#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:07:28 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181906 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/06/2240697.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2240697
_cell_angle_alpha                90.000
_cell_angle_beta                 101.137
_cell_angle_gamma                90.000
_cell_length_a                   7.6600
_cell_length_b                   16.9116
_cell_length_c                   8.4124
_exptl_crystal_F_000             552.00
_reflns_d_resolution_high        0.7700
_cod_data_source_file            zl2623salt4sup5.hkl
_cod_data_source_block           salt4
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' User-defined'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            243.64
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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 -10 758.11 793.21 78.85 o
0 0 -10 1170.10 1200.83 93.35 o
2 0 -10 1243.38 1303.92 93.22 o
4 0 -10 893.07 844.04 79.79 o
-1 1 -10 186.36 184.07 26.98 o
1 1 -10 112.40 103.16 21.11 o
3 1 -10 646.91 597.21 43.68 o
-2 2 -10 405.36 413.61 44.19 o
0 2 -10 719.06 784.52 85.14 o
2 2 -10 721.79 698.27 80.84 o
4 2 -10 988.59 946.71 52.95 o
-1 3 -10 722.79 765.71 52.19 o
1 3 -10 947.15 1121.33 62.25 o
3 3 -10 831.40 813.39 51.84 o
5 3 -10 1096.16 1014.23 85.11 o
0 4 -10 19.53 15.59 13.35 o
2 4 -10 82.04 83.05 18.99 o
4 4 -10 12.31 10.19 13.34 o
-1 5 -10 1004.83 1026.10 70.68 o
1 5 -10 1195.14 1153.08 180.59 o
3 5 -10 1110.19 1038.08 76.34 o
5 5 -10 733.85 683.29 48.73 o
0 6 -10 561.68 526.91 101.59 o
2 6 -10 384.87 472.24 61.31 o
4 6 -10 495.69 498.94 37.86 o
1 7 -10 257.04 219.50 54.67 o
3 7 -10 610.39 624.62 47.84 o
2 8 -10 1237.60 1324.86 109.19 o
-3 1 -9 971.11 948.85 63.79 o
-1 1 -9 1403.18 1475.59 72.26 o
1 1 -9 2101.61 2195.72 85.80 o
3 1 -9 2251.60 2203.91 63.26 o
5 1 -9 1335.75 1200.45 42.06 o
-2 2 -9 750.97 709.88 50.34 o
0 2 -9 1046.44 1104.28 56.29 o
2 2 -9 1400.44 1470.57 122.73 o
4 2 -9 732.41 747.72 33.91 o
6 2 -9 557.51 485.88 67.25 o
-3 3 -9 73.78 92.32 22.00 o
-1 3 -9 374.65 364.67 32.27 o
1 3 -9 225.37 240.56 29.32 o
3 3 -9 261.70 249.18 20.77 o
5 3 -9 243.38 234.11 23.65 o
-2 4 -9 1326.88 1424.83 79.31 o
0 4 -9 1562.89 1610.95 74.83 o
2 4 -9 2301.47 2404.76 125.08 o
4 4 -9 2523.64 2426.46 91.64 o
6 4 -9 943.70 845.16 52.16 o
-3 5 -9 126.72 134.12 44.80 o
-1 5 -9 407.80 435.52 37.66 o
