#------------------------------------------------------------------------------
#$Date: 2024-12-10 04:51:12 +0200 (Tue, 10 Dec 2024) $
#$Revision: 296811 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/27/2312731.cif $
#------------------------------------------------------------------------------
#
# 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_2312731
loop_
_publ_author_name
'Hollenwäger, Dirk'
'Bockmair, Valentin'
'Kornath, Andreas J.'
_publ_section_title
;
 The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and
 their protonated species.
;
_journal_coeditor_code           OJ3025
_journal_issue                   1
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624011653
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          'C4 H5 O2 +, As F6 -'
_chemical_formula_moiety         'C4 H5 O2 +, As F6 -'
_chemical_formula_sum            'C4 H5 As F6 O2'
_chemical_formula_weight         274.00
_chemical_name_systematic
;
(1-Methoxyprop-2-yn-1-ylidene)oxidanium hexafluoroarsenate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                90
_cell_angle_beta                 91.664(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9609(5)
_cell_length_b                   8.9319(7)
_cell_length_c                   13.7189(9)
_cell_measurement_reflns_used    1298
_cell_measurement_temperature    111(2)
_cell_measurement_theta_max      31.4470
_cell_measurement_theta_min      2.2840
_cell_volume                     852.60(11)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      111(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9809
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Rigaku Xcalibur Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4205
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.127
_diffrn_reflns_theta_min         2.722
_diffrn_source_current           40
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    4.055
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2020)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.206
_exptl_crystal_size_min          0.146
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.923
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         2303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0444P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0986
_reflns_number_gt                1900
_reflns_number_total             2303
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            oj3025.cif
_cod_data_source_block           III
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2312731
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.121
_shelx_estimated_absorpt_t_max   0.589
_shelx_hkl_file
;
   0   0  -2 159568. 2443.93   2
   0   0  -2 170421. 2411.19   1
   0   0  -3 284.326 85.8918   2
   0   0  -3 266.825 64.1552   1
   0   0  -4 1054.97 146.677   1
   0   0  -4 900.501 155.271   2
   0   0  -5 257.017 79.4845   1
   0   0  -5 225.713 90.7259   2
   0   0  -6 151778. 2767.69   2
   0   0  -6 147226. 2772.78   1
   0   0  -7 559.599 169.401   1
   0   0  -7 148.293 128.675   2
   0   0  -8 433755. 6827.80   1
   0   0  -8 436048. 6820.62   2
   0   0  -9 382.167 177.503   1
   0   0  -9 603.525 195.578   2
   0   0 -10 110756. 2670.32   1
   0   0 -10 106826. 2709.63   2
   0   0 -11-8.18663 89.0171   1
   0   0 -11 157.809 118.189   2
   0   0 -12 115.623 123.640   2
   0   0 -12 166.519 150.969   1
   0   0 -13 27.1205 107.649   2
   0   0 -13 334.163 183.366   1
   0   0 -14 4525.18 548.099   1
   0   0 -14 4243.22 536.419   2
   0   0 -15 854.067 237.034   2
   0   0  15 1224.53 408.993   4
   0   0 -15 833.836 267.899   1
   0   0  16 43781.2 2107.78   4
   0   0 -16 39749.5 1858.04   2
   0   0  17 670.343 335.677   4
   0   0 -17 611.983 255.824   2
   0   0  18 8425.90 989.636   4
   0   0  19 429.072 241.928   4
   0   1   0 581.919 73.7367   1
   0   1  -1 38596.8 868.980   1
   0   1  -2 61616.2 1087.96   5
   0   1  -2 62505.8 1275.28   1
   0  -1   2 62306.6 1128.77   4
   0   1  -3 214991. 3412.99   1
   0  -1   3 214335. 3232.59   4
   0  -1  -4 219324. 3386.79   2
   0  -1   4 210539. 3344.58   4
   0   1  -4 211393. 3503.24   1
   0  -1   5 83416.1 1728.25   4
   0  -1  -5 85237.3 1748.46   2
   0  -1  -5 85127.5 1712.08   1
   0   1  -5 79295.5 1787.31   1
   0  -1  -6 140999. 2599.69   1
   0  -1   6 140436. 2654.50   4
   0  -1  -6 143713. 2651.21   2
   0   1  -6 136976. 2739.36   1
   0  -1   7 60961.1 1612.19   4
   0  -1  -7 62704.7 1562.20   1
   0  -1  -7 60086.5 1572.45   2
   0   1  -7 59136.1 1646.85   1
   0  -1  -8 68.5255 56.3309   1
   0  -1   8 221.972 134.508   4
   0   1  -8-134.100 142.849   2
   0  -1  -8 1.68723 72.4414   2
   0  -1   9 35167.4 1312.88   4
   0  -1  -9 33639.0 1250.80   2
   0  -1  -9 33641.4 1228.29   1
   0   1  -9 33010.1 1314.40   1
   0  -1  10 9187.17 702.017   4
   0   1 -10 8649.18 675.844   1
   0  -1 -10 7900.36 614.967   2
   0  -1 -10 8286.13 618.521   1
   0   1 -10 7593.99 656.789   2
   0   1 -11 26747.5 1278.25   1
   0  -1 -11 25161.1 1163.57   2
   0   1 -11 27018.2 1245.13   2
   0  -1 -11 25169.7 1163.25   1
   0  -1  11 26049.8 1248.97   4
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   0   1 -12 17617.9 1068.70   2
   0   1 -12 16301.0 1034.63   1
   0  -1  12 18677.4 1100.45   4
   0   1 -13 11888.9 903.960   2
   0  -1  13 10813.3 877.727   4
   0   1 -13 11457.5 891.638   1
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   0   1 -14 8587.06 804.135   2
   0  -1 -14 8530.47 750.004   2
   0  -1  14 9017.13 856.733   4
   0   1 -14 9081.23 838.762   1
   0  -1 -15 3415.26 482.170   2
   0   1 -15 3942.44 565.913   1
   0  -1  15 4076.26 604.106   4
   0   1 -15 3898.70 556.109   2
   0   1 -16 32.8764 101.548   2
   0  -1  16 359.879 218.385   4
