#------------------------------------------------------------------------------
#$Date: 2016-12-03 04:06:59 +0200 (Sat, 03 Dec 2016) $
#$Revision: 188863 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/47/1544710.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_1544710
_cell_angle_alpha                90.000
_cell_angle_beta                 91.481
_cell_angle_gamma                90.000
_cell_length_a                   4.4865
_cell_length_b                   15.7001
_cell_length_c                   13.6313
_exptl_crystal_F_000             736.00
_reflns_d_resolution_high        0.8108
_cod_data_source_file            sj4071Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' PbAcTh in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            350.60
_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 84015.71 81089.77 1989.95 o
4 0 0 31627.62 29542.82 1456.87 o
1 1 0 20.37 48.41 5.92 o
2 1 0 754.19 804.67 22.72 o
3 1 0 112.64 140.56 15.39 o
4 1 0 925.66 894.55 25.85 o
5 1 0 95.76 110.24 10.34 o
0 2 0 3431.84 3500.62 139.06 o
1 2 0 34645.00 34792.55 652.38 o
2 2 0 14416.82 14938.18 370.32 o
3 2 0 23855.42 23704.39 507.21 o
4 2 0 4417.15 4366.99 94.10 o
5 2 0 12652.93 11933.55 239.39 o
1 3 0 1.26 0.00 10.24 o
2 3 0 607.27 643.47 44.43 o
3 3 0 69.70 52.30 10.59 o
4 3 0 739.18 768.70 45.36 o
5 3 0 134.80 168.39 22.65 o
0 4 0 42018.18 39989.78 1048.38 o
1 4 0 11685.84 12037.77 222.99 o
2 4 0 23828.43 23495.87 515.02 o
3 4 0 9090.40 8880.59 230.43 o
4 4 0 15551.41 15218.73 336.43 o
5 4 0 5106.11 5092.33 135.66 o
1 5 0 4079.43 4358.98 92.91 o
2 5 0 608.39 606.26 18.94 o
3 5 0 16.26 2.08 15.85 o
4 5 0 101.29 93.93 17.55 o
5 5 0 249.16 277.78 28.16 o
0 6 0 105537.60 97705.56 2167.63 o
1 6 0 18345.94 18689.27 361.98 o
2 6 0 58888.49 58093.92 1067.98 o
3 6 0 5301.77 5467.26 151.56 o
4 6 0 23615.40 24282.94 476.24 o
5 6 0 2138.08 2117.98 61.43 o
1 7 0 465.34 461.93 16.93 o
2 7 0 522.86 539.61 19.12 o
3 7 0 477.92 488.22 33.04 o
4 7 0 425.73 453.78 25.05 o
5 7 0 4.94 23.96 19.22 o
0 8 0 3017.36 3168.24 69.41 o
1 8 0 42726.32 42535.75 806.52 o
2 8 0 328.95 359.19 14.67 o
3 8 0 26533.24 27144.97 622.03 o
4 8 0 693.03 659.48 31.22 o
5 8 0 10410.26 10652.16 225.21 o
1 9 0 686.07 693.27 22.30 o
2 9 0 53.85 59.23 8.20 o
3 9 0 236.22 232.64 23.26 o
4 9 0 75.99 109.30 18.79 o
0 10 0 45941.22 44817.48 969.96 o
1 10 0 1710.19 1674.30 41.75 o
2 10 0 34087.76 33389.10 720.80 o
3 10 0 513.83 478.08 17.83 o
4 10 0 19338.59 19441.75 481.63 o
