#------------------------------------------------------------------------------
#$Date: 2022-01-07 01:12:38 +0200 (Fri, 07 Jan 2022) $
#$Revision: 271912 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243993.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_2243993
_cell_angle_alpha                90.000
_cell_angle_beta                 92.755
_cell_angle_gamma                90.000
_cell_length_a                   8.3507
_cell_length_b                   7.3719
_cell_length_c                   11.7180
_exptl_crystal_F_000             432.00
_reflns_d_resolution_high        0.8410
_cod_data_source_file            zn20112sup5.hkl
_cod_data_source_block           2
_shelx_title                     ' pats11_a.res in P2(1)/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            287.13
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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 6886.42 7235.33 79.35 o
3 0 0 28.03 43.22 6.93 o
4 0 0 802.40 903.89 47.97 o
5 0 0 25.29 25.41 7.08 o
6 0 0 139.62 140.08 18.27 o
7 0 0 1187.00 1064.97 104.33 o
8 0 0 2087.87 2230.76 164.35 o
9 0 0 4.97 1.92 4.86 o
1 1 0 2521.38 2579.25 165.19 o
2 1 0 1042.19 1294.09 36.41 o
3 1 0 16160.52 16634.74 1012.47 o
4 1 0 1986.08 1774.49 100.21 o
5 1 0 442.15 484.40 33.57 o
6 1 0 35.37 37.00 9.19 o
7 1 0 676.19 706.15 49.89 o
8 1 0 85.99 82.39 13.32 o
9 1 0 513.69 625.42 44.11 o
0 2 0 82441.51 44258.66 5103.03 o
1 2 0 2074.48 2166.56 58.53 o
2 2 0 7322.69 7196.58 84.60 o
3 2 0 74.83 81.83 7.06 o
4 2 0 946.20 966.80 36.17 o
5 2 0 101.08 106.98 11.17 o
6 2 0 19.54 20.12 7.46 o
7 2 0 1251.92 1317.09 56.05 o
8 2 0 1523.89 1741.38 92.77 o
9 2 0 4.68 7.71 6.57 o
1 3 0 1370.79 1335.65 29.90 o
2 3 0 46.59 52.52 3.58 o
3 3 0 11987.26 11868.85 493.47 o
4 3 0 730.75 624.26 26.54 o
5 3 0 329.60 299.53 17.28 o
6 3 0 17.57 21.18 4.06 o
7 3 0 550.96 565.23 29.52 o
8 3 0 17.36 23.30 5.12 o
9 3 0 273.40 213.53 46.71 o
0 4 0 29846.58 35014.45 797.85 o
1 4 0 610.87 617.28 27.01 o
2 4 0 3279.25 3074.01 102.48 o
3 4 0 97.24 88.85 10.24 o
4 4 0 485.67 432.92 30.20 o
5 4 0 38.53 30.95 4.82 o
6 4 0 4.69 6.26 2.15 o
7 4 0 687.88 585.34 49.19 o
8 4 0 807.89 989.27 182.04 o
1 5 0 1349.84 1410.93 33.42 o
2 5 0 128.90 140.89 11.91 o
3 5 0 3553.46 3907.28 88.13 o
4 5 0 493.84 505.33 26.74 o
5 5 0 69.94 60.27 9.10 o
6 5 0 2.07 2.17 2.57 o
7 5 0 194.17 198.76 23.50 o
8 5 0 20.25 22.48 11.75 o
