40.56 o
-9 2 1 6.41 -5.33 25.83 o
-8 2 1 86.83 88.51 26.35 o
-7 2 1 285.96 293.03 25.42 o
-6 2 1 385.89 406.49 25.60 o
-5 2 1 374.08 408.31 22.88 o
-4 2 1 141.77 130.89 12.92 o
-3 2 1 64.97 53.58 9.05 o
-2 2 1 12.32 16.66 4.90 o
-1 2 1 4316.23 4602.04 147.39 o
0 2 1 7815.25 8435.86 173.07 o
1 2 1 1607.79 1606.62 75.94 o
2 2 1 8882.74 8842.22 549.20 o
3 2 1 2248.26 2242.96 129.40 o
4 2 1 3827.76 3795.69 212.10 o
5 2 1 3346.65 3375.06 163.04 o
6 2 1 2429.99 2479.55 149.21 o
7 2 1 864.38 845.74 77.25 o
8 2 1 1487.75 1539.55 84.30 o
9 2 1 100.08 111.82 39.76 o
10 2 1 1049.16 1039.15 77.25 o
-10 3 1 1441.19 1256.80 111.76 o
-9 3 1 77.28 71.77 30.00 o
-8 3 1 1587.52 1585.27 122.68 o
-7 3 1 27.86 35.93 21.20 o
-6 3 1 6649.02 6561.97 418.39 o
-5 3 1 0.37 6.11 11.07 o
-4 3 1 5313.85 5289.08 341.90 o
-3 3 1 2901.36 3055.29 112.50 o
-2 3 1 54.92 47.40 6.08 o
-1 3 1 1467.20 1541.32 27.28 o
0 3 1 7643.98 8687.57 120.59 o
1 3 1 6182.55 6979.10 268.51 o
2 3 1 267.25 224.94 20.65 o
3 3 1 6.64 14.05 6.73 o
4 3 1 3444.86 3773.71 230.35 o
5 3 1 41.14 23.31 11.66 o
6 3 1 437.55 409.73 31.21 o
7 3 1 450.77 407.50 33.75 o
8 3 1 111.04 117.60 28.21 o
9 3 1 324.51 286.89 38.16 o
10 3 1 203.20 177.75 49.81 o
-10 4 1 283.82 322.25 45.77 o
-9 4 1 38.79 42.84 29.19 o
-8 4 1 194.07 173.78 30.94 o
-7 4 1 1442.67 1313.21 79.31 o
-6 4 1 1467.83 1456.75 81.98 o
-5 4 1 725.64 751.52 54.93 o
-4 4 1 301.55 256.26 21.00 o
-3 4 1 284.51 277.40 12.57 o
-2 4 1 4425.22 4116.39 321.96 o
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0 4 1 24620.46 28426.87 505.05 o
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2 4 1 1934.57 1671.32 81.72 o
3 4 1 6652.27 6755.03 318.17 o
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5 4 1 7.95 12.73 11.46 o
6 4 1 1360.95 1241.69 90.30 o
7 4 1 482.58 490.37 36.43 o
8 4 1 199.17 237.48 32.76 o
9 4 1 55.07 49.93 30.18 o
10 4 1 467.91 511.60 63.15 o
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-6 5 1 1435.99 1304.33 73.84 o
-5 5 1 1569.63 1464.11 70.10 o
-4 5 1 4404.01 4357.60 236.46 o
-3 5 1 11499.04 11818.72 316.15 o
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-1 5 1 1209.89 1311.11 58.45 o
0 5 1 323.82 313.16 19.27 o
1 5 1 8.63 17.76 6.91 o
2 5 1 199.41 293.94 24.18 o
3 5 1 7902.93 8030.85 439.69 o
4 5 1 14.30 20.85 13.63 o
5 5 1 399.12 399.69 29.65 o
6 5 1 190.15 182.07 25.90 o
7 5 1 81.28 79.72 24.58 o
8 5 1 353.76 320.61 37.27 o
9 5 1 9.02 -1.40 28.17 o
10 5 1 13.74 5.13 33.62 o
-10 6 1 197.14 199.67 43.48 o
-9 6 1 23.75 22.05 30.52 o
-8 6 1 44.73 54.72 26.84 o
-7 6 1 148.19 110.40 25.97 o
-6 6 1 55.52 44.18 20.59 o
-5 6 1 1270.99 1188.01 88.99 o
-4 6 1 3512.81 3900.23 108.75 o
-3 6 1 2477.69 2508.60 74.72 o
-2 6 1 610.07 662.08 46.92 o
-1 6 1 522.94 407.69 20.72 o
0 6 1 2856.11 3279.64 46.38 o
1 6 1 5639.61 5855.88 165.80 o
2 6 1 726.34 700.80 59.19 o
3 6 1 3861.31 3388.91 101.22 o
4 6 1 963.78 899.69 63.41 o
5 6 1 7664.04 7277.07 417.74 o
6 6 1 455.77 442.51 35.00 o
7 6 1 2941.90 2816.25 154.41 o
8 6 1 44.72 61.31 28.20 o
9 6 1 3430.08 3380.08 207.21 o
10 6 1 6.06 12.22 35.00 o
-10 7 1 9.38 0.03 36.25 o