1 5 -9 290.80 297.65 31.61 o
3 5 -9 700.54 697.78 31.44 o
5 5 -9 137.06 125.12 25.29 o
-2 6 -9 509.71 497.72 40.71 o
0 6 -9 1090.99 1142.10 58.70 o
2 6 -9 870.10 857.37 90.59 o
4 6 -9 752.55 785.41 46.59 o
6 6 -9 863.71 844.20 58.98 o
-1 7 -9 907.24 902.70 56.22 o
1 7 -9 1320.52 1323.43 157.98 o
3 7 -9 959.40 1020.08 64.09 o
5 7 -9 1056.22 1004.35 65.28 o
-2 8 -9 6.25 7.04 25.38 o
0 8 -9 25.21 33.54 15.69 o
2 8 -9 16.52 -7.60 24.75 o
4 8 -9 27.85 12.05 13.32 o
-1 9 -9 805.88 832.49 93.77 o
1 9 -9 1510.72 1525.88 141.84 o
3 9 -9 1316.71 1323.76 71.76 o
5 9 -9 1233.39 1220.92 69.53 o
0 10 -9 1145.87 1099.00 106.21 o
2 10 -9 527.23 563.22 49.35 o
4 10 -9 380.15 389.82 42.07 o
-1 11 -9 529.28 536.23 79.12 o
1 11 -9 209.98 243.32 59.33 o
3 11 -9 146.02 144.00 25.16 o
2 12 -9 804.34 825.59 58.33 o
-4 0 -8 1488.30 1469.50 116.08 o
-2 0 -8 2152.06 2186.64 135.22 o
0 0 -8 3725.32 3898.61 175.24 o
2 0 -8 3716.48 3943.45 158.60 o
4 0 -8 6152.46 5861.76 143.54 o
6 0 -8 2617.50 2283.53 124.77 o
-5 1 -8 339.92 230.25 42.54 o
-3 1 -8 283.58 324.35 32.11 o
-1 1 -8 461.14 500.30 32.54 o
1 1 -8 708.10 690.55 37.89 o
3 1 -8 368.45 369.84 15.64 o
5 1 -8 139.49 149.13 13.40 o
-4 2 -8 1265.13 1288.02 70.36 o
-2 2 -8 1296.33 1359.21 65.81 o
0 2 -8 1986.23 2084.26 78.12 o
2 2 -8 1970.53 1977.54 71.26 o
4 2 -8 721.78 686.57 20.85 o
6 2 -8 1076.26 976.66 50.52 o
-5 3 -8 660.27 630.45 56.30 o
-3 3 -8 1880.38 1939.53 128.17 o
-1 3 -8 1909.75 1970.76 77.15 o
1 3 -8 2566.54 2694.17 90.72 o
3 3 -8 2325.94 2318.42 57.53 o
5 3 -8 2366.65 2326.26 80.14 o
7 3 -8 867.66 762.85 51.74 o
-4 4 -8 18.10 40.32 18.03 o
-2 4 -8 144.00 188.00 28.71 o
0 4 -8 239.48 225.63 24.01 o
2 4 -8 184.08 154.18 21.66 o
4 4 -8 279.73 254.04 19.34 o
6 4 -8 6.81 19.23 17.90 o
-3 5 -8 1548.44 1691.81 98.24 o
-1 5 -8 2521.05 2524.96 98.33 o
1 5 -8 3680.31 3788.11 192.05 o
3 5 -8 3355.67 3453.65 82.80 o
5 5 -8 2094.06 2129.16 86.78 o
7 5 -8 1482.78 1390.53 69.15 o
-4 6 -8 601.33 638.45 52.22 o
-2 6 -8 833.09 883.59 118.33 o
0 6 -8 1097.20 1129.09 51.39 o
2 6 -8 1114.67 1130.39 53.75 o
4 6 -8 570.81 577.39 55.84 o
6 6 -8 559.76 566.48 42.21 o
-3 7 -8 300.99 375.55 55.38 o
-1 7 -8 842.71 913.50 66.43 o
1 7 -8 431.31 446.64 32.21 o
3 7 -8 944.31 978.56 49.21 o
5 7 -8 419.40 428.38 40.14 o
7 7 -8 179.37 233.33 41.30 o
-4 8 -8 657.21 1088.18 306.59 o
-2 8 -8 1622.52 1677.94 81.13 o
0 8 -8 2372.88 2391.18 129.97 o
2 8 -8 2385.00 2498.65 148.28 o
