#------------------------------------------------------------------------------
#$Date: 2024-12-03 04:56:34 +0200 (Tue, 03 Dec 2024) $
#$Revision: 296195 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/27/2312706.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_2312706
_cell_angle_alpha                95.990
_cell_angle_beta                 93.999
_cell_angle_gamma                110.227
_cell_length_a                   5.6120
_cell_length_b                   5.7724
_cell_length_c                   12.4665
_exptl_crystal_F_000             293.00
_reflns_d_resolution_high        0.8403
_cod_data_source_file            yv50212sup3.hkl
_cod_data_source_block           2
_shelx_title                     ' 2_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            110.12
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 0 156.25 168.55 14.35 o
2 0 0 5752.91 5937.11 149.31 o
3 0 0 4843.64 4542.43 87.71 o
4 0 0 34.21 35.64 3.27 o
5 0 0 743.46 758.34 20.60 o
6 0 0 10.16 11.21 2.37 o
-6 1 0 2012.66 1906.20 44.09 o
-5 1 0 212.66 230.51 8.75 o
-4 1 0 1529.41 1532.24 35.30 o
-3 1 0 977.22 881.84 18.99 o
-2 1 0 4929.00 4802.65 111.46 o
-1 1 0 6.11 12.09 1.40 o
0 1 0 914.25 875.32 15.27 o
2 1 0 13.82 23.85 4.01 o
3 1 0 11674.46 11142.79 159.02 o
4 1 0 1683.92 1575.41 37.68 o
5 1 0 495.06 510.75 27.10 o
-6 2 0 1721.95 1692.83 39.46 o
-5 2 0 2493.56 2538.61 58.86 o
-4 2 0 520.60 533.93 28.88 o
-3 2 0 9192.59 8346.48 146.99 o
-2 2 0 2138.16 1904.31 189.60 o
-1 2 0 1472.00 1825.27 53.22 o
0 2 0 3033.34 2753.19 65.46 o
1 2 0 1111.82 1171.22 23.95 o
2 2 0 411.39 435.32 10.67 o
3 2 0 2.99 3.03 1.59 o
4 2 0 3078.17 3066.79 68.11 o
5 2 0 253.18 253.99 17.42 o
-6 3 0 9.64 8.69 2.17 o
-5 3 0 1221.95 1310.34 36.96 o
-4 3 0 1112.74 1071.40 29.66 o
-3 3 0 1717.89 1483.55 66.14 o
-2 3 0 8700.22 8149.33 205.81 o
-1 3 0 626.11 644.78 28.41 o
0 3 0 6534.17 6268.31 113.75 o
1 3 0 4007.84 4039.24 105.61 o
2 3 0 299.96 336.29 10.40 o
3 3 0 688.69 706.10 19.94 o
4 3 0 0.51 7.08 3.18 o
-6 4 0 519.28 556.89 25.91 o
-5 4 0 374.06 363.91 23.63 o
-4 4 0 36.53 40.33 5.59 o
-3 4 0 210.16 190.86 12.76 o
-2 4 0 632.54 603.64 14.10 o
-1 4 0 3253.19 3338.38 74.93 o
0 4 0 339.74 337.20 14.08 o
1 4 0 3822.28 4091.99 84.34 o
2 4 0 936.25 959.92 30.47 o
3 4 0 1095.90 1120.07 42.70 o
-5 5 0 2376.86 2392.74 54.93 o
-4 5 0 694.63 696.98 33.77 o