-9 7 1 2407.45 2239.88 107.80 o
-8 7 1 3.28 -3.07 25.73 o
-7 7 1 978.64 963.87 52.03 o
-6 7 1 302.34 294.87 30.85 o
-5 7 1 2159.46 1890.23 134.69 o
-4 7 1 10.25 10.64 15.08 o
-3 7 1 3478.82 3082.03 273.96 o
-2 7 1 952.51 1012.33 45.56 o
-1 7 1 5741.33 6236.54 264.00 o
0 7 1 1636.17 1991.97 40.20 o
1 7 1 2071.78 2145.32 76.61 o
2 7 1 574.41 671.88 61.20 o
3 7 1 1120.25 1050.00 93.35 o
4 7 1 127.63 129.25 21.59 o
5 7 1 322.10 261.02 28.14 o
6 7 1 93.40 100.85 24.74 o
7 7 1 4.86 1.71 22.31 o
8 7 1 2.15 4.72 27.40 o
9 7 1 9.67 12.40 31.78 o
10 7 1 97.13 89.90 47.02 o
-10 8 1 113.34 157.52 44.34 o
-9 8 1 427.59 423.37 49.59 o
-8 8 1 506.11 469.68 45.48 o
-7 8 1 384.87 339.03 37.01 o
-6 8 1 784.05 710.28 43.23 o
-5 8 1 47.33 42.41 20.61 o
-4 8 1 1000.43 928.44 53.77 o
-3 8 1 3717.11 3095.79 636.00 o
-2 8 1 1543.54 1587.34 55.20 o
-1 8 1 3852.37 3999.30 123.85 o
0 8 1 193.56 267.80 19.57 o
1 8 1 6755.01 7660.29 160.30 o
2 8 1 170.84 149.94 14.44 o
3 8 1 3995.54 3961.98 269.53 o
4 8 1 185.50 189.90 31.11 o
5 8 1 1040.08 1014.31 60.02 o
6 8 1 485.61 473.73 41.85 o
7 8 1 487.91 505.05 42.36 o
8 8 1 330.47 307.62 40.45 o
9 8 1 1265.35 1140.07 68.21 o
10 8 1 361.90 295.76 58.37 o
-9 9 1 865.71 797.09 60.33 o
-8 9 1 640.81 667.03 52.27 o
-7 9 1 61.49 72.94 28.99 o
-6 9 1 1767.81 1602.57 77.93 o
-5 9 1 61.44 57.98 28.62 o
-4 9 1 3026.04 2833.39 211.69 o
-3 9 1 128.23 125.68 27.30 o
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-1 9 1 171.49 179.46 24.72 o
0 9 1 1686.97 1862.30 66.52 o
1 9 1 11.70 23.40 10.28 o
2 9 1 30.66 43.08 12.65 o
3 9 1 463.28 414.45 52.37 o
4 9 1 98.84 92.59 28.02 o
5 9 1 0.40 3.51 26.21 o
6 9 1 119.60 94.56 27.67 o
7 9 1 119.87 98.64 30.31 o
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9 9 1 91.82 75.63 44.12 o
-9 10 1 57.09 47.91 37.99 o
-8 10 1 31.04 24.83 32.13 o
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-6 10 1 231.86 211.97 41.58 o
-5 10 1 75.88 84.30 32.79 o
-4 10 1 494.90 504.48 46.79 o
-3 10 1 141.97 171.44 31.07 o
-2 10 1 1002.94 1022.82 39.12 o
-1 10 1 230.35 235.76 23.33 o
0 10 1 1868.72 1899.28 88.04 o
1 10 1 1044.83 1191.30 30.63 o
2 10 1 2845.66 2893.32 112.47 o
3 10 1 51.23 43.10 19.55 o
4 10 1 2465.12 2355.02 144.52 o
5 10 1 10.24 1.36 26.77 o
6 10 1 917.02 978.28 108.70 o
7 10 1 55.09 50.57 30.78 o
8 10 1 1444.97 1375.23 123.97 o
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-9 11 1 207.27 203.70 55.71 o
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-7 11 1 1068.24 1002.31 105.24 o
-6 11 1 312.18 337.21 48.94 o
-5 11 1 1134.66 1084.21 128.27 o
-4 11 1 1105.07 1070.01 73.54 o
-3 11 1 1417.46 1355.18 112.97 o
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-1 11 1 2534.00 2637.24 137.93 o
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2 11 1 1657.40 1580.59 53.45 o
3 11 1 263.73 249.16 29.92 o
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6 11 1 141.17 131.23 58.19 o
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-8 12 1 131.60 83.13 47.65 o
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2 12 1 1674.39 1650.71 65.05 o