   0   1 -16 341.586 211.543   1
   0   1 -17 219.057 142.976   2
   0   1 -17 497.986 245.775   1
   0  -1  17 248.688 231.655   4
   0  -1  18 3301.02 631.080   4
   0   1  18 3182.09 639.846   4
   0   1 -18 2550.86 511.427   1
   0   1  19 4424.32 769.450   4
   0   2   0 18502.2 656.622   1
   0  -2  -1 347124. 4880.88   3
   0   2  -1 373670. 5537.49   1
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   0   2  -3 10806.0 394.451   5
   0   2  -4 47329.3 1387.92   1
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   0   2  -5 19323.3 863.349   1
   0   2  -6 27536.4 1094.66   1
   0  -2   6 25917.0 931.959   4
   0   2  -7 124221. 2789.60   1
   0  -2   7 125205. 2583.87   4
   0   2  -8 225.599 117.573   1
   0  -2   8 68.0563 64.6026   4
   0  -2   9 120113. 2741.67   4
   0   2  -9 121157. 2955.74   1
   0  -2  10 426.042 140.666   4
   0   2 -10 483.514 185.273   1
   0   2 -11 11742.3 863.781   1
   0  -2  11 12452.4 837.653   4
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   0  -2  12 51.0042 127.876   4
   0   2 -13 1441.26 370.397   2
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   0  -2  14 968.922 303.497   4
   0   2 -14 1464.54 388.088   2
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   0   2 -15 31412.8 1718.81   1
   0  -2  15 32034.2 1674.62   4
   0   2 -16 585.094 233.402   1
   0   2 -16 459.331 288.659   2
   0  -2  16 238.005 249.024   4
   0   2 -17 20074.7 1445.60   1
   0  -2  17 22677.7 1524.64   4
   0   2 -17 21133.0 1438.68   2
   0   2 -18 1106.84 369.041   1
   0   2 -19 2197.22 508.359   1
   0   2 -20 278.692 221.094   1
   0   2  20 321.390 283.775   4
   0   3   0 110.050 90.9793   1
   0  -3  -1 244.969 41.6128   3
   0   3  -1 226.366 92.0237   1
   0   3   1 354.876 128.270   1
   0   3  -2 6177.71 502.762   1
   0   3  -3 14211.9 783.350   1
   0   3  -3 14214.4 453.730   5
   0   3  -4 670.637 110.904   5
   0   3  -4 805.772 188.001   1
   0   3  -5 1321.75 273.332   1
   0   3  -6 7205.36 602.504   1
   0   3  -7 53689.9 1836.12   1
   0  -3   8 2430.25 306.178   4
   0   3  -8 2804.78 391.248   1
   0   3  -9 6128.68 603.713   1
   0  -3   9 6042.81 524.293   4
   0  -3  10 29111.7 1269.88   4
   0   3 -10 28395.4 1409.61   1
   0   3 -11 6282.95 673.873   1
   0  -3  11 6038.72 587.383   4
   0   3 -12 9689.19 866.976   1
   0  -3  12 10646.5 812.299   4
   0  -3  13 9354.75 799.892   4
   0   3 -13 8449.36 852.443   1
   0   3 -13 8523.41 862.512   2
   0   3 -14 9449.07 928.900   1
   0   3 -14 9463.61 925.426   2
   0  -3  14 8801.40 821.149   4
   0   3 -15 3422.71 594.960   2
   0   3 -15 4674.78 665.323   1
   0  -3  15 3646.51 550.314   4
   0   3 -16 38.6562 134.083   2
   0   3 -16 51.3993 143.098   1
   0  -3  16 5.60350 133.716   4
   0   3 -17 142.749 170.043   2
   0   3 -17 376.907 244.726   1
   0   3 -18 4066.34 681.404   1
   0   3 -19 6026.89 873.460   1
   0   4   0 97839.8 2461.64   1
   0   4   1 4527.75 468.364   1
   0  -4  -1 5007.15 228.279   3
   0   4  -1 4657.22 486.045   1
   0   4  -2 406.087 134.934   1
   0   4  -3 379.811 121.561   1
   0   4  -4 1855.60 313.825   1
   0   4  -4 1588.06 165.037   5
   0   4  -5 10550.0 790.669   1
   0   4  -5 8489.84 452.385   5
   0   4  -6 6030.00 638.129   1
   0   4  -7 2701.14 414.295   1
   0   4  -8 71099.6 2380.92   1
   0   4  -9 95.2953 155.356   1
   0   4 -10 65458.1 2357.19   1
   0   4 -11 563.476 194.384   1
   0   4 -12 3237.89 545.356   1
   0   4 -13 719.979 309.724   1
   0   4 -14 5981.41 742.283   1
   0   4 -15 803.846 227.140   1
   0   4 -15 1189.78 382.903   2
   0   4 -16 26360.0 1695.60   2
   0   4 -16 29137.3 1858.63   1
   0   4 -17 1090.36 351.228   2
   0   4 -17 1277.17 405.139   1
   0   4 -18 10519.2 1156.04   1
   0   4 -19 254.127 222.870   1
   0   5   0-44.0503 103.632   1
   0  -5  -1 10820.0 382.998   3
   0   5   1 10590.5 799.677   1
   0   5  -1 10070.9 796.051   1
   0   5   2 9185.94 727.397   1
   0   5  -2 9050.72 759.213   1
   0   5  -3 4468.87 551.571   1
   0   5  -4 28069.0 1407.43   1
   0   5  -4 24291.8 719.671   5
   0   5  -5 19436.7 683.877   5
   0   5  -5 22028.0 1282.79   1
   0   5  -6 11883.3 952.863   1
   0   5  -7 14359.5 1069.32   1
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   0   5  -9 10153.3 947.382   1
   0   5 -10 7918.67 832.452   1
   0   5 -11 15476.1 1187.52   1
   0   5 -12 6831.53 825.483   1
   0   5 -13 14842.8 1243.00   1
   0   5 -14 13979.5 1211.71   1
   0   5 -15 3924.40 658.248   1
   0   5 -16 361.387 281.965   2
   0   5 -16 587.667 303.452   1
   0   5 -17 1577.24 472.205   1
   0   5 -17 1347.82 414.867   2
   0   5 -18 2680.11 606.295   1
   0   6   0 4301.11 570.740   1
   0  -6   0 4962.83 296.634   3
   0   6   1 117016. 3093.40   1
   0  -6  -1 105905. 1828.27   3
   0   6  -1 111477. 3174.01   1
   0   6   2 21204.5 1229.07   1
   0   6  -2 23839.6 1356.99   1
   0   6  -3 17899.2 1211.63   1
   0   6   3 17144.0 1074.33   1
   0   6   4 715.070 270.682   1
   0   6  -4 609.600 216.855   1
   0   6  -5 10313.4 477.642   5
   0   6  -5 11554.4 1007.22   1
   0   6  -6 1770.28 392.716   1
   0   6  -7 77011.4 2847.63   1
   0   6  -8 5503.60 733.569   1
   0   6  -9 66861.6 2666.13   1
   0   6 -10 144.670 188.387   1
   0   6 -11 8114.27 912.070   1
   0   6 -12 6171.87 828.001   1
   0   6 -13 3916.77 678.909   1
   0   6 -14 1468.37 426.395   1
   0   6 -15 15274.2 1386.90   1
   0   6 -16 406.143 239.876   1
   0   6 -17 10996.4 1231.53   1
   0   6 -17 8584.12 1101.75   2
   0   7   0-87.2021 108.834   1
   0   7   1 20405.9 1349.54   1
   0   7  -1 20492.8 1338.08   1
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   0   7   2 33919.0 1708.38   1
   0   7  -3 36946.8 1900.91   1
   0   7   3 35166.2 1694.45   1