1 11 0 46.39 66.15 10.98 o
2 11 0 111.60 134.63 12.72 o
3 11 0 12.73 48.76 10.07 o
4 11 0 19.29 14.96 14.88 o
0 12 0 18837.98 18780.59 442.61 o
1 12 0 18478.05 18307.90 423.03 o
2 12 0 17761.36 17683.62 396.97 o
3 12 0 9060.34 8874.76 160.52 o
4 12 0 6001.91 5897.28 136.42 o
1 13 0 44.00 51.65 17.82 o
2 13 0 975.55 992.20 39.02 o
3 13 0 304.93 255.76 16.14 o
4 13 0 1359.81 1362.57 47.14 o
0 14 0 15156.44 15214.12 591.57 o
1 14 0 14486.92 13997.83 313.50 o
2 14 0 10207.07 10056.28 191.15 o
3 14 0 9773.32 9696.51 157.19 o
1 15 0 68.96 77.17 16.07 o
2 15 0 29.74 20.04 15.82 o
3 15 0 102.24 140.92 19.40 o
0 16 0 26484.64 26091.18 1088.53 o
1 16 0 1892.06 1794.95 62.47 o
2 16 0 22037.94 21972.15 404.99 o
3 16 0 855.54 881.15 32.79 o
1 17 0 0.50 0.00 22.59 o
2 17 0 33.93 46.91 19.16 o
0 18 0 768.03 826.02 82.74 o
1 18 0 14432.11 14670.04 335.28 o
2 18 0 1771.19 1799.50 55.46 o
1 19 0 5.86 0.00 26.75 o
-5 0 1 9747.40 9527.86 259.31 o
-3 0 1 21771.09 20753.00 592.49 o
-1 0 1 25648.20 25491.13 533.90 o
3 0 1 15571.55 15537.29 446.30 o
5 0 1 6882.97 6709.11 190.85 o
-5 1 1 678.34 669.12 32.95 o
-4 1 1 8779.64 8650.04 193.02 o
-3 1 1 1113.02 1033.07 41.55 o
-2 1 1 16836.63 17218.42 300.26 o
-1 1 1 7628.20 7699.23 130.77 o
1 1 1 9216.45 9552.10 178.32 o
2 1 1 40403.76 40564.93 751.02 o
3 1 1 5838.04 5756.34 118.06 o
4 1 1 12283.90 11933.70 236.04 o
5 1 1 2015.03 1973.57 47.24 o
-5 2 1 1404.54 1336.50 47.77 o
-4 2 1 19611.21 18686.93 408.57 o
-3 2 1 993.73 985.57 30.90 o
-2 2 1 35104.12 35510.52 706.82 o
-1 2 1 1031.19 991.66 20.77 o
1 2 1 263.21 307.81 19.18 o
2 2 1 20018.14 20279.35 408.99 o
3 2 1 1635.44 1664.71 37.47 o
4 2 1 8007.34 7673.54 157.28 o
5 2 1 2129.27 2074.67 42.69 o
-5 3 1 3064.63 3063.89 73.15 o
-4 3 1 1202.13 1135.20 35.14 o
-3 3 1 13791.93 13746.01 299.22 o
-2 3 1 766.64 877.07 26.20 o
-1 3 1 15293.20 14485.45 218.18 o
0 3 1 5263.92 5239.28 119.96 o
1 3 1 34018.91 33831.55 673.46 o
2 3 1 3324.22 3369.63 74.39 o
3 3 1 12258.82 12332.76 271.79 o
4 3 1 117.43 110.64 14.50 o
5 3 1 8901.18 8901.62 183.82 o
-5 4 1 5957.18 5767.00 194.37 o
-4 4 1 6476.24 6190.27 131.63 o
-3 4 1 9523.81 9623.61 213.95 o
-2 4 1 16046.83 16238.00 407.09 o
-1 4 1 17038.04 17748.02 295.57 o
0 4 1 42129.84 39207.77 784.11 o
1 4 1 28063.94 29803.37 556.72 o
2 4 1 14514.40 14914.95 301.22 o
3 4 1 10179.58 10389.31 267.70 o
4 4 1 2265.32 2193.13 64.39 o
5 4 1 5286.89 5279.15 117.29 o
-5 5 1 93.96 95.25 17.54 o
-4 5 1 12497.09 12667.11 283.45 o