4 8 -8 3454.36 3394.13 123.94 o
6 8 -8 1255.78 1182.57 67.66 o
-3 9 -8 59.36 58.08 19.20 o
-1 9 -8 289.85 316.60 31.64 o
1 9 -8 183.77 154.74 22.99 o
3 9 -8 107.66 156.99 21.52 o
5 9 -8 49.38 99.46 21.17 o
-2 10 -8 1065.61 1056.26 57.80 o
0 10 -8 1321.24 1308.72 210.24 o
2 10 -8 1827.52 1871.01 77.43 o
4 10 -8 986.78 1031.89 65.43 o
6 10 -8 810.56 792.42 60.10 o
-3 11 -8 588.30 607.39 55.49 o
-1 11 -8 941.60 880.32 68.33 o
1 11 -8 1215.93 1230.39 96.00 o
3 11 -8 1772.11 1901.11 91.06 o
5 11 -8 957.74 995.87 62.66 o
-2 12 -8 34.26 29.49 17.07 o
0 12 -8 190.72 142.20 43.60 o
2 12 -8 70.11 96.08 20.21 o
4 12 -8 57.51 50.93 25.29 o
-1 13 -8 1249.91 1271.79 124.79 o
1 13 -8 1624.20 1770.04 146.41 o
3 13 -8 1474.94 1559.38 92.50 o
0 14 -8 403.37 487.80 62.72 o
2 14 -8 766.13 758.29 56.88 o
-5 1 -7 886.47 884.42 56.57 o
-3 1 -7 1923.55 2048.79 84.78 o
-1 1 -7 4188.71 4159.37 116.06 o
1 1 -7 4329.95 4480.00 111.07 o
3 1 -7 4816.75 4897.22 77.66 o
5 1 -7 2552.15 2414.44 49.91 o
7 1 -7 1322.39 1202.02 61.11 o
-6 2 -7 431.86 412.22 51.24 o
-4 2 -7 723.60 758.99 51.74 o
-2 2 -7 2310.33 2320.56 84.45 o
0 2 -7 2144.01 2169.06 69.27 o
2 2 -7 3356.41 3436.08 93.74 o
4 2 -7 2837.10 2709.57 49.54 o
6 2 -7 1055.91 1018.68 51.76 o
8 2 -7 572.19 606.41 57.92 o
-5 3 -7 288.97 294.88 43.43 o
-3 3 -7 376.57 394.88 39.40 o
-1 3 -7 450.10 405.69 31.49 o
1 3 -7 1013.13 987.97 77.83 o
3 3 -7 692.36 666.19 18.91 o
5 3 -7 1250.87 1136.40 36.03 o
7 3 -7 394.72 358.70 32.03 o
-6 4 -7 680.42 649.30 61.87 o
-4 4 -7 1483.41 1456.11 107.98 o
-2 4 -7 2544.47 2610.16 86.80 o
0 4 -7 6040.76 6338.51 154.84 o
2 4 -7 4840.53 5133.88 128.87 o
4 4 -7 4991.11 4712.85 189.63 o
6 4 -7 2682.28 2605.45 103.51 o
8 4 -7 1236.04 1210.63 78.33 o
-5 5 -7 114.04 134.48 26.55 o
-3 5 -7 46.73 64.38 20.84 o
-1 5 -7 598.51 603.34 38.76 o
1 5 -7 533.88 529.81 30.05 o
3 5 -7 1138.08 1106.87 33.03 o
5 5 -7 1326.85 1287.82 91.56 o
7 5 -7 154.34 171.16 27.36 o
-4 6 -7 1033.21 1075.58 71.28 o
-2 6 -7 1809.31 1818.88 71.74 o
0 6 -7 1586.37 1598.41 58.35 o
2 6 -7 2360.36 2348.94 70.20 o
4 6 -7 1047.46 1027.89 45.56 o
6 6 -7 1099.21 1090.47 64.91 o
8 6 -7 407.03 368.71 40.95 o
-5 7 -7 847.96 843.06 67.13 o
-3 7 -7 2289.21 2477.36 106.49 o
-1 7 -7 2971.52 2905.48 95.56 o
1 7 -7 3951.06 3907.84 314.87 o
3 7 -7 3699.25 3780.01 119.44 o
5 7 -7 2155.93 2195.04 85.55 o
7 7 -7 1475.23 1417.98 77.72 o
-4 8 -7 100.39 107.67 24.10 o
-2 8 -7 23.92 21.47 11.80 o