-3 5 0 385.27 412.65 24.08 o
-2 5 0 1417.71 1422.35 31.20 o
-1 5 0 2.55 4.26 1.70 o
0 5 0 15.45 23.97 6.12 o
1 5 0 5.11 10.03 3.08 o
2 5 0 1246.24 1232.58 146.61 o
-5 6 0 321.84 322.64 12.74 o
-4 6 0 1763.70 1779.98 89.02 o
-3 6 0 421.49 442.08 19.01 o
-2 6 0 2166.82 2190.19 87.40 o
-1 6 0 1166.37 1197.60 27.12 o
0 6 0 160.99 163.30 10.47 o
0 -6 1 341.57 323.08 20.22 o
1 -6 1 403.01 423.37 17.03 o
2 -6 1 1252.83 1263.73 34.97 o
3 -6 1 41.37 47.98 4.76 o
4 -6 1 182.54 219.21 18.73 o
5 -6 1 6.89 9.66 2.19 o
-2 -5 1 0.92 6.62 4.58 o
-1 -5 1 76.41 80.38 7.46 o
0 -5 1 1862.09 1959.60 67.44 o
1 -5 1 342.04 345.71 12.81 o
2 -5 1 1673.28 1705.39 48.31 o
3 -5 1 1284.88 1362.92 31.75 o
4 -5 1 262.40 283.17 15.37 o
5 -5 1 1146.50 1188.92 43.97 o
-3 -4 1 892.56 864.93 34.91 o
-2 -4 1 32.12 36.48 4.21 o
-1 -4 1 1170.28 1198.28 32.87 o
0 -4 1 29.79 25.06 3.65 o
1 -4 1 59.04 67.30 4.71 o
2 -4 1 68.40 66.46 4.18 o
3 -4 1 1804.54 1709.30 51.04 o
4 -4 1 722.97 753.04 34.27 o
5 -4 1 539.97 545.13 21.02 o
6 -4 1 989.36 1009.54 38.38 o
-4 -3 1 6.76 10.59 3.92 o
-3 -3 1 4598.92 4160.63 84.19 o
-2 -3 1 338.00 348.25 11.93 o
-1 -3 1 2594.39 2761.33 121.36 o
0 -3 1 7696.77 8145.48 201.96 o
1 -3 1 48.94 53.91 7.29 o
2 -3 1 1575.75 1445.22 47.51 o
3 -3 1 454.50 439.01 11.46 o
4 -3 1 74.94 82.70 14.31 o
5 -3 1 52.33 63.13 13.21 o
6 -3 1 396.73 422.23 15.66 o
-5 -2 1 22.19 29.58 5.86 o
-4 -2 1 193.94 206.23 12.39 o
-3 -2 1 20.54 29.55 4.70 o
-2 -2 1 6390.25 6287.22 84.29 o
-1 -2 1 1202.65 1286.04 28.28 o
0 -2 1 8808.80 8190.35 136.99 o
1 -2 1 6452.84 6100.34 130.55 o
2 -2 1 858.80 848.47 76.38 o
3 -2 1 8246.87 7535.03 113.32 o
4 -2 1 141.72 148.95 10.10 o
5 -2 1 577.60 589.74 22.37 o
6 -2 1 535.63 568.41 18.93 o
-5 -1 1 725.17 749.60 34.61 o
-4 -1 1 496.94 492.33 19.84 o
-3 -1 1 5984.41 5576.36 117.76 o
-2 -1 1 84.97 86.67 6.35 o
-1 -1 1 276.52 322.45 14.49 o
0 -1 1 2378.64 2454.35 41.66 o
2 -1 1 34.59 51.13 6.68 o
3 -1 1 1829.01 1841.52 33.96 o
4 -1 1 4017.70 4222.14 69.21 o
5 -1 1 317.90 332.64 10.78 o
6 -1 1 2066.89 2073.37 86.79 o
-6 0 1 136.55 142.52 8.50 o
-5 0 1 3450.85 3438.03 59.95 o
-4 0 1 402.94 426.98 11.99 o
-3 0 1 5794.54 5493.55 82.36 o
-2 0 1 6630.94 6616.72 165.30 o
-1 0 1 1158.56 1115.41 49.16 o
1 0 1 3031.38 3120.26 55.63 o
2 0 1 112.07 169.55 10.51 o
3 0 1 711.91 643.45 20.39 o
4 0 1 1313.91 1409.46 30.40 o
5 0 1 33.45 42.06 5.14 o