   0   7   4 60380.6 2261.97   1
   0   7  -4 60658.2 2486.72   1
   0   7  -5 5683.24 742.180   1
   0   7   5 6644.92 706.568   1
   0   7  -6 33479.4 1854.53   1
   0   7  -7 7779.82 910.131   1
   0   7  -8 358.542 216.419   1
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   0   7 -10 5267.32 770.404   1
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   0   7 -13 4913.40 789.650   1
   0   7 -14 7537.29 988.237   1
   0   7 -15 2111.41 515.903   1
   0   7 -16 80.4514 170.800   1
   0   8   0 119297. 3721.32   1
   0   8   1 11258.4 1063.21   1
   0   8  -1 11025.6 1047.90   1
   0   8  -2 23687.7 1631.16   1
   0   8   2 23291.3 1519.75   1
   0   8  -3 1557.29 444.047   1
   0   8   3 1811.21 463.411   1
   0   8   4-16.7854 149.960   1
   0   8  -4 303.324 284.372   1
   0   8  -5 112.150 211.229   1
   0   8   5 218.830 162.736   1
   0   8   6 11004.1 1050.49   1
   0   8  -6 11150.9 1126.28   1
   0   8   7 3203.09 544.948   1
   0   8  -7 2801.55 550.618   1
   0   8  -8 42780.9 2336.80   1
   0   8  -9 3690.19 673.941   1
   0   8 -10 13250.8 1301.90   1
   0   8 -11 683.592 313.701   1
   0   8 -12 288.163 175.463   1
   0   8 -13 229.718 222.864   1
   0   8 -14 3024.84 686.115   1
   0   8 -15-59.4358 256.947   1
   0   9   0-328.501 288.280   1
   0   9  -1 3686.75 697.422   1
   0   9   1 2985.00 633.270   1
   0   9   2 3490.74 644.811   1
   0   9  -2 4248.78 729.066   1
   0   9  -3 22223.1 1646.54   1
   0   9   3 21559.7 1599.95   1
   0   9   4 9783.04 1053.98   1
   0   9  -4 11071.8 1179.74   1
   0   9   5 16807.2 1363.74   1
   0   9  -5 17943.3 1541.35   1
   0   9   6 3975.51 676.362   1
   0   9  -6 4764.97 783.336   1
   0   9  -7-395.955 312.454   1
   0   9  -8 478.978 300.262   1
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   2   1  -8 61775.8 1732.66   1
   2   1  -8 60337.8 1984.37   2
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   2   8  -8 21935.3 1665.09   1
   2   8  -7 620.629 268.315   1
   2   8  -6 296.157 274.087   1
   2   8  -5 20520.5 1583.69   1
   2   8  -4 19209.2 1506.89   1
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   2  10   5 11736.0 1312.26   1
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   2  10   6 303.341 293.375   1
   2  10   7 12789.2 1365.49   1
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   2  10   8 2125.75 588.812   1
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   2  11  -9 232.421 362.974   1
   2  11  -8 3157.51 749.190   1
   2  11  -7 128.494 293.851   1
   2  11  -6 10863.4 1357.19   1
   2  11  -5 2667.56 678.926   1
   2  11  -4 3605.98 817.798   1
   2  11  -3 6088.27 1020.63   1
   2  11  -2 383.783 272.461   1
   2  11  -1 507.005 314.378   1
   2  11   0 8517.94 1191.72   1
   2  11   1 1783.94 576.127   1
   2  11   2 16048.0 1631.38   1
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   2  11   3 1617.68 521.388   1
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   2  11   4 9263.81 1248.70   1
   2  11   5 548.502 364.204   1
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   2  11   6-3.44015 253.368   1
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   2  11   7 325.854 334.722   1
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   2  12  -6-193.631 313.831   1
   2  12  -5 221.126 285.675   1
   2  12  -4 3226.40 787.815   1
   2  12  -3 3322.79 779.188   1
   2  12  -2 10621.5 1415.21   1
   2  12  -1 1439.45 539.443   1
   2  12   0 4553.92 957.070   1
   2  12   1-645.687 410.660   1
   2  12   2 54.1911 186.732   1
   2  12   3 256.142 337.750   1
   2  12   4 3116.28 772.067   1
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   2  12   5-157.147 242.824   1
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   2  12   6 7783.64 1190.01   1
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   3   0 -19 1093.17 422.500   2
   3   0 -18-383.153 287.167   2
   3   0 -17 6363.36 827.329   2
   3   0 -16 19.3015 157.589   2
   3   0 -15 52722.5 2342.49   2
   3   0 -14 171.596 172.718   2
   3   0 -13 12937.8 1065.20   2
   3   0 -12 46.4349 142.241   2
   3   0 -11 72.7758 93.9174   1
   3   0 -11 105.534 156.508   2
   3   0 -10 46.0156 113.669   2
   3   0 -10 17.2782 57.8211   1
   3   0  -9 13040.0 664.648   1
   3   0  -9 12512.6 907.984   2
   3   0  -8 4.31396 121.384   2
   3   0  -8-78.1204 126.251   5
   3   0  -8 25.9299 39.7800   1
   3   0  -7 96520.0 2018.62   1
   3   0  -7 100106. 2562.29   2
   3   0  -7 95695.6 2723.18   5
   3   0  -6-3.19508 35.7380   1
   3   0  -6-115.621 121.067   2
   3   0  -5 4836.76 349.319   1
   3   0  -5 5606.81 548.347   5
   3   0  -5 5223.47 485.645   2
   3   0  -4 116.032 72.0386   1
   3   0  -4 19.4554 53.8682   2
   3   0  -4-59.4849 74.9567   5
   3   0  -3 8631.96 570.212   2
   3   0  -3 9418.80 633.235   5
   3   0  -3 8746.13 448.820   1
   3   0  -2 120.029 85.4911   3
   3   0  -2 28.4834 50.2400   2
   3   0  -1 10493.5 601.998   3
   3   0  -1 9748.28 491.133   2
   3   0   0-23.9654 44.9217   2
   3   0   0 168.091 106.359   3
   3   0   1 119163. 2426.08   3
   3   0   1 114082. 1894.89   2
   3   0   1 116142. 2271.84   4
   3   0   2-31.7365 82.2072   4
   3   0   3 16917.8 788.053   4
   3   0   4 53.9848 107.183   4
   3   0   5 3656.16 411.068   4
   3   0   6-50.1044 107.677   4
   3   0   7 13049.9 865.076   4
   3   0   8 201.008 229.393   4
   3   0   9 129060. 3332.77   4
   3   0  10 107.526 178.080   4
   3   0  11 30491.8 1592.95   4
   3   0  12 162.133 212.973   4
   3   0  13 267.130 179.641   4
   3   0  14 290.455 293.447   4
   3   0  15 2059.82 517.567   4
   3   0  16 310.948 290.326   4
   3   0  17 31848.2 2055.39   4
   3   0  18 823.123 362.890   4
   3   1 -19 2803.54 607.360   2
   3   1 -18 3210.43 649.920   2