-3 5 1 8.23 16.49 16.53 o
-2 5 1 37321.52 38019.81 758.03 o
-1 5 1 3050.75 3226.53 66.00 o
0 5 1 39829.69 38889.63 721.26 o
1 5 1 29.74 71.52 16.01 o
2 5 1 39480.24 39221.29 779.63 o
3 5 1 185.76 232.90 24.10 o
4 5 1 16345.92 16083.47 357.10 o
5 5 1 11.34 26.21 17.07 o
-5 6 1 6585.46 6864.47 149.73 o
-4 6 1 2593.31 2582.02 65.03 o
-3 6 1 17333.67 17854.22 445.69 o
-2 6 1 3669.66 3520.60 67.65 o
-1 6 1 40706.68 40532.82 747.72 o
0 6 1 2529.06 2575.29 62.42 o
1 6 1 29310.44 29365.31 596.86 o
2 6 1 2951.58 2960.26 68.49 o
3 6 1 11515.08 11793.14 346.17 o
4 6 1 761.73 734.67 31.76 o
5 6 1 6359.90 6395.03 142.31 o
-5 7 1 668.01 719.27 35.30 o
-4 7 1 3223.01 3283.18 79.55 o
-3 7 1 3949.84 4263.77 124.00 o
-2 7 1 4734.56 4619.95 87.24 o
-1 7 1 13602.54 14034.19 234.66 o
0 7 1 9146.33 9304.83 178.81 o
1 7 1 15894.44 15936.94 397.78 o
2 7 1 5608.99 5645.99 122.20 o
3 7 1 11171.93 11364.09 271.55 o
4 7 1 4120.37 4127.76 96.23 o
5 7 1 5940.67 6129.73 138.97 o
-5 8 1 185.55 165.56 22.57 o
-4 8 1 16636.27 17083.47 341.40 o
-3 8 1 401.31 422.07 23.70 o
-2 8 1 18971.03 18684.45 352.88 o
-1 8 1 2313.42 2461.35 55.81 o
0 8 1 32690.65 32473.39 607.15 o
1 8 1 1859.27 1907.78 56.23 o
2 8 1 8444.58 8244.75 174.59 o
3 8 1 24.43 17.53 11.00 o
4 8 1 7002.80 7181.89 155.72 o
5 8 1 161.71 170.83 23.43 o
-4 9 1 4192.08 4302.17 101.64 o
-3 9 1 3770.75 3945.14 116.38 o
-2 9 1 6948.37 7075.11 121.88 o
-1 9 1 4188.54 4230.58 90.45 o
0 9 1 11128.00 11060.24 229.63 o
1 9 1 10526.64 10618.22 247.85 o
2 9 1 15678.14 15560.68 312.25 o
3 9 1 8734.98 8506.27 157.62 o
4 9 1 6444.98 6357.16 152.30 o
-4 10 1 544.79 614.83 42.25 o
-3 10 1 11351.12 11467.46 301.99 o
-2 10 1 1859.61 1939.82 42.30 o
-1 10 1 20504.75 20372.72 403.87 o
0 10 1 127.64 141.27 10.47 o
1 10 1 26033.56 25671.52 532.39 o
2 10 1 2005.38 2055.43 54.21 o
3 10 1 14523.26 14099.87 234.03 o
4 10 1 37.20 63.92 14.44 o
-4 11 1 6363.74 6263.44 176.47 o
-3 11 1 2151.57 2042.20 47.28 o
-2 11 1 21211.60 21014.27 427.51 o
-1 11 1 1411.41 1455.98 39.71 o
0 11 1 33535.96 32297.37 542.48 o
1 11 1 992.80 1049.18 37.92 o
2 11 1 18556.62 18299.15 365.79 o
3 11 1 926.52 925.52 26.70 o
4 11 1 10036.89 9872.76 244.94 o
-4 12 1 8382.97 8201.77 182.45 o
-3 12 1 5635.18 5569.19 103.90 o
-2 12 1 12197.97 12039.17 275.00 o
-1 12 1 8924.15 8630.09 232.67 o
0 12 1 11904.42 11745.14 192.08 o
1 12 1 7392.14 7319.95 147.76 o
2 12 1 7530.97 7609.41 163.56 o
3 12 1 5771.60 5512.87 104.60 o
4 12 1 2343.42 2208.98 60.75 o