6 0 1 231.02 240.96 10.74 o
-6 1 1 424.37 414.51 16.15 o
-5 1 1 1.48 1.38 0.97 o
-4 1 1 413.36 439.21 13.52 o
-3 1 1 45.92 51.94 3.44 o
-2 1 1 12125.86 12071.15 244.20 o
-1 1 1 3761.20 3713.10 62.59 o
0 1 1 4463.05 3857.07 65.20 o
1 1 1 9111.47 7865.84 134.91 o
2 1 1 1274.45 1160.75 27.32 o
3 1 1 4193.94 4013.75 100.85 o
4 1 1 957.06 1035.66 25.21 o
5 1 1 5.05 6.77 4.53 o
-6 2 1 1375.30 1369.53 37.98 o
-5 2 1 2601.11 2532.66 57.91 o
-4 2 1 392.66 421.79 18.11 o
-3 2 1 783.56 656.66 26.75 o
-2 2 1 2021.24 2163.59 38.79 o
-1 2 1 1078.94 1078.17 33.60 o
0 2 1 17.15 31.00 1.63 o
1 2 1 4383.17 4040.70 103.19 o
2 2 1 2912.39 2602.16 70.36 o
3 2 1 636.47 648.59 21.81 o
4 2 1 2720.50 2946.05 63.51 o
5 2 1 534.11 502.16 25.17 o
-6 3 1 310.69 311.07 12.57 o
-5 3 1 2408.78 2472.48 112.95 o
-4 3 1 3969.27 3752.17 79.40 o
-3 3 1 2759.61 2871.73 60.16 o
-2 3 1 5064.13 4044.53 175.52 o
-1 3 1 1966.39 2273.63 38.25 o
0 3 1 379.94 395.10 16.86 o
1 3 1 1532.39 1673.22 39.75 o
2 3 1 163.84 170.88 8.80 o
3 3 1 42.49 48.24 4.20 o
4 3 1 361.61 334.00 14.54 o
-6 4 1 13.35 18.86 4.13 o
-5 4 1 4.43 12.14 5.09 o
-4 4 1 1798.48 1743.16 45.12 o
-3 4 1 550.23 561.77 19.25 o
-2 4 1 2289.84 2469.76 43.10 o
-1 4 1 5831.04 5769.32 131.29 o
0 4 1 1811.62 1872.18 58.28 o
1 4 1 2381.41 2584.33 60.57 o
2 4 1 1125.55 1233.21 37.23 o
3 4 1 163.20 164.06 13.95 o
-5 5 1 1657.72 1734.50 57.60 o
-4 5 1 177.62 181.59 12.15 o
-3 5 1 184.87 188.69 15.65 o
-2 5 1 118.02 137.46 7.00 o
-1 5 1 1107.64 1149.57 27.31 o
0 5 1 625.34 667.64 24.75 o
1 5 1 573.90 597.86 23.92 o
2 5 1 2346.74 2389.12 151.71 o
-4 6 1 3150.37 3255.35 94.27 o
-3 6 1 214.18 227.23 13.12 o
-2 6 1 1222.14 1293.30 80.42 o
-1 6 1 669.59 704.49 19.45 o
0 6 1 159.25 170.92 10.78 o
-1 -6 2 889.20 940.37 28.17 o
0 -6 2 198.24 217.76 13.01 o
1 -6 2 5.47 5.64 3.46 o
2 -6 2 81.07 90.87 6.48 o
3 -6 2 99.53 99.90 6.99 o
4 -6 2 128.23 137.46 14.17 o
5 -6 2 321.77 329.76 12.52 o
-2 -5 2 811.52 768.43 25.60 o
-1 -5 2 174.39 165.45 15.17 o
0 -5 2 3010.38 3090.60 133.28 o
1 -5 2 627.64 627.32 18.07 o
2 -5 2 949.54 977.70 29.79 o
3 -5 2 721.81 762.47 22.36 o
4 -5 2 1.44 7.66 2.86 o
5 -5 2 189.11 197.96 11.40 o
-3 -4 2 551.51 500.61 23.80 o
-2 -4 2 1120.76 1133.83 34.49 o
-1 -4 2 36.89 51.23 13.06 o
0 -4 2 709.50 678.37 47.11 o
1 -4 2 2781.10 2858.82 48.37 o
2 -4 2 67.22 66.20 5.95 o
3 -4 2 3121.80 2920.95 72.73 o