   3  -1 -17 3981.43 658.013   2
   3   1 -17 3475.92 618.002   2
   3   1 -16 1196.92 334.701   2
   3  -1 -16 1640.87 441.805   2
   3  -1 -15 75.2231 171.616   2
   3   1 -15-208.672 230.130   2
   3   1 -14 1415.62 385.928   2
   3  -1 -14 1196.58 341.423   2
   3   1 -13 353.714 131.968   1
   3   1 -13-60.2667 217.733   2
   3  -1 -13 87.2512 167.050   2
   3   1 -12 3212.78 419.094   1
   3  -1 -12 3167.30 507.354   2
   3   1 -12 2804.31 507.928   2
   3  -1 -11 32332.6 1569.32   2
   3   1 -11 30002.2 1570.62   2
   3   1 -11 30821.4 1286.13   1
   3   1 -10 16286.5 878.685   1
   3  -1 -10 15834.7 1066.89   2
   3  -1 -10 16096.4 702.596   1
   3   1 -10 14059.2 1077.84   2
   3   1  -9 3262.58 378.307   1
   3  -1  -9 3210.93 283.537   1
   3   1  -9 2537.53 426.971   5
   3   1  -9 2976.56 479.022   2
   3  -1  -9 3350.59 487.313   2
   3   1  -8 17563.6 867.289   1
   3   1  -8 18074.7 1124.05   5
   3  -1  -8 16338.2 607.582   1
   3  -1  -8 17909.8 1006.67   2
   3   1  -8 19502.0 1081.62   2
   3   1  -7 5335.68 454.222   1
   3  -1  -7 4963.25 278.521   1
   3  -1  -7 5199.85 526.760   2
   3   1  -7 5728.56 586.407   2
   3  -1  -7 5364.54 590.327   5
   3   1  -7 5758.48 572.379   5
   3   1  -6 6999.27 512.194   1
   3  -1  -6 6953.27 661.937   5
   3   1  -6 6350.32 613.058   5
   3  -1  -6 6477.35 572.677   2
   3   1  -6 7186.55 617.397   2
   3   1  -5 5222.63 436.788   1
   3   1  -5 5326.11 533.884   5
   3  -1  -5 5034.79 497.210   5
   3  -1  -5 5326.94 482.876   2
   3   1  -5 5569.01 528.956   2
   3  -1  -4 682.372 164.382   5
   3  -1  -4 1048.84 195.679   2
   3   1  -4 1014.22 218.319   5
   3   1  -4 1089.55 229.425   2
   3   1  -4 641.190 150.496   1
   3  -1  -3 5362.75 481.297   5
   3  -1  -3 5265.48 446.965   3
   3  -1  -3 4248.44 413.466   2
   3   1  -3 4321.49 374.136   1
   3   1  -2 1066.55 181.256   3
   3  -1  -2 913.848 195.824   2
   3  -1  -2 1373.28 233.482   3
   3  -1  -2 1005.35 208.325   5
   3   1  -1 370.312 115.669   3
   3  -1  -1 536.118 99.7482   3
   3   1   0 27896.1 963.138   3
   3  -1   0 27580.5 1039.69   3
   3   1   0 26646.5 789.852   4
   3   1   1 6311.64 440.393   3
   3  -1   1 5455.95 444.494   3
   3   1   1 5601.49 367.839   4
   3   1   2 1104.53 294.784   3
   3   1   2 961.246 188.041   4
   3   1   3 7204.87 504.904   4
   3  -1   3 7676.85 558.421   4
   3   1   4 2940.00 362.705   4
   3  -1   4 2961.59 360.341   4
   3  -1   5 28384.8 1215.06   4
  -3   1  -5 29555.8 1162.17   1
   3  -1   6 1865.21 301.049   4
  -3   1  -6 2220.26 338.712   1
  -3   1  -7 1323.93 140.193   2
   3  -1   7 1009.88 251.222   4
  -3   1  -7 1117.32 275.818   1
  -3   1  -8 33640.2 883.001   2
  -3   1  -8 35915.4 1492.49   1
  -3   1  -9 6067.77 617.736   1
   3  -1   9 5921.53 636.304   4
   3  -1  10 117.524 141.726   4
  -3   1 -10 169.299 124.266   1
   3   1  10 359.976 273.766   4
  -3   1 -11 16744.7 1142.52   1
   3  -1  11 16685.0 1144.46   4
   3   1  11 17730.6 1268.04   4
   3   1  12 21375.1 1415.19   4
   3  -1  12 21677.4 1413.25   4
   3  -1  13 13896.4 1157.66   4
   3   1  13 12152.8 1107.60   4
   3  -1  14 11352.6 1078.01   4
   3   1  14 10750.1 1140.51   4
   3   1  15 8613.19 1001.90   4
   3  -1  15 9688.75 1027.02   4
   3   1  16 2788.19 606.789   4
   3  -1  16 2790.00 602.276   4
   3   1  17 577.947 337.388   4
   3  -1  17 602.206 263.186   4
   3  -1  18 382.462 290.452   4
   3   1  18-77.4166 277.448   4
   3   2 -19 185.520 227.689   2
   3   2 -18 906.743 312.169   2
   3   2 -17 88.5397 152.038   2
   3   2 -16 17788.7 1447.49   2
   3   2 -15 47.9532 159.573   2
   3   2 -14 53469.0 2034.16   1
   3   2 -14 51682.6 2349.31   2
   3   2 -13 885.769 271.631   1
   3   2 -13 822.993 296.406   2
   3   2 -12 528.152 230.573   2
   3  -2 -12 476.312 230.839   2
   3   2 -12 190.134 127.390   1
   3   2 -11 1147.76 332.933   2
   3   2 -11 1803.59 347.292   1
   3  -2 -11 1641.39 344.960   2
   3   2 -10 5825.88 572.751   1
   3   2 -10 5116.39 666.488   5
   3   2 -10 5765.77 680.857   2
   3  -2 -10 5054.12 565.360   2
   3   2  -9 4357.20 494.083   1
   3  -2  -9 4471.83 546.848   2
   3   2  -9 3797.87 512.003   5
   3   2  -9 3800.04 566.419   2
   3   2  -8 107893. 2641.70   1
   3  -2  -8 108163. 2766.99   2
   3   2  -8 100228. 2836.36   5
  -3  -2   8 99739.8 1743.39   4
   3   2  -7 313.437 114.069   5
   3   2  -7 626.347 173.279   1
   3  -2  -7 565.723 191.131   2
   3   2  -6 107543. 2643.15   1
   3   2  -6 110994. 2844.88   5
   3   2  -5 368.927 145.683   1
   3   2  -5 205.175 151.278   5
   3  -2  -5 295.765 177.632   5
   3   2  -4 50996.6 1627.29   1
   3  -2  -4 56135.7 1756.93   5
   3  -2  -3 5136.14 456.834   3
   3   2  -3 4720.61 471.954   1
   3  -2  -3 5425.34 479.918   5
   3  -2  -2 48365.2 1486.88   3
   3  -2  -2 45326.0 1409.99   5
   3   2  -1 1093.36 188.875   3
   3  -2  -1 923.101 199.535   5
   3  -2  -1 715.387 199.178   3
   3   2  -1 1052.31 124.652   4
   3   2   0 135494. 2554.82   3
   3  -2   0 134056. 2568.96   5
   3  -2   0 132442. 2770.13   3
   3   2   1 103.088 92.3893   3
  -3   2  -1 356.583 105.834   1
   3   2   2 253285. 4157.09   3
  -3   2  -2 255517. 4207.85   1
  -3   2  -3 24483.6 941.548   1
  -3   2  -4 39068.9 1300.12   1
  -3   2  -5 16368.0 864.681   1
   3  -2   6 1612.58 291.168   4
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   3  -2   7-136.513 191.009   4
  -3   2  -7 56.4659 108.878   1
  -3   2  -8 168210. 3790.55   1
   3  -2   8 174213. 3948.64   4
   3  -2   9 326.586 206.789   4
  -3   2  -9 346.678 184.346   1
   3  -2  10 58014.8 2205.50   4
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   3  -2  11 2170.87 435.373   4
   3  -2  12 12365.6 1042.68   4