-4 13 1 171.78 173.38 20.17 o
-3 13 1 4845.54 4877.61 90.77 o
-2 13 1 4.39 14.16 17.45 o
-1 13 1 4523.73 4531.89 114.45 o
0 13 1 2.87 17.16 9.10 o
1 13 1 13204.65 12893.68 341.97 o
2 13 1 6.53 11.13 13.60 o
3 13 1 7405.75 7335.60 127.34 o
4 13 1 23.38 22.71 22.79 o
-3 14 1 3572.26 3548.98 66.43 o
-2 14 1 11231.32 10986.60 225.46 o
-1 14 1 5852.14 5713.87 137.55 o
0 14 1 10969.57 10837.98 234.98 o
1 14 1 5337.52 5384.61 110.25 o
2 14 1 5847.86 5829.32 109.01 o
3 14 1 2660.05 2708.60 58.85 o
-3 15 1 329.02 385.55 27.08 o
-2 15 1 7909.42 7794.20 152.91 o
-1 15 1 1972.83 1912.38 54.20 o
0 15 1 16847.24 16603.46 389.53 o
1 15 1 125.62 167.87 16.70 o
2 15 1 15298.82 15035.51 281.05 o
3 15 1 770.60 859.18 30.87 o
-3 16 1 7708.28 7631.92 137.75 o
-2 16 1 312.60 341.69 23.58 o
-1 16 1 10521.21 10504.32 242.96 o
0 16 1 655.57 640.82 33.39 o
1 16 1 11280.36 11443.71 263.46 o
2 16 1 208.36 208.79 19.91 o
3 16 1 8930.43 9154.06 164.57 o
-2 17 1 6781.01 6690.81 137.17 o
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0 17 1 8351.67 8686.24 334.59 o
1 17 1 3795.94 3898.68 124.19 o
2 17 1 7172.36 7213.18 136.24 o
-2 18 1 7958.59 7744.19 157.56 o
-1 18 1 377.62 375.87 33.98 o
0 18 1 9496.16 9225.74 243.08 o
1 18 1 181.97 175.19 29.58 o
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0 19 1 1716.01 1660.87 105.76 o
1 19 1 3620.06 3752.16 174.47 o
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0 0 2 1293.99 1417.35 68.72 o
2 0 2 3347.01 3384.41 106.39 o
4 0 2 499.65 480.83 19.85 o
-5 1 2 7060.74 6685.84 174.17 o
-4 1 2 9091.68 9014.18 272.34 o
-3 1 2 29268.35 29107.12 707.28 o
-2 1 2 19786.41 19815.21 368.76 o
-1 1 2 53403.79 51634.68 754.24 o
0 1 2 24214.41 23483.86 577.65 o
1 1 2 75072.75 70238.82 1226.76 o
2 1 2 9571.67 9764.02 200.88 o
3 1 2 34539.77 33734.23 576.94 o
4 1 2 4998.51 4859.81 80.03 o
5 1 2 11278.82 11058.99 188.35 o
-5 2 2 1164.73 1073.32 45.54 o
-4 2 2 30.22 40.00 9.90 o
-3 2 2 2802.89 2742.68 62.57 o
-2 2 2 1234.78 1323.28 31.71 o
-1 2 2 9141.95 9169.28 130.32 o
1 2 2 126.96 242.78 14.17 o
2 2 2 1235.13 1383.69 39.91 o
3 2 2 172.81 201.69 20.14 o
4 2 2 104.04 102.74 9.59 o
5 2 2 20.90 54.14 11.78 o
-5 3 2 328.50 313.34 18.17 o
-4 3 2 24511.22 23528.29 456.02 o
-3 3 2 2320.23 2261.11 58.69 o
-2 3 2 49652.96 49079.17 868.78 o
-1 3 2 1978.52 2118.47 36.93 o
0 3 2 46373.07 43480.75 928.40 o
1 3 2 3334.79 3467.05 84.17 o
2 3 2 50408.07 50287.88 922.32 o
3 3 2 4802.89 4847.61 107.57 o
4 3 2 20566.38 19994.06 436.73 o