0 6 0 10405.59 11675.23 682.93 o
1 6 0 58.36 39.57 14.09 o
2 6 0 1076.39 1171.26 42.26 o
3 6 0 40.22 36.84 7.67 o
4 6 0 122.61 119.55 13.72 o
5 6 0 7.46 14.11 6.64 o
6 6 0 9.31 9.27 5.18 o
7 6 0 202.77 208.98 31.20 o
1 7 0 416.72 415.94 31.93 o
2 7 0 10.35 14.08 7.31 o
3 7 0 1016.79 1250.71 61.46 o
4 7 0 129.93 126.30 17.01 o
5 7 0 14.42 8.93 5.53 o
0 8 0 2305.16 1878.95 546.13 o
1 8 0 27.15 20.27 7.94 o
2 8 0 361.47 436.62 38.56 o
3 8 0 24.26 34.59 13.17 o
4 8 0 60.68 59.28 16.59 o
-9 0 1 491.95 569.76 62.53 o
-8 0 1 37.27 47.54 15.16 o
-7 0 1 138.58 134.50 22.99 o
-6 0 1 986.02 942.50 50.99 o
-5 0 1 5567.52 4937.21 214.57 o
-4 0 1 2843.71 2617.57 65.54 o
-3 0 1 23814.91 23383.49 123.55 o
-2 0 1 154.33 193.24 10.50 o
-1 0 1 5422.42 6611.53 77.25 o
3 0 1 546.97 505.92 86.35 o
4 0 1 6913.56 7328.16 1241.16 o
5 0 1 7966.87 6709.15 431.99 o
6 0 1 251.81 226.95 17.14 o
7 0 1 1665.41 1402.25 322.73 o
8 0 1 410.78 452.55 62.95 o
9 0 1 79.13 102.82 42.11 o
-9 1 1 4.97 3.55 7.18 o
-8 1 1 81.43 99.10 14.53 o
-7 1 1 361.60 416.34 27.42 o
-6 1 1 6682.20 6643.83 193.97 o
-5 1 1 307.58 342.47 23.69 o
-4 1 1 6062.18 6476.82 226.25 o
-3 1 1 3166.07 3405.78 124.77 o
-2 1 1 15045.93 15105.76 533.77 o
-1 1 1 1552.59 1632.34 51.30 o
0 1 1 1596.10 1822.45 111.43 o
1 1 1 12201.21 12188.40 224.57 o
2 1 1 4540.99 4623.55 174.78 o
3 1 1 7.04 5.32 2.31 o
4 1 1 5780.49 5514.26 490.05 o
5 1 1 1205.20 1183.55 62.88 o
6 1 1 1728.55 1583.59 84.47 o
7 1 1 2797.78 2965.96 107.36 o
8 1 1 2029.25 2177.68 100.76 o
9 1 1 48.38 52.63 19.25 o
-9 2 1 285.23 318.04 31.09 o
-8 2 1 66.97 74.14 13.50 o
-7 2 1 202.82 227.91 22.69 o
-6 2 1 875.16 887.06 63.84 o
-5 2 1 4697.73 4475.37 178.45 o
-4 2 1 3061.02 2885.33 74.70 o
-3 2 1 13760.36 13485.12 584.27 o
-2 2 1 1491.28 1743.05 64.46 o
-1 2 1 7407.20 7855.41 187.45 o
0 2 1 2295.55 2642.79 69.44 o
1 2 1 2660.85 2819.34 94.44 o
2 2 1 184.31 178.57 9.73 o
3 2 1 3.04 5.92 1.96 o
4 2 1 7150.15 8406.12 476.17 o
5 2 1 5343.92 5115.78 163.02 o
6 2 1 163.49 165.46 20.17 o
7 2 1 1306.21 1328.38 74.46 o
8 2 1 246.50 300.24 36.22 o
9 2 1 124.06 105.67 18.94 o
-9 3 1 5.18 4.64 4.97 o
-8 3 1 42.76 66.15 15.47 o
-7 3 1 149.11 149.22 21.16 o
-6 3 1 4966.50 4687.17 75.61 o
-5 3 1 21.96 17.03 3.10 o
-4 3 1 2865.41 2784.54 97.51 o
-3 3 1 1070.19 1075.57 32.88 o
-2 3 1 7585.95 7532.22 119.21 o
-1 3 1 214.46 235.90 9.99 o
0 3 1 3714.35 3775.74 174.41 o