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   3  -2  13-275.059 257.132   4
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   3  -2  14 150.922 208.836   4
   3  -2  15 13.3556 146.252   4
   3   2  15 549.252 335.784   4
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   3  -2  16 14794.7 1310.47   4
   3   2  16 12482.0 1318.24   4
   3   2  17 751.653 395.982   4
   3  -2  17-167.184 232.746   4
   3  -2  18 20980.7 1711.57   4
   3   2  18 18613.5 1691.90   4
   3   3 -18 3897.37 741.837   2
   3   3 -17 1300.44 418.428   2
   3   3 -16 575.945 294.552   2
   3   3 -15-265.528 221.604   2
   3   3 -15 84.9587 137.721   1
   3   3 -14 1529.14 453.782   2
   3   3 -14 1230.80 317.382   1
   3   3 -13 9169.86 843.149   1
   3   3 -13 8491.52 950.964   2
   3   3 -12 5006.92 742.328   2
   3   3 -12 5472.38 646.634   1
   3   3 -11 13025.6 968.193   1
   3   3 -11 11116.8 1002.43   5
   3   3 -10 30815.1 1490.98   1
   3   3 -10 27935.1 1543.53   5
   3   3  -9 27784.3 1364.95   1
   3   3  -9 26864.0 1426.78   5
   3   3  -8 24091.5 1258.85   1
   3   3  -8 21148.8 1203.03   5
   3   3  -7 995.571 268.292   1
   3   3  -7 704.866 227.753   5
   3   3  -6 16077.0 990.775   1
   3   3  -6 16928.5 982.136   5
   3   3  -5 70150.3 2048.41   5
   3   3  -5 62395.4 2043.92   1
   3  -3  -4 25912.7 1136.67   3
   3   3  -4 27617.2 1272.47   1
   3  -3  -3 73422.4 1984.54   3
   3   3  -3 70007.8 2115.18   1
   3  -3  -3 74495.2 2017.91   5
   3  -3  -2 69408.1 1876.03   3
   3  -3  -2 67853.6 1820.77   5
   3   3  -2 71869.0 2057.37   1
   3  -3  -1 173641. 3400.22   3
   3  -3  -1 173014. 3194.10   5
  -3   3   1 170727. 2744.77   1
   3  -3   0 75494.1 1948.21   3
  -3   3   0 71892.1 1557.09   1
   3  -3   0 74033.5 1696.93   5
   3   3   1 1595.73 199.218   3
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   3  -3   1 1751.03 274.433   3
   3  -3   1 1599.66 206.333   5
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   3  -3   2 34082.4 925.283   5
   3   3   3 16492.0 684.497   3
  -3   3  -3 18568.6 855.400   1
  -3   3  -4 103149. 2495.21   1
  -3   3  -5 50262.4 1668.48   1
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   3  11   7 5236.26 1011.83   1
   3  11   8 564.312 433.553   1
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   3  11   9 563.573 340.057   1
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   3  12   2 1782.60 627.921   1
   3  12   3 1859.07 634.145   1
   3  12   4-167.106 254.456   1
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   3  12   6-130.919 373.861   1
   4   0 -18 1262.97 452.345   2
   4   0 -17-105.390 160.736   2
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   4   0 -11 88.3808 127.882   2
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   4   0  -9 18.0931 52.5117   1
   4   0  -9-124.242 163.425   2
   4   0  -9-260.623 256.056   5
   4   0  -8 873.935 265.114   5
   4   0  -8 722.929 145.362   1
   4   0  -8 839.365 239.164   2
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   4   0  -7-113.671 173.845   5
   4   0  -7 99.1658 67.9410   1
   4   0  -6 15034.9 683.116   1
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   4   0  -6 15259.0 912.421   2
   4   0  -5 235.697 82.3349   1
   4   0  -5-32.0608 94.5980   2
   4   0  -5 205.040 150.063   5
   4   0  -4 7155.30 574.035   2
   4   0  -4 6699.85 637.026   5
   4   0  -4 5664.11 416.464   1
   4   0  -3 0.81120 97.0882   3
   4   0  -3-28.3369 78.1338   2
   4   0  -3 59.1259 111.255   5
   4   0  -2 6461.39 560.778   3
   4   0  -2 5557.87 446.132   2
   4   0  -1 60.3470 69.2422   3
   4   0  -1-92.2817 87.0142   2
   4   0   0 945.526 202.952   3
   4   0   0 955.378 153.259   2
   4   0   1 220.642 171.471   3
   4   0   2 9737.96 669.893   3
   4   0   2 10318.4 646.969   4
   4   0   3 38.4399 105.168   4
   4   0   4 130549. 2964.77   4
   4   0   5-83.7399 100.012   4
   4   0   6 47745.6 1732.58   4
   4   0   7-139.721 216.195   4
   4   0   8 4051.59 539.864   4
   4   0   9 20.0086 176.576   4
   4   0  10 31912.6 1655.89   4
   4   0  11-17.3922 224.485   4
   4   0  12 37199.4 1963.87   4
   4   0  13-14.0440 151.553   4
   4   0  14 11832.5 1142.95   4
   4   0  15-69.5698 154.947   4
   4   0  16 1998.97 533.550   4
   4   0  17 93.5069 204.325   4
   4   1 -18 924.227 293.556   2
   4  -1 -17 4189.14 701.273   2
   4   1 -17 3347.10 658.539   2
   4  -1 -16 7672.28 925.726   2
   4   1 -16 9858.34 1074.65   2
   4  -1 -15 9922.84 1009.68   2
   4   1 -15 10317.3 1060.36   2
   4   1 -14 5566.59 758.782   2
   4  -1 -14 4670.62 681.620   2
   4  -1 -13 779.668 310.228   2
   4   1 -13 464.778 231.651   2
   4   1 -12-315.023 246.980   2
   4  -1 -12-136.237 145.347   2
   4  -1 -11 152.197 125.051   2
   4   1 -11 290.447 166.344   2
   4   1 -10 1950.44 419.651   2
   4  -1 -10 1937.06 390.012   2
   4   1 -10 2178.55 447.447   5
   4   1 -10 2238.29 319.343   1
   4   1  -9 10275.1 688.985   1
   4   1  -9 9595.64 891.914   5
   4  -1  -9 9850.45 838.715   2
   4   1  -9 10443.4 868.813   2
   4   1  -8 68317.1 1881.85   1
   4  -1  -8 65319.2 2179.09   2
   4   1  -8 62346.7 2230.51   2
   4  -1  -8 68636.1 2491.27   5
   4   1  -8 66305.7 2371.91   5
   4   1  -7 40546.8 1381.77   1
   4   1  -7 39661.7 1745.90   5
   4  -1  -7 38787.1 1574.44   2
   4   1  -7 42805.0 1658.46   2
   4  -1  -7 42990.2 1843.91   5
   4   1  -6 4726.21 443.726   1
   4   1  -6 4597.38 549.998   5
   4  -1  -6 5265.19 533.015   2
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   4  -2  11 55103.4 2325.22   4
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   4   2  16 1275.38 429.115   4
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   4   3  -7 52740.9 2055.74   5
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   4   3  -6 105630. 2933.86   5