5 3 2 714.16 686.15 22.41 o
-5 4 2 1311.05 1400.30 57.28 o
-4 4 2 136.68 147.29 21.70 o
-3 4 2 868.96 804.95 27.42 o
-2 4 2 301.29 379.98 18.20 o
-1 4 2 52.68 53.18 5.07 o
0 4 2 4.25 13.97 6.22 o
1 4 2 1116.92 1248.71 36.12 o
2 4 2 119.20 150.48 10.64 o
3 4 2 124.41 150.25 12.26 o
4 4 2 374.11 373.82 23.94 o
5 4 2 59.38 90.23 15.51 o
-5 5 2 9577.74 9570.55 231.89 o
-4 5 2 269.78 272.21 24.56 o
-3 5 2 34474.65 34428.46 675.17 o
-2 5 2 220.83 191.29 12.50 o
-1 5 2 55167.82 53731.02 919.37 o
0 5 2 2360.21 2613.70 54.51 o
1 5 2 106257.14 102823.98 1957.23 o
2 5 2 124.16 138.83 11.13 o
3 5 2 41555.27 40754.02 812.95 o
4 5 2 17.31 19.01 14.26 o
5 5 2 20233.77 20067.15 350.31 o
-5 6 2 842.24 867.49 35.98 o
-4 6 2 219.39 267.00 19.17 o
-3 6 2 357.58 367.49 24.18 o
-2 6 2 523.98 536.85 18.64 o
-1 6 2 2113.82 2261.53 45.15 o
0 6 2 1201.36 1334.50 29.03 o
1 6 2 1779.10 1899.27 40.89 o
2 6 2 2156.18 2262.58 51.77 o
3 6 2 157.88 169.63 14.27 o
4 6 2 896.11 875.27 41.10 o
5 6 2 50.28 60.25 13.08 o
-5 7 2 2315.09 2438.80 66.87 o
-4 7 2 15669.52 16322.44 325.03 o
-3 7 2 4079.11 4183.71 108.13 o
-2 7 2 31224.11 31327.88 561.77 o
-1 7 2 17360.61 17246.74 306.36 o
0 7 2 59872.88 57829.25 976.41 o
1 7 2 13895.32 13714.47 305.38 o
2 7 2 26908.77 27360.41 723.82 o
3 7 2 12783.77 12903.68 276.51 o
4 7 2 7357.59 7380.91 159.46 o
5 7 2 3971.07 4061.34 88.28 o
-5 8 2 1301.82 1487.99 51.88 o
-4 8 2 265.19 296.63 21.94 o
-3 8 2 4922.50 4899.97 114.91 o
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-1 8 2 1813.48 1857.33 45.75 o
0 8 2 2.32 5.01 9.16 o
1 8 2 3540.43 3672.63 114.02 o
2 8 2 685.57 721.86 26.71 o
3 8 2 11.86 21.37 7.98 o
4 8 2 262.94 279.12 22.80 o
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-3 9 2 12739.95 12772.43 302.86 o
-2 9 2 22998.89 22665.20 329.85 o
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0 9 2 16020.27 15861.12 300.85 o
1 9 2 17038.84 17498.86 393.16 o
2 9 2 16405.96 16060.15 350.49 o
3 9 2 14140.24 13722.13 228.03 o
4 9 2 9149.28 8760.98 178.98 o
-4 10 2 118.56 146.29 28.73 o
-3 10 2 87.38 102.01 25.39 o
-2 10 2 118.30 184.37 13.42 o
-1 10 2 1988.11 2007.15 54.56 o
0 10 2 10.97 41.60 9.18 o
1 10 2 298.55 278.93 18.72 o
2 10 2 266.83 294.16 19.50 o
3 10 2 111.35 119.46 10.54 o
4 10 2 258.14 297.44 35.63 o
-4 11 2 1582.84 1556.51 74.73 o
-3 11 2 17875.26 17695.74 352.94 o
-2 11 2 2565.21 2558.39 55.27 o
-1 11 2 37026.90 36681.05 720.22 o
0 11 2 6047.82 6135.00 115.77 o
1 11 2 45528.38 44866.39 1016.16 o