1 3 1 3836.49 3530.91 240.54 o
2 3 1 3438.16 3550.06 129.13 o
3 3 1 20.37 9.22 4.75 o
4 3 1 3723.24 3409.57 79.38 o
5 3 1 1235.89 1295.27 55.48 o
6 3 1 831.41 798.52 41.03 o
7 3 1 1443.46 1631.08 100.63 o
8 3 1 1532.82 1724.57 95.13 o
9 3 1 45.32 38.74 9.05 o
-8 4 1 21.34 43.85 15.63 o
-7 4 1 130.86 128.66 19.74 o
-6 4 1 486.01 423.22 25.07 o
-5 4 1 2429.97 2234.08 50.12 o
-4 4 1 1447.17 1179.00 65.45 o
-3 4 1 7181.78 5631.38 545.26 o
-2 4 1 490.28 508.60 24.93 o
-1 4 1 2739.16 3418.41 66.27 o
0 4 1 715.85 906.61 28.03 o
1 4 1 975.24 923.26 93.75 o
2 4 1 168.12 150.64 11.43 o
3 4 1 7.90 2.50 4.15 o
4 4 1 3421.22 3334.40 74.77 o
5 4 1 2756.53 2745.93 65.93 o
6 4 1 109.82 137.21 16.29 o
7 4 1 740.39 735.74 70.87 o
8 4 1 133.03 150.05 22.49 o
-8 5 1 28.67 36.60 16.20 o
-7 5 1 110.29 113.55 22.41 o
-6 5 1 1778.88 1682.16 94.99 o
-5 5 1 40.86 47.50 7.28 o
-4 5 1 1802.13 1841.61 60.87 o
-3 5 1 562.47 591.30 31.76 o
-2 5 1 3091.86 3150.04 62.49 o
-1 5 1 222.52 222.57 24.36 o
0 5 1 840.49 836.87 42.48 o
1 5 1 2377.48 2322.08 61.41 o
2 5 1 809.11 803.77 56.11 o
3 5 1 20.94 25.66 6.44 o
4 5 1 1355.82 1368.67 53.62 o
5 5 1 425.75 395.03 27.34 o
6 5 1 587.74 570.44 35.43 o
7 5 1 789.98 887.99 50.94 o
8 5 1 592.23 675.87 66.35 o
-7 6 1 33.26 32.69 11.89 o
-6 6 1 159.08 127.76 19.01 o
-5 6 1 875.01 942.14 44.45 o
-4 6 1 392.85 377.30 25.33 o
-3 6 1 2888.59 3095.10 119.74 o
-2 6 1 41.67 38.07 6.09 o
-1 6 1 722.51 844.05 27.82 o
0 6 1 113.84 97.94 11.36 o
1 6 1 252.08 248.87 16.16 o
2 6 1 194.62 197.54 18.17 o
3 6 1 7.79 14.33 4.78 o
4 6 1 947.18 940.42 56.04 o
5 6 1 1071.88 1049.03 46.20 o
6 6 1 59.16 71.37 13.35 o
7 6 1 326.79 345.02 36.88 o
-5 7 1 3.82 11.21 7.11 o
-4 7 1 612.43 632.06 39.35 o
-3 7 1 141.76 146.14 20.81 o
-2 7 1 968.47 1034.24 45.56 o
-1 7 1 42.31 43.71 8.95 o
0 7 1 230.79 225.50 26.80 o
1 7 1 694.25 890.97 71.00 o
2 7 1 178.08 196.17 23.22 o
3 7 1 13.99 21.93 8.87 o
4 7 1 457.46 439.84 38.38 o
5 7 1 162.94 145.27 20.41 o
-4 8 1 138.00 166.74 27.04 o
-3 8 1 546.22 678.73 52.21 o
-2 8 1 41.50 42.62 10.43 o
-1 8 1 340.79 305.55 121.39 o
0 8 1 25.48 20.21 10.95 o
1 8 1 92.63 71.24 21.31 o
2 8 1 35.02 31.63 11.33 o
3 8 1 2.86 -6.74 6.74 o
-9 0 2 695.17 681.01 67.93 o
-8 0 2 2103.01 2282.25 240.18 o
-7 0 2 1489.31 1450.48 235.92 o
-6 0 2 7022.42 7145.04 163.67 o
-5 0 2 12.86 20.59 4.86 o
-4 0 2 152.90 152.96 13.42 o