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   4  -3   1 76953.6 2218.23   3
   4  -3   1 77197.2 1896.80   5
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   4   3   2 128784. 2690.86   3
   4  -3   2 128343. 3037.49   3
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   4   3   3 11746.6 664.874   3
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   4   3  15 2325.74 612.344   4
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   4   4  -6 32284.2 1542.38   5
   4   4  -5 595.065 219.362   1
   4  -4  -4 109340. 2901.01   3
   4   4  -4 113075. 3162.30   1
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   4   5 -16 3369.20 680.587   2
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   4   5  -8 27628.6 1548.82   5
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   4   5  -7 52236.5 2082.95   5
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   4   7  -8 12929.4 1254.74   1
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   4   7  -7 3923.03 689.139   1
   4   7  -7 3747.97 557.533   5
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   4   7  -1 466.406 289.960   1
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   4   8  -6 4462.66 777.836   1
   4   8  -5 569.389 331.083   1
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   4   8  -1 4981.47 856.459   1
   4   8   0 362.818 348.381   1
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   4   8   1-59.2843 189.917   1
   4  -8   1 163.099 162.432   3
   4  -8   2 7307.26 733.604   3
   4   8   2 7772.68 1054.01   1
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   5   1   4 44905.3 1679.58   3
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   5   5  -7 4021.49 622.858   5
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   5   5  -6 10030.5 966.491   5
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   5   9  -5 7403.95 1139.68   1
   5   9  -4 17449.3 1730.82   1
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   5   9   3 6153.83 1045.01   1
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   5   9   4 17217.2 1697.89   1
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   5  10   2 985.453 430.144   1
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   5 -10   6 4968.83 744.216   3
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   5 -10   7 990.581 344.343   3
   5 -10   8 3223.51 611.715   3
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   5  11  -1 94.3494 337.069   1
   5  11   0-86.9997 391.964   1
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   5  11   2 874.745 459.257   1
   6   0 -15 17.6506 158.312   2
   6   0 -14 20797.2 1537.13   2
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   6   0 -12 10103.7 1019.87   2
   6   0 -11-81.1437 160.652   2
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   6   0 -10 326.483 197.130   2
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   6   0  -9 223.292 243.054   5
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   6   0  -8 12893.1 1002.95   2
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   6   0  -7-135.169 156.113   2
   6   0  -7-97.0583 228.065   5
   6   0  -6 157856. 3797.40   2
   6   0  -6 168004. 4398.78   5
   6   0  -5 16.3538 121.545   2
   6   0  -5 203.075 228.550   5
   6   0  -4 26218.1 1241.00   2
   6   0  -4 25991.9 1483.17   5
   6   0  -3-10.9276 180.810   3
   6   0  -3-52.0382 104.537   2
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   6   0  -2 9124.78 641.750   2
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   6   0   0 16374.6 1095.37   3
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   6   0   2 102457. 2927.42   3
   6   0   3-99.7265 102.282   3
   6   0   4 67665.8 2301.01   3
   6   0   5 138.442 128.541   3
   6   0   6 369.346 212.650   4
   6   0   6 712.755 267.083   3
   6   0   7-543.307 231.855   4
   6   0   8 1812.51 413.735   4
   6   0   9-220.549 260.631   4
   6   0  10 31007.2 1815.67   4
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   6   0  12 13159.0 1278.63   4
   6   0  13-186.787 350.046   4
   6   0  14 236.643 249.178   4
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   6   1 -15 2182.81 520.595   2
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   6   1 -14-172.994 211.635   2
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   6   1 -13 2204.37 475.439   2
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   6   1 -12 2938.43 573.857   2
   6   1 -12 3238.51 654.823   5
   6  -1 -11 3280.77 548.738   2
   6   1 -11 3464.82 615.479   2
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   6   1 -10 9857.27 965.144   2
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   6   1 -10 10282.9 1084.49   5
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   6   1  -9 8971.03 918.918   2
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   6   1  -8 11883.8 995.949   2
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   6  -1  -7 10006.1 987.981   5
   6   1  -7 10816.8 1053.59   5
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   6   1  -6 3863.60 525.303   2
   6  -1  -6 4562.12 659.945   5
   6   1  -6 5042.26 726.130   5
   6   1  -5 149.233 94.0852   1
   6   1  -5-32.7873 98.4311   2
   6  -1  -5 120.455 144.578   5
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   6  -1  -3 32034.3 1619.85   5
   6   1  -2 49067.0 1982.48   3
   6  -1  -2 46520.6 1955.13   3
   6   1  -2 44384.9 1530.59   2
   6  -1  -2 42777.2 1862.46   5
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   6  -1  -1 26462.8 1416.67   3
   6   1  -1 22893.1 990.146   2
   6   1   0 31870.5 1516.48   3
   6  -1   0 30068.3 1503.66   3
   6   1   0 29059.1 1049.57   2
   6   1   1 16306.1 1056.66   3