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-6 13 1 36.00 36.69 41.51 o
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-4 13 1 141.41 169.62 39.75 o
-3 13 1 3242.86 3032.41 368.25 o
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0 13 1 129.27 139.47 21.76 o
1 13 1 1499.49 1518.73 84.07 o
2 13 1 0.35 4.27 21.09 o
3 13 1 47.08 41.93 24.15 o
4 13 1 272.18 274.50 36.01 o
5 13 1 14.28 7.52 27.84 o
6 13 1 17.61 19.63 29.95 o
7 13 1 9.65 3.44 42.26 o
8 13 1 184.87 144.53 42.15 o
-7 14 1 0.70 12.60 42.83 o
-6 14 1 42.53 46.47 45.08 o
-5 14 1 346.29 360.57 56.11 o
-4 14 1 0.87 0.21 32.68 o
-3 14 1 367.85 384.85 51.12 o
-2 14 1 90.65 53.17 42.84 o
-1 14 1 727.85 752.74 47.79 o
0 14 1 123.83 145.58 34.40 o
1 14 1 394.96 412.66 46.40 o
2 14 1 31.83 46.75 25.58 o
3 14 1 1052.77 959.39 53.27 o
4 14 1 143.83 143.16 33.94 o
5 14 1 1229.70 1140.39 73.22 o
6 14 1 1345.44 1340.71 87.37 o
7 14 1 1078.53 1032.33 69.32 o
-6 15 1 522.09 418.18 76.70 o
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-4 15 1 1098.55 1096.61 98.87 o
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-1 15 1 554.50 454.58 71.83 o
0 15 1 587.82 559.05 54.50 o
1 15 1 95.99 100.39 35.72 o
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3 15 1 27.93 22.14 28.61 o
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3 3 12 1808.78 1620.96 408.43 o
4 3 12 3.63 5.57 43.44 o
5 3 12 570.20 555.07 84.78 o
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0 4 12 16.71 15.05 32.69 o
1 4 12 390.08 397.85 47.36 o
2 4 12 24.43 18.59 40.44 o
3 4 12 72.36 49.05 43.34 o
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1 5 12 33.01 49.04 43.31 o
2 5 12 474.66 443.53 106.00 o
3 5 12 442.91 412.41 82.27 o
4 5 12 265.74 298.20 79.31 o
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0 6 12 944.35 862.29 107.67 o
1 6 12 28.05 19.04 42.58 o
2 6 12 386.07 353.89 87.94 o
3 6 12 5.62 15.08 44.79 o
4 6 12 496.63 425.36 67.03 o
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0 7 12 565.84 542.88 171.31 o
1 7 12 4.66 10.62 43.74 o
2 7 12 376.72 370.47 78.46 o
3 7 12 24.09 20.43 46.04 o
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0 9 12 393.71 284.87 82.67 o
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1 0 13 270.85 349.19 58.91 o
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0 1 13 324.91 251.86 45.98 o
1 1 13 146.10 114.00 40.18 o
2 1 13 165.75 166.71 43.86 o
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1 2 13 426.37 382.12 50.70 o
2 2 13 162.73 194.03 44.71 o
3 2 13 206.89 237.21 58.21 o
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0 3 13 2.04 23.93 36.18 o
1 3 13 103.71 75.93 39.16 o
2 3 13 190.52 179.89 53.24 o
3 3 13 8.39 -20.88 43.44 o
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0 4 13 229.07 283.35 46.84 o
1 4 13 3.02 -5.84 43.87 o
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3 4 13 498.30 465.38 71.53 o
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1 5 13 24.48 4.96 42.28 o
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0 0 14 481.43 490.70 94.01 o
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