-3 0 2 774.82 966.38 28.08 o
-2 0 2 227.80 294.31 22.26 o
-1 0 2 8361.40 9824.24 210.51 o
1 0 2 21305.24 19137.84 116.76 o
2 0 2 24047.08 23344.35 2160.03 o
3 0 2 3055.03 2813.12 83.98 o
4 0 2 47.90 21.67 6.98 o
5 0 2 3459.63 3519.28 116.09 o
6 0 2 417.49 434.48 75.03 o
7 0 2 92.23 122.67 20.32 o
8 0 2 271.44 274.00 34.54 o
9 0 2 453.63 353.47 233.35 o
-9 1 2 1257.24 1360.43 178.78 o
-8 1 2 1.23 3.84 5.42 o
-7 1 2 189.14 220.62 18.70 o
-6 1 2 2171.94 2166.59 119.14 o
-5 1 2 2808.81 2927.18 79.35 o
-4 1 2 114.94 109.26 8.95 o
-3 1 2 2706.17 2657.45 77.19 o
-2 1 2 10401.81 10768.01 412.12 o
-1 1 2 6623.68 7318.50 68.39 o
0 1 2 535.99 711.42 16.87 o
1 1 2 821.73 841.83 33.92 o
2 1 2 10351.53 10153.96 376.99 o
3 1 2 8490.61 7715.64 328.18 o
4 1 2 8155.55 7304.10 447.36 o
5 1 2 5074.49 4297.70 527.91 o
6 1 2 4.27 4.35 3.28 o
7 1 2 311.00 299.24 24.42 o
8 1 2 90.68 82.60 14.47 o
9 1 2 89.45 70.01 18.72 o
-9 2 2 639.33 633.28 107.64 o
-8 2 2 1737.85 2024.12 84.96 o
-7 2 2 1385.42 1491.22 72.51 o
-6 2 2 4924.56 4910.37 113.64 o
-5 2 2 24.78 18.07 4.26 o
-4 2 2 8.78 7.88 3.38 o
-3 2 2 1054.18 956.09 27.10 o
-2 2 2 234.82 256.31 9.43 o
-1 2 2 3982.54 4557.89 143.49 o
0 2 2 2760.02 2866.62 168.29 o
1 2 2 22808.92 20283.90 857.03 o
2 2 2 11667.12 11932.36 107.73 o
3 2 2 1561.32 1527.38 90.97 o
4 2 2 96.46 84.77 8.15 o
5 2 2 2359.59 2323.43 65.25 o
6 2 2 551.22 619.81 29.25 o
7 2 2 166.94 157.08 17.29 o
8 2 2 140.90 102.97 23.02 o
9 2 2 424.71 430.26 44.96 o
-9 3 2 985.35 1294.03 285.64 o
-8 3 2 26.39 36.41 11.39 o
-7 3 2 65.23 63.24 11.91 o
-6 3 2 1138.23 1005.02 41.59 o
-5 3 2 1987.10 1870.24 43.59 o
-4 3 2 26.66 19.99 3.54 o
-3 3 2 2245.62 2421.03 118.06 o
-2 3 2 3129.87 3559.44 137.79 o
-1 3 2 5797.96 6481.56 238.95 o
0 3 2 1148.11 1264.68 28.01 o
1 3 2 822.75 738.26 58.42 o
2 3 2 7338.71 7077.48 263.88 o
3 3 2 3421.10 3146.84 96.33 o
4 3 2 3905.86 3665.86 72.00 o
5 3 2 4036.30 4087.66 87.10 o
6 3 2 27.66 31.21 7.20 o
7 3 2 190.19 220.62 27.70 o
8 3 2 81.97 92.56 24.19 o
9 3 2 98.45 89.19 21.18 o
-8 4 2 968.74 1057.19 128.36 o
-7 4 2 744.72 668.44 53.68 o
-6 4 2 2653.58 2167.54 159.40 o
-5 4 2 8.70 16.09 4.04 o
-4 4 2 15.00 18.27 4.03 o
-3 4 2 384.57 287.84 34.66 o
-2 4 2 124.24 105.95 9.48 o
-1 4 2 2308.49 2815.22 96.42 o
0 4 2 836.72 832.20 18.52 o
1 4 2 8791.39 7811.27 629.98 o
2 4 2 5476.50 5399.03 186.88 o
3 4 2 987.74 965.44 31.56 o
4 4 2 82.21 67.23 10.88 o