   6  -1   1 16999.0 1118.65   3
   6   1   2 5183.38 584.115   3
   6  -1   2 4512.30 583.794   3
   6   1   3 3224.27 434.194   4
   6   1   3 3096.38 471.136   3
   6  -1   3 3465.11 514.454   3
   6   1   4-13.4154 171.230   4
   6   1   4 507.666 214.979   3
   6  -1   4 934.632 312.891   3
   6   1   5 11879.3 906.141   3
   6  -1   5 12143.9 946.770   3
   6   1   5 14191.0 1006.01   4
   6   1   6 13985.4 1012.40   3
   6   1   6 17614.7 1158.34   4
   6   1   7 11092.5 967.720   4
   6   1   8 9144.71 898.891   4
   6  -1   9 3669.44 602.700   4
   6   1   9 3542.45 600.360   4
   6  -1  10 2346.40 509.382   4
   6   1  10 1893.06 439.690   4
   6  -1  11-311.993 237.288   4
   6   1  11 246.239 273.810   4
   6  -1  12 1026.70 374.700   4
   6   1  12 1591.51 437.429   4
   6  -1  13 3290.17 624.223   4
   6   1  13 3014.64 664.364   4
   6  -1  14 2225.31 551.563   4
   6   1  14 1927.98 522.399   4
   6  -1  15 2699.48 626.895   4
   6   1  15 2401.50 642.285   4
   6   2 -15 5415.60 883.271   2
   6   2 -14-3.70775 235.860   2
   6   2 -13 17481.9 1430.79   2
   6   2 -13 16421.2 1537.10   5
   6   2 -12 1114.65 392.495   5
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   6   2 -11 8157.98 930.776   2
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   6   2  -9 1541.08 399.738   2
   6   2  -9 1680.01 435.337   5
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   6   2  -7 37563.7 1779.16   2
   6   2  -7 40041.4 2077.77   5
   6   2  -6 487.241 193.123   1
   6   2  -6 351.266 202.044   2
   6  -2  -6 359.243 182.906   5
   6   2  -6 498.172 306.217   5
   6   2  -5 41313.2 1711.12   2
   6  -2  -5 40704.0 1943.55   5
   6   2  -5 40875.7 1950.77   5
   6   2  -5 36756.8 1642.27   1
   6  -2  -4 492.223 266.195   3
   6   2  -4 629.497 227.586   1
   6  -2  -4 599.178 249.613   5
   6   2  -4 591.434 192.262   2
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   6   2  -3 11334.5 803.157   2
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   6   2  -2 7300.73 613.871   2
   6  -2  -2 8719.71 796.281   5
   6   2  -1 284.838 149.044   3
   6  -2  -1 264.176 138.249   3
   6   2  -1 306.221 144.176   2
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   6   2   0 2841.64 435.673   3
   6  -2   0 2053.10 369.616   3
   6  -2   0 2852.87 443.959   5
   6   2   1 32640.4 1510.63   3
   6  -2   1 31779.4 1603.10   3
   6   2   2 239.906 116.055   4
   6   2   2-170.413 196.849   3
   6  -2   2 175.412 177.867   3
   6   2   3 50971.9 1920.50   3
   6  -2   3 49301.9 1998.43   3
   6   2   3 52705.1 1819.18   4
   6   2   4 21.9205 81.3495   4
   6   2   4 246.212 89.7760   3
   6  -2   4 238.802 177.427   3
   6   2   5 8774.58 760.510   3
   6  -2   5 8467.00 820.763   3
   6   2   5 9481.79 809.599   4
   6   2   6 1196.56 316.561   4
   6   2   6 832.224 257.263   3
   6   2   7-137.940 173.268   4
   6   2   7-137.899 119.929   3
   6   2   8 2202.17 464.892   4
   6   2   9 18742.4 1376.50   4
   6   2  10 129.032 179.962   4
   6   2  11 20581.6 1589.07   4
   6   2  12-396.582 297.635   4
   6   2  13 3403.54 719.948   4
   6   2  14 3.94103 168.702   4
   6   2  15 77.2401 178.556   4
   6   3 -15 2116.17 534.579   2
   6   3 -14 1280.11 461.000   2
   6   3 -13 1705.45 507.483   5
   6   3 -13 1945.78 502.859   2
   6   3 -12 1280.30 482.421   5
   6   3 -12 912.956 360.679   2
   6   3 -11 1523.83 450.169   5
   6   3 -11 1871.69 474.207   2
   6   3 -10 3496.53 642.877   5
   6   3 -10 3189.39 579.205   2
   6   3  -9 4668.81 730.343   5
   6   3  -9 6125.05 774.171   2
   6   3  -8 3384.90 514.119   1
   6   3  -8 3612.61 590.035   2
   6   3  -8 3426.92 596.810   5
   6   3  -7 2522.50 451.957   1
   6  -3  -7 3245.62 608.391   5
   6   3  -7 2503.68 466.488   2
   6   3  -7 2940.96 547.792   5
   6   3  -6 5129.25 657.997   1
   6   3  -6 5908.45 706.448   2
   6  -3  -6 5470.03 739.308   5
   6   3  -6 5787.40 750.530   5
   6  -3  -5 312.876 205.785   5
   6   3  -5-219.483 219.949   2
   6   3  -5 78.5630 155.384   5
   6   3  -5-204.766 206.563   1
   6  -3  -4 2766.62 485.307   3
   6  -3  -4 2924.11 491.811   5
   6   3  -4 2142.70 414.134   1
   6   3  -4 2372.62 426.289   2
   6  -3  -3 13898.8 1092.58   3
   6   3  -3 13849.9 989.974   2
   6  -3  -3 13990.7 1035.63   5
   6   3  -3 13823.7 1070.65   1
   6  -3  -2 7274.31 754.306   3
   6   3  -2 7023.04 661.426   2
   6  -3  -2 7621.69 747.787   5
   6  -3  -1 930.449 294.147   3
   6  -3  -1 487.874 226.842   5
   6   3  -1 655.654 202.313   2
   6   3   0 8130.78 745.084   3
   6  -3   0 7621.70 776.578   3
   6  -3   0 8595.12 748.724   5
   6   3   1 13241.8 939.546   3
   6  -3   1 12917.2 1017.01   3
   6  -3   1 12422.6 864.567   5
   6   3   2 168.508 82.3678   4
   6   3   2 612.015 192.182   3
   6  -3   2 341.579 266.758   3
   6  -3   2 124.484 125.453   5
   6   3   3-38.1807 109.590   4
   6   3   3-280.750 168.709   3
   6   3   4 5362.09 575.877   3
   6  -3   4 5228.65 670.927   3
   6   3   4 5724.39 612.531   4
   6   3   5 3053.77 468.340   4
   6   3   5 2599.27 417.766   3
   6  -3   5 2334.15 435.841   3
   6   3   6 3565.75 482.343   3
   6   3   6 4139.35 629.359   4
   6   3   7 5443.19 608.182   3
   6   3   7 7808.52 851.090   4
   6   3   8 8198.38 747.829   3
   6   3   8 10532.8 1011.94   4
   6   3   9 3586.84 656.101   4
   6   3  10 396.581 288.296   4
   6   3  11-299.409 285.202   4
   6   3  12 333.247 224.984   4
   6   3  13 4164.86 807.672   4
   6   3  14 2210.25 666.758   4
   6   4 -14 4705.22 850.493   5
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   6   4 -13 368.765 220.971   2
   6   4 -12 10418.8 1169.02   2
   6   4 -12 10599.5 1201.13   5
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   6   4 -11 688.393 314.731   2