2 11 2 6867.11 6924.75 177.60 o
3 11 2 24170.13 23242.37 378.19 o
4 11 2 2598.69 2461.15 64.89 o
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-2 12 2 15.73 32.31 11.90 o
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0 12 2 1317.43 1321.98 32.26 o
1 12 2 706.06 868.92 56.88 o
2 12 2 876.22 827.40 36.57 o
3 12 2 4.75 37.49 13.23 o
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0 13 2 26661.56 26267.55 505.21 o
1 13 2 46.82 66.60 15.72 o
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3 13 2 467.96 527.10 35.02 o
4 13 2 12171.85 11598.63 229.78 o
-3 14 2 1267.58 1307.95 32.90 o
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0 14 2 77.03 111.10 14.57 o
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2 14 2 291.33 402.63 28.96 o
3 14 2 54.96 64.71 15.40 o
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3 15 2 16005.50 15811.04 270.39 o
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0 16 2 2.69 0.00 17.75 o
1 16 2 2.17 0.00 20.93 o
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3 16 2 379.09 424.81 24.67 o
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1 17 2 9828.50 9915.04 234.44 o
2 17 2 10326.79 10364.36 188.36 o
-1 18 2 706.47 686.05 41.46 o
0 18 2 311.90 270.71 34.59 o
1 18 2 937.39 1046.22 50.48 o
0 19 2 13434.00 13054.70 381.81 o
-5 0 3 2931.96 3086.24 217.72 o
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-1 0 3 122923.44 110144.48 2074.23 o
1 0 3 38049.52 39235.19 1052.15 o
3 0 3 33609.03 33062.33 788.46 o
5 0 3 11706.60 11437.66 270.89 o
-5 1 3 4440.43 4622.53 146.10 o
-4 1 3 8461.09 8448.19 256.34 o
-3 1 3 11891.18 11903.68 225.08 o
-2 1 3 16974.80 16983.51 261.84 o
-1 1 3 35168.75 35190.13 469.29 o
0 1 3 14857.59 14876.87 327.42 o
1 1 3 22712.33 21833.07 369.04 o
2 1 3 17473.21 17607.80 357.61 o
3 1 3 4678.53 4494.87 82.24 o
4 1 3 5580.21 5515.28 91.24 o
5 1 3 1772.03 1753.72 36.96 o
-5 2 3 785.15 746.27 38.08 o
-4 2 3 4608.08 4554.16 90.84 o
-3 2 3 2636.78 2687.28 54.26 o
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-1 2 3 279.85 306.30 9.14 o
0 2 3 12169.87 11385.41 252.72 o
1 2 3 4868.40 5173.44 104.81 o
2 2 3 19568.09 19631.76 405.88 o
3 2 3 3083.79 3042.30 58.11 o
4 2 3 9596.84 9119.50 156.78 o
5 2 3 1378.51 1362.79 34.10 o
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-1 4 16 6092.96 6061.65 184.73 o
0 4 16 5565.46 5226.04 129.99 o
1 4 16 7946.01 7708.09 180.01 o
-1 5 16 3878.21 4032.41 160.70 o
0 5 16 32.43 21.64 22.28 o