4 -4 2 1157.42 1128.73 48.30 o
5 -4 2 441.06 423.61 16.54 o
6 -4 2 888.95 875.99 34.12 o
-4 -3 2 96.57 87.95 10.52 o
-3 -3 2 1995.06 1837.95 37.92 o
-2 -3 2 586.00 590.30 16.93 o
-1 -3 2 10.55 28.36 4.90 o
0 -3 2 2306.68 2318.85 66.43 o
1 -3 2 1616.85 1719.99 58.00 o
2 -3 2 277.69 312.89 11.83 o
3 -3 2 98.00 92.50 5.10 o
4 -3 2 1974.99 1900.83 38.03 o
5 -3 2 79.05 78.08 10.35 o
6 -3 2 1037.49 1065.84 34.73 o
-5 -2 2 918.31 903.72 38.29 o
-4 -2 2 358.80 377.04 17.23 o
-3 -2 2 783.59 806.80 19.28 o
-2 -2 2 7445.78 6896.06 72.24 o
-1 -2 2 34.64 39.91 4.66 o
0 -2 2 3058.56 2892.45 50.75 o
1 -2 2 1759.38 1674.31 47.73 o
2 -2 2 18.70 29.16 2.51 o
3 -2 2 2964.75 2764.29 39.00 o
4 -2 2 301.14 294.35 20.26 o
5 -2 2 82.03 75.83 5.51 o
6 -2 2 17.08 24.31 4.68 o
-5 -1 2 297.32 264.44 38.25 o
-4 -1 2 409.44 396.58 17.45 o
-3 -1 2 490.63 476.40 13.65 o
-2 -1 2 963.94 919.99 26.39 o
-1 -1 2 2803.61 2470.91 64.33 o
0 -1 2 499.94 593.29 17.50 o
2 -1 2 24.61 30.27 3.52 o
3 -1 2 1209.39 1175.99 42.04 o
4 -1 2 3072.03 3122.44 86.77 o
5 -1 2 5.74 10.39 2.13 o
6 -1 2 974.19 986.18 30.20 o
-6 0 2 533.05 493.17 24.29 o
-5 0 2 2561.00 2539.01 59.42 o
-4 0 2 1268.07 1325.03 28.33 o
-3 0 2 859.53 833.86 18.26 o
-2 0 2 1351.64 1151.99 36.66 o
-1 0 2 197.43 257.73 6.95 o
0 0 2 638.81 639.86 10.63 o
1 0 2 54.84 51.33 4.61 o
2 0 2 3199.42 2997.78 83.26 o
3 0 2 13.39 9.64 1.76 o
4 0 2 2742.39 2998.17 63.24 o
5 0 2 603.14 624.43 18.31 o
6 0 2 151.89 140.20 7.43 o
-6 1 2 149.33 147.09 12.98 o
-5 1 2 745.82 755.68 24.15 o
-4 1 2 2099.19 2044.10 32.84 o
-3 1 2 1315.91 1434.20 26.33 o
-2 1 2 6656.94 6059.47 109.34 o
-1 1 2 4679.92 4230.04 58.83 o
0 1 2 1604.22 1609.90 29.60 o
1 1 2 1486.63 1329.38 40.08 o
2 1 2 1.82 5.74 1.57 o
3 1 2 164.76 188.21 10.39 o
4 1 2 153.87 152.77 8.08 o
5 1 2 642.90 683.96 41.19 o
-6 2 2 88.91 97.72 10.09 o
-5 2 2 524.34 527.45 38.32 o
-4 2 2 516.87 520.31 19.44 o
-3 2 2 641.96 743.82 174.48 o
-2 2 2 427.75 491.80 13.24 o
-1 2 2 3500.47 2921.82 69.99 o
0 2 2 1282.04 1376.36 65.41 o
1 2 2 3915.35 3434.40 89.57 o
2 2 2 3091.47 3065.57 71.96 o
3 2 2 257.50 273.47 13.94 o
4 2 2 967.16 1003.00 24.20 o
5 2 2 213.68 183.69 30.31 o
-6 3 2 305.33 279.06 15.92 o
-5 3 2 1339.81 1402.19 56.01 o
-4 3 2 2706.23 2522.46 56.68 o
-3 3 2 82.98 76.97 5.86 o
-2 3 2 1388.23 1329.67 41.37 o
-1 3 2 82.74 93.02 10.96 o
0 3 2 1003.40 1037.82 28.21 o