0 8 -7 0.71 2.40 7.41 o
2 8 -7 52.76 42.45 10.88 o
4 8 -7 10.84 23.44 11.25 o
6 8 -7 13.93 10.91 22.60 o
-5 9 -7 807.71 813.52 55.87 o
-3 9 -7 1606.78 1652.24 74.22 o
-1 9 -7 2542.41 2588.06 95.82 o
1 9 -7 3946.79 3941.26 253.33 o
3 9 -7 2215.54 2267.97 81.40 o
5 9 -7 1671.59 1753.44 79.09 o
7 9 -7 1159.96 1128.21 71.42 o
-4 10 -7 752.34 778.38 56.06 o
-2 10 -7 1004.47 1014.21 71.73 o
0 10 -7 628.83 613.58 77.09 o
2 10 -7 1782.00 1873.10 76.75 o
4 10 -7 1326.33 1263.26 63.18 o
6 10 -7 932.30 900.10 58.26 o
-3 11 -7 513.33 534.41 42.53 o
-1 11 -7 313.22 298.41 38.10 o
1 11 -7 685.68 709.28 71.08 o
3 11 -7 512.50 511.41 41.59 o
5 11 -7 490.13 515.43 42.96 o
-4 12 -7 1158.21 1204.61 99.61 o
-2 12 -7 1733.46 1735.62 78.72 o
0 12 -7 4213.90 4085.89 371.37 o
2 12 -7 2410.94 2566.27 94.83 o
4 12 -7 1461.76 1558.51 78.98 o
6 12 -7 1514.65 1586.96 94.93 o
-3 13 -7 253.74 292.58 37.26 o
-1 13 -7 20.22 34.99 25.39 o
1 13 -7 148.71 76.01 27.84 o
3 13 -7 42.75 35.89 18.65 o
5 13 -7 297.24 271.93 34.84 o
-2 14 -7 1040.78 989.86 61.37 o
0 14 -7 499.69 519.70 66.80 o
2 14 -7 1279.93 1302.04 67.01 o
4 14 -7 1324.89 1353.81 82.60 o
-1 15 -7 1163.66 1188.95 117.01 o
1 15 -7 1654.27 1705.32 83.04 o
3 15 -7 1041.86 1083.68 70.07 o
0 16 -7 131.87 116.98 18.58 o
2 16 -7 41.96 34.01 15.00 o
-6 0 -6 1080.73 1155.26 90.83 o
-4 0 -6 4420.41 4351.60 195.98 o
-2 0 -6 4206.50 4179.47 155.38 o
0 0 -6 9366.55 9786.71 279.54 o
2 0 -6 10880.85 11362.04 310.09 o
4 0 -6 3488.98 3379.47 75.46 o
6 0 -6 3227.13 3061.55 91.18 o
8 0 -6 2439.05 2130.05 130.19 o
-7 1 -6 123.58 136.19 25.74 o
-5 1 -6 233.23 262.54 28.57 o
-3 1 -6 2352.46 2361.72 82.48 o
-1 1 -6 850.67 895.66 36.19 o
1 1 -6 1171.88 1220.04 40.32 o
3 1 -6 1397.30 1392.20 26.88 o
5 1 -6 3631.99 3578.96 64.75 o
7 1 -6 825.64 766.09 36.48 o
-6 2 -6 932.56 922.43 57.56 o
-4 2 -6 1742.37 1721.19 71.72 o
-2 2 -6 5595.73 5562.82 137.12 o
0 2 -6 4023.70 4011.76 93.85 o
2 2 -6 4183.75 4320.56 110.08 o
4 2 -6 5157.73 5057.41 74.96 o
6 2 -6 2329.71 2181.66 50.10 o
8 2 -6 510.77 428.47 43.80 o
-5 3 -6 1864.41 1913.02 82.51 o
-3 3 -6 4868.32 4806.09 147.04 o
-1 3 -6 6427.88 6566.98 152.97 o
1 3 -6 9620.79 10063.05 196.61 o
3 3 -6 5650.85 5623.07 81.03 o
5 3 -6 1497.45 1446.57 32.28 o
7 3 -6 2149.79 2029.98 132.86 o
9 3 -6 1105.10 921.04 93.29 o
-6 4 -6 31.91 49.61 18.24 o
-4 4 -6 1.42 34.47 39.88 o
-2 4 -6 249.93 261.53 20.91 o
0 4 -6 271.47 308.30 18.58 o