5 4 2 1121.89 999.45 44.97 o
6 4 2 322.55 342.00 33.04 o
7 4 2 75.52 78.01 18.05 o
8 4 2 86.35 115.23 27.08 o
-8 5 2 2.43 15.41 12.79 o
-7 5 2 85.53 93.32 21.35 o
-6 5 2 540.42 492.90 33.52 o
-5 5 2 844.16 829.84 44.49 o
-4 5 2 19.80 8.71 7.28 o
-3 5 2 575.61 578.82 25.37 o
-2 5 2 1907.67 2024.87 62.77 o
-1 5 2 1209.46 1387.89 32.05 o
0 5 2 396.98 412.69 22.11 o
1 5 2 373.98 364.08 18.01 o
2 5 2 2419.34 2096.52 96.03 o
3 5 2 1964.67 1976.21 70.43 o
4 5 2 2103.79 2272.39 70.03 o
5 5 2 1425.16 1338.76 56.44 o
6 5 2 6.72 10.77 4.41 o
7 5 2 66.29 65.69 15.66 o
-7 6 2 244.10 199.78 37.55 o
-6 6 2 1167.51 936.91 140.56 o
-5 6 2 9.16 4.26 3.42 o
-4 6 2 1.10 2.48 6.98 o
-3 6 2 28.77 30.38 6.77 o
-2 6 2 53.68 65.17 8.11 o
-1 6 2 970.51 1044.67 42.66 o
0 6 2 136.48 106.66 11.73 o
1 6 2 2279.44 2503.18 89.41 o
2 6 2 2170.68 2362.70 101.45 o
3 6 2 516.99 543.02 35.68 o
4 6 2 51.86 65.86 11.91 o
5 6 2 442.14 458.22 35.89 o
6 6 2 85.93 80.43 14.12 o
7 6 2 4.82 -1.97 8.50 o
-5 7 2 263.01 215.07 32.93 o
-4 7 2 2.26 4.03 6.71 o
-3 7 2 195.51 231.88 38.38 o
-2 7 2 517.64 623.06 61.37 o
-1 7 2 283.75 346.56 42.89 o
0 7 2 180.76 170.66 20.83 o
1 7 2 132.23 142.02 24.62 o
2 7 2 742.72 839.41 80.49 o
3 7 2 617.85 618.00 47.78 o
4 7 2 585.41 670.28 56.42 o
5 7 2 453.03 421.44 56.13 o
-3 8 2 5.09 4.98 4.97 o
-2 8 2 11.12 12.25 6.52 o
-1 8 2 220.08 159.64 56.09 o
0 8 2 79.07 61.28 13.49 o
1 8 2 724.35 510.05 59.54 o
2 8 2 400.17 418.46 39.59 o
3 8 2 138.76 151.68 23.31 o
-9 0 3 220.11 182.35 88.15 o
-8 0 3 61.58 47.71 16.33 o
-7 0 3 82.77 93.12 13.41 o
-6 0 3 687.93 769.21 34.03 o
-5 0 3 819.36 844.43 42.44 o
-4 0 3 8850.10 11251.84 699.96 o
-3 0 3 470.10 491.10 58.70 o
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-1 0 3 12257.03 13621.29 97.84 o
0 0 3 8929.86 9930.47 210.00 o
1 0 3 15.16 14.55 2.12 o
2 0 3 6535.30 5608.18 261.49 o
3 0 3 915.26 747.54 47.87 o
4 0 3 30.09 27.08 9.91 o
5 0 3 327.86 308.40 33.72 o
6 0 3 3288.11 3455.65 132.78 o
7 0 3 441.32 504.33 69.90 o
8 0 3 472.60 507.30 134.44 o
9 0 3 13.60 36.22 23.45 o
-9 1 3 1063.49 998.23 147.22 o
-8 1 3 359.78 393.05 30.29 o
-7 1 3 580.28 694.01 28.85 o
-6 1 3 80.52 100.43 8.63 o
-5 1 3 4675.46 4381.40 66.18 o
-4 1 3 3590.18 3719.95 62.03 o
-3 1 3 2436.94 2512.00 46.24 o
-2 1 3 314.56 314.78 27.36 o
-1 1 3 21578.52 21883.83 820.10 o
0 1 3 6621.68 7301.80 155.44 o
1 1 3 10675.50 11091.45 303.86 o