1 3 2 24.82 21.00 5.08 o
2 3 2 1514.78 1595.17 34.72 o
3 3 2 750.43 763.17 18.74 o
4 3 2 545.05 507.70 13.95 o
-6 4 2 1536.88 1409.42 44.98 o
-5 4 2 81.52 122.14 14.70 o
-4 4 2 4258.42 4194.81 87.59 o
-3 4 2 1124.36 1136.94 31.42 o
-2 4 2 836.35 855.79 40.08 o
-1 4 2 5004.94 5135.48 70.75 o
0 4 2 117.75 151.01 7.06 o
1 4 2 459.69 528.48 31.67 o
2 4 2 140.17 159.31 17.40 o
3 4 2 304.21 285.39 31.68 o
-5 5 2 4.82 21.04 16.34 o
-4 5 2 18.53 23.75 4.34 o
-3 5 2 3042.66 3170.54 98.01 o
-2 5 2 67.55 78.08 6.22 o
-1 5 2 2255.38 2357.19 45.52 o
0 5 2 1607.75 1816.20 46.81 o
1 5 2 227.17 241.06 20.75 o
2 5 2 2106.94 2083.89 132.82 o
-4 6 2 988.62 1053.11 30.23 o
-3 6 2 54.41 63.78 8.94 o
-2 6 2 10.03 15.25 4.76 o
-1 6 2 144.99 158.82 8.26 o
0 6 2 1468.71 1357.51 92.96 o
-1 -6 3 77.30 86.72 7.35 o
0 -6 3 4.81 5.38 2.38 o
1 -6 3 763.29 676.64 32.36 o
2 -6 3 131.33 140.35 8.02 o
3 -6 3 762.92 703.92 31.02 o
4 -6 3 1213.10 1249.06 48.73 o
-2 -5 3 1582.87 1527.98 40.01 o
-1 -5 3 46.17 55.83 12.23 o
0 -5 3 2238.90 2497.56 80.41 o
1 -5 3 131.22 130.51 12.83 o
2 -5 3 96.99 106.33 8.72 o
3 -5 3 167.87 187.34 10.25 o
4 -5 3 664.73 665.94 24.89 o
5 -5 3 154.07 161.95 9.95 o
-3 -4 3 17.29 19.28 6.16 o
-2 -4 3 2773.54 2751.53 64.18 o
-1 -4 3 823.04 858.24 36.95 o
0 -4 3 1342.40 1450.62 51.16 o
1 -4 3 5537.69 5365.32 101.16 o
2 -4 3 32.26 31.00 4.28 o
3 -4 3 3389.76 3256.11 85.40 o
4 -4 3 668.20 653.62 19.23 o
5 -4 3 8.29 10.97 2.80 o
6 -4 3 272.08 263.24 13.84 o
-4 -3 3 5.84 11.37 4.01 o
-3 -3 3 264.59 253.61 23.84 o
-2 -3 3 7.46 9.00 2.02 o
-1 -3 3 1595.11 1634.61 52.65 o
0 -3 3 623.00 630.19 25.36 o
1 -3 3 4303.49 4121.02 74.95 o
2 -3 3 3081.57 2935.95 49.08 o
3 -3 3 77.26 80.63 4.96 o
4 -3 3 5982.00 5949.97 95.11 o
5 -3 3 66.65 70.35 7.08 o
6 -3 3 960.49 922.00 25.20 o
-5 -2 3 1409.08 1384.26 34.11 o
-4 -2 3 1165.70 1138.03 55.27 o
-3 -2 3 866.24 905.48 23.86 o
-2 -2 3 4763.29 4566.83 72.18 o
-1 -2 3 8.89 15.43 3.89 o
0 -2 3 195.97 183.66 6.07 o
1 -2 3 966.98 919.07 37.86 o
2 -2 3 1984.92 2067.83 107.46 o
3 -2 3 224.11 240.37 9.69 o
4 -2 3 390.26 403.71 54.98 o
5 -2 3 2738.49 2716.46 79.53 o
6 -2 3 13.63 15.58 3.73 o
-5 -1 3 132.53 136.67 9.74 o
-4 -1 3 2317.16 2208.16 107.34 o
-3 -1 3 434.18 458.31 14.76 o
-2 -1 3 3058.58 2911.90 81.39 o
-1 -1 3 4242.63 3809.31 66.90 o
0 -1 3 1243.31 1224.39 33.20 o
1 -1 3 9447.34 8273.67 142.38 o