2 4 -6 291.28 280.58 18.49 o
4 4 -6 244.73 240.77 10.11 o
6 4 -6 81.61 70.78 20.36 o
8 4 -6 117.85 186.53 30.02 o
-5 5 -6 1707.29 1710.41 85.04 o
-3 5 -6 3211.57 3247.86 101.55 o
-1 5 -6 5689.98 5840.85 139.42 o
1 5 -6 5284.40 5284.42 142.33 o
3 5 -6 5956.32 5911.98 102.75 o
5 5 -6 3994.24 4046.80 114.86 o
7 5 -6 1532.72 1436.03 76.88 o
-6 6 -6 593.41 501.59 49.07 o
-4 6 -6 1272.07 1314.46 64.54 o
-2 6 -6 2870.07 2875.48 105.93 o
0 6 -6 2491.52 2557.83 68.52 o
2 6 -6 3209.90 3265.28 76.18 o
4 6 -6 1820.34 1874.39 65.85 o
6 6 -6 1248.76 1349.65 65.32 o
8 6 -6 799.56 717.94 59.53 o
-5 7 -6 366.15 316.25 38.69 o
-3 7 -6 574.20 606.20 43.32 o
-1 7 -6 1486.58 1512.32 78.46 o
1 7 -6 2598.84 2612.00 107.49 o
3 7 -6 1965.43 1961.16 63.65 o
5 7 -6 2712.55 2612.45 95.15 o
7 7 -6 689.40 623.20 46.52 o
-6 8 -6 855.08 832.98 65.40 o
-4 8 -6 2122.16 2138.87 92.77 o
-2 8 -6 3064.43 3084.65 96.71 o
0 8 -6 6874.02 7099.42 162.57 o
2 8 -6 5414.04 5380.45 96.15 o
4 8 -6 4427.53 4388.77 139.80 o
6 8 -6 2363.30 2482.53 102.33 o
8 8 -6 1076.77 1086.13 82.16 o
-5 9 -6 139.29 136.05 25.84 o
-3 9 -6 525.75 493.60 38.41 o
-1 9 -6 197.60 238.68 20.04 o
1 9 -6 302.54 315.02 19.39 o
3 9 -6 86.21 110.35 17.89 o
5 9 -6 532.76 489.10 44.51 o
7 9 -6 86.34 64.17 27.58 o
-4 10 -6 747.79 776.39 53.05 o
-2 10 -6 2066.76 2160.02 81.47 o
0 10 -6 2309.81 2319.53 71.94 o
2 10 -6 2738.22 2752.43 91.52 o
4 10 -6 3662.39 3728.50 121.18 o
6 10 -6 1556.34 1651.16 96.65 o
-5 11 -6 785.57 858.49 69.47 o
-3 11 -6 1160.05 1258.11 66.42 o
-1 11 -6 3304.76 3445.87 179.60 o
1 11 -6 3726.50 3670.32 347.38 o
3 11 -6 3490.30 3576.12 118.14 o
5 11 -6 1805.74 1974.57 93.33 o
7 11 -6 1046.87 1124.72 80.28 o
-4 12 -6 76.76 81.51 22.52 o
-2 12 -6 104.78 106.59 19.52 o
0 12 -6 170.38 174.99 17.05 o
2 12 -6 275.36 243.52 24.37 o
4 12 -6 11.81 16.01 15.89 o
6 12 -6 41.58 29.64 17.80 o
-3 13 -6 1335.28 1430.60 73.57 o
-1 13 -6 2072.50 2097.36 76.08 o
1 13 -6 2357.60 2436.10 87.93 o
3 13 -6 2833.93 2982.45 110.53 o
5 13 -6 2076.35 2041.30 102.12 o
-4 14 -6 172.24 189.40 32.88 o
-2 14 -6 615.70 604.39 43.11 o
0 14 -6 941.98 857.06 89.43 o
2 14 -6 909.05 909.20 57.32 o
4 14 -6 968.31 951.26 98.79 o
6 14 -6 411.49 421.77 62.57 o
-3 15 -6 500.88 502.08 42.38 o
-1 15 -6 512.44 462.41 69.30 o
1 15 -6 1081.90 1072.77 57.93 o
3 15 -6 509.37 505.03 40.73 o
5 15 -6 332.02 351.12 39.11 o
-2 16 -6 1132.10 1172.02 108.24 o
0 16 -6 1969.28 2008.86 85.26 o