2 1 3 3405.16 3230.19 196.53 o
3 1 3 721.83 684.50 80.77 o
4 1 3 350.05 293.68 25.55 o
5 1 3 165.05 163.56 18.43 o
6 1 3 19.71 13.90 6.66 o
7 1 3 1549.49 1415.33 102.41 o
8 1 3 42.79 33.31 6.92 o
9 1 3 1501.74 1731.28 275.85 o
-9 2 3 127.13 103.69 24.79 o
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-6 2 3 719.30 649.60 48.32 o
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-3 2 3 940.19 941.55 59.26 o
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0 2 3 3634.92 3904.78 66.30 o
1 2 3 26.97 17.72 4.71 o
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3 2 3 1308.10 1154.12 46.42 o
4 2 3 10.80 12.88 3.25 o
5 2 3 61.49 53.81 8.62 o
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7 2 3 282.24 284.80 26.06 o
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9 2 3 26.23 39.50 13.37 o
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-8 3 3 254.06 213.00 30.36 o
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-4 3 3 2980.15 2911.63 174.68 o
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-1 3 3 12250.37 12439.11 543.90 o
0 3 3 2433.58 2418.96 55.37 o
1 3 3 3723.17 3156.61 197.20 o
2 3 3 3413.97 3125.64 51.22 o
3 3 3 179.32 186.95 13.96 o
4 3 3 233.91 208.21 11.46 o
5 3 3 93.06 103.08 9.94 o
6 3 3 0.23 -0.88 1.95 o
7 3 3 1320.40 1333.74 81.97 o
8 3 3 7.01 4.78 5.25 o
-8 4 3 9.76 6.41 6.47 o
-7 4 3 6.03 3.20 2.22 o
-6 4 3 352.42 259.64 19.36 o
-5 4 3 220.43 188.94 17.42 o
-4 4 3 3452.58 3175.37 144.41 o
-3 4 3 387.72 319.85 12.87 o
-2 4 3 7156.64 7460.72 132.83 o
-1 4 3 2733.09 2947.43 90.53 o
0 4 3 1923.44 1889.64 54.10 o
1 4 3 17.14 18.25 2.68 o
2 4 3 2352.00 2033.51 61.23 o
3 4 3 716.08 672.40 27.64 o
4 4 3 0.53 4.22 3.34 o
5 4 3 32.32 43.85 10.31 o
6 4 3 1639.12 1730.94 85.29 o
7 4 3 123.70 148.14 23.99 o
8 4 3 260.99 347.90 48.93 o
-7 5 3 198.07 193.55 36.09 o
-6 5 3 15.69 7.23 3.23 o
-5 5 3 1342.17 1354.46 79.48 o
-4 5 3 765.97 801.12 61.93 o
-3 5 3 802.74 686.49 66.72 o
-2 5 3 69.92 67.86 6.41 o
-1 5 3 4551.53 4207.45 320.48 o
0 5 3 1442.30 1454.79 49.09 o
1 5 3 2112.64 2213.61 61.16 o
2 5 3 953.33 931.03 38.05 o
3 5 3 136.15 144.15 16.96 o
4 5 3 42.49 40.85 8.47 o
5 5 3 76.06 70.38 13.25 o
6 5 3 9.26 0.66 5.27 o
7 5 3 476.84 481.95 67.61 o
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-4 6 3 1279.93 1249.70 73.55 o
-3 6 3 71.41 86.52 12.11 o
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