2 -1 3 363.29 357.42 18.82 o
3 -1 3 5.56 19.02 2.46 o
4 -1 3 1149.09 1162.15 48.06 o
5 -1 3 34.45 43.52 4.46 o
6 -1 3 27.60 31.85 3.52 o
-6 0 3 101.56 98.27 6.91 o
-5 0 3 783.97 804.63 29.60 o
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-3 0 3 315.20 301.40 10.79 o
-2 0 3 160.97 216.38 20.74 o
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0 0 3 979.97 943.47 17.18 o
2 0 3 6139.68 6626.56 171.37 o
3 0 3 503.79 541.59 15.03 o
4 0 3 1913.92 2007.89 46.60 o
5 0 3 884.48 906.28 22.89 o
-6 1 3 1047.40 992.27 51.39 o
-5 1 3 778.14 774.87 29.65 o
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-3 1 3 71.69 85.54 4.05 o
-2 1 3 1208.99 1128.95 34.91 o
-1 1 3 1246.77 1274.62 35.51 o
0 1 3 1233.66 1342.26 37.06 o
1 1 3 0.88 48.65 25.44 o
2 1 3 739.49 825.50 22.64 o
3 1 3 1199.75 1294.18 27.88 o
4 1 3 21.78 23.82 3.96 o
5 1 3 1429.95 1473.28 51.90 o
-6 2 3 1000.44 991.04 37.57 o
-5 2 3 17.91 17.33 4.63 o
-4 2 3 2238.31 2308.91 66.92 o
-3 2 3 4598.25 3918.88 78.80 o
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-1 2 3 4578.93 3935.49 94.51 o
0 2 3 662.90 628.82 14.28 o
1 2 3 418.48 350.19 11.70 o
2 2 3 2131.29 2126.41 55.16 o
3 2 3 56.15 50.18 5.99 o
4 2 3 2.05 7.17 2.34 o
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-4 3 3 779.42 741.05 39.36 o
-3 3 3 1817.89 1790.01 61.16 o
-2 3 3 84.92 71.26 4.90 o
-1 3 3 759.64 765.91 38.76 o
0 3 3 5662.60 5512.61 103.80 o
1 3 3 49.22 67.21 6.51 o
2 3 3 1565.20 1731.12 47.98 o
3 3 3 1083.75 1168.58 30.77 o
4 3 3 158.82 150.24 6.64 o
-5 4 3 295.41 281.82 21.63 o
-4 4 3 1695.97 1687.66 34.73 o
-3 4 3 717.34 733.23 24.47 o
-2 4 3 319.01 326.25 12.80 o
-1 4 3 1596.41 1646.89 33.94 o
0 4 3 376.99 397.23 12.51 o
1 4 3 240.46 245.97 39.09 o
2 4 3 14.32 15.62 4.05 o
3 4 3 1605.08 1572.04 50.09 o
-5 5 3 559.69 563.94 27.31 o
-4 5 3 243.34 238.34 10.32 o
-3 5 3 3387.68 3683.49 113.54 o
-2 5 3 395.86 368.31 19.43 o
-1 5 3 982.50 1045.75 26.38 o
0 5 3 1305.83 1319.79 30.83 o
1 5 3 73.36 80.59 8.06 o
2 5 3 602.79 626.56 34.37 o
-4 6 3 2.04 3.72 1.76 o
-3 6 3 278.07 274.73 18.79 o
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0 6 3 1872.76 1623.84 160.27 o
0 -6 4 7.20 12.53 3.27 o
1 -6 4 3369.71 3424.65 108.47 o
2 -6 4 302.12 294.72 10.21 o
3 -6 4 984.34 942.10 23.82 o
4 -6 4 1736.54 1797.24 42.29 o
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