2 16 -6 2032.38 2099.18 97.75 o
4 16 -6 1435.10 1448.58 77.61 o
-1 17 -6 100.36 126.75 41.38 o
1 17 -6 156.55 186.89 42.02 o
3 17 -6 53.51 33.68 25.05 o
0 18 -6 598.40 613.41 53.82 o
2 18 -6 1008.00 1020.00 64.44 o
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-5 1 -5 2575.61 2535.12 90.54 o
-3 1 -5 4086.28 4219.37 115.93 o
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1 1 -5 8868.95 9246.25 162.80 o
3 1 -5 9143.68 9113.13 104.52 o
5 1 -5 6588.11 6451.21 97.72 o
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4 2 -5 4657.86 4713.11 65.21 o
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8 2 -5 641.64 585.25 35.07 o
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-5 3 -5 340.24 351.57 37.84 o
-3 3 -5 1499.17 1419.60 50.66 o
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1 3 -5 2557.20 2641.35 124.22 o
3 3 -5 1386.18 1313.60 21.71 o
5 3 -5 686.08 644.96 19.64 o
7 3 -5 719.24 636.84 33.27 o
9 3 -5 150.42 180.17 38.45 o
-6 4 -5 1157.15 1177.16 63.41 o
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0 4 -5 9409.96 9586.44 178.95 o
2 4 -5 12092.58 12222.25 202.47 o
4 4 -5 8911.78 8761.68 152.16 o
6 4 -5 7216.16 6768.59 240.22 o
8 4 -5 1984.08 2082.51 101.65 o
-7 5 -5 147.55 144.31 28.32 o
-5 5 -5 356.12 347.55 38.28 o
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1 5 -5 2858.68 2996.88 112.73 o
3 5 -5 1516.59 1499.46 51.29 o
5 5 -5 1762.95 1777.66 65.91 o
7 5 -5 521.48 524.51 43.65 o
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-6 6 -5 1068.38 1056.10 71.41 o
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0 6 -5 5507.93 5660.43 115.32 o
2 6 -5 5517.57 5569.78 115.69 o
4 6 -5 3257.70 3303.90 128.20 o
6 6 -5 924.41 942.68 100.70 o
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-7 7 -5 667.77 720.61 94.78 o
-5 7 -5 1628.95 1610.86 127.51 o
-3 7 -5 3048.08 3199.88 101.21 o
-1 7 -5 6875.26 6969.91 148.36 o
1 7 -5 7604.04 7730.71 140.84 o
3 7 -5 7204.45 7271.49 168.98 o
5 7 -5 4127.30 4313.20 133.28 o
7 7 -5 1942.60 2087.14 99.11 o
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1 9 8 305.20 326.41 51.04 o
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1 1 9 1413.55 1364.04 65.03 o
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1 3 9 388.53 354.03 29.95 o
3 3 9 79.78 72.97 23.85 o
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1 5 9 405.48 442.43 38.23 o
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