   6   4 -10-204.890 293.213   5
   6   4 -10-237.820 217.462   2
   6   4  -9-147.509 127.070   1
   6   4  -9 294.863 191.669   5
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   6   4  -8 2999.41 525.079   1
   6   4  -8 2967.50 591.295   5
   6   4  -8 2808.87 578.268   2
   6   4  -7 321.127 144.857   1
   6   4  -7 229.719 141.050   5
   6   4  -7 136.086 209.590   2
   6   4  -6 27745.7 1657.00   1
   6   4  -6 27617.1 1676.39   5
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   6   4  -5 726.067 301.063   1
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   6   4   4 30372.9 1439.65   4
   6   4   5 2280.06 446.013   4
   6  -4   5 2181.27 449.055   3
   6   4   6 695.319 311.076   4
   6   4   7 409.401 287.045   4
   6   4   8 1698.08 463.265   4
   6   4   9 269.540 251.780   4
   6   4  10 21799.4 1649.59   4
   6   4  11 592.025 310.347   4
   6   4  12 20042.6 1702.63   4
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   6   5  -9 3521.89 641.581   5
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   6   5  -7 6054.21 828.527   5
   6   5  -6 440.398 289.183   1
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   6   5  -3 4011.40 680.020   1
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   6   5   4 2418.10 416.469   4
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   6   5   5 5708.25 693.473   4
   6  -5   6 6287.41 771.923   3
   6   5   6 8055.93 855.435   4
   6   5   7 15307.4 1249.43   4
   6   5   8 13255.9 1219.16   4
   6   5   9 8199.31 1035.54   4
   6   5  10 124.174 165.931   4
   6   5  11 109.436 210.202   4
   6   5  12 2846.41 727.471   4
   6   5  13 2523.27 677.491   4
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   6   6 -13 4433.75 814.795   2
   6   6 -12-375.762 306.799   5
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   6   6 -11 2802.44 603.517   5
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   6   6 -10-118.208 290.434   1
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   6   6  -8 2548.85 556.975   5
   6   6  -7 13309.7 1307.06   1
   6   6  -7 11443.1 1139.29   5
   6   6  -6 664.899 260.722   1
   6   6  -6 593.282 338.258   5
   6   6  -5 16914.0 1521.71   1
   6  -6  -4 952.761 295.546   3
   6   6  -4 1051.53 404.476   1
   6  -6  -3 14512.7 1177.24   3
   6   6  -3 13741.1 1335.22   1
   6  -6  -2-82.6807 133.110   3
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   6  -6   1 21703.0 1411.54   3
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   6  -6   5 10688.5 1011.32   3
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   6   6  12 108.059 221.691   4
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   6   6  13 4720.12 952.555   4
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   6   7 -10 5517.28 856.153   5
   6   7  -9 3789.80 739.318   1
   6   7  -9 3622.30 688.798   5
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   6   7  -8 6350.76 893.591   5
   6   7  -7 3969.93 743.751   1
   6   7  -7 3227.41 620.640   5
   6   7  -6 604.720 371.437   1
   6   7  -5 998.111 423.284   1
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   6  -7  -3 6330.60 804.943   3
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   6  -7  -2 21562.6 1442.87   3
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   6  -7  -1 2744.26 509.054   3
   6   7  -1 2593.05 680.250   1
   6  -7   0 15176.0 1183.55   3
   6   7   0 16113.2 1590.37   1
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   6  -7   2 3083.46 566.457   3
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   6  -7   4 1026.97 335.508   3
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   6  -7   6 12848.2 1173.08   3
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   6   8 -11 240.623 258.022   1
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   6   8  -9 100.177 142.529   5
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   6   8  -8 1396.15 430.160   5
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   6   8  -7 741.516 345.979   5
   6   8  -6 19299.6 1778.20   1
   6   8  -6 14477.5 1405.93   5
   6   8  -5 3416.11 784.109   1
   6   8  -4 13369.1 1539.76   1
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   6   8  -2 2378.31 650.053   1
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   6   8   0 4194.40 903.081   1
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   6   8   1 1179.94 484.781   1
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   6   8   2 26708.5 2117.92   1
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   6  -8   4 14449.8 1224.56   3
   6  -8   5 414.069 232.433   3
   6  -8   6 378.787 264.414   3
   6  -8   7 76.5718 219.797   3
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   6   9  -4 668.242 475.832   1
   6   9  -3 3910.59 936.659   1
   6  -9  -3 5389.45 737.899   3
   6  -9  -2 3897.42 680.070   3
   6   9  -2 5166.31 992.174   1
   6  -9  -1 8503.38 945.815   3
   6   9  -1 8568.63 1297.44   1
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   6   9   1 1017.69 558.502   1
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   6   9   2 124.563 217.034   1
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   6   9   3 480.518 455.278   1
   6  -9   4-265.563 272.294   3
   6   9   4 501.158 332.265   1
   6  -9   5 3453.32 625.282   3
   6  -9   6 1409.90 426.885   3
   6  -9   7 3037.78 618.434   3
   6  -9   8 1092.20 369.019   3
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   6  10   2 472.892 435.396   1
   6 -10   4-289.863 279.466   3
   6 -10   5 417.897 237.347   3
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   7   0 -14-32.1804 201.922   2
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   7   0 -11 21467.8 1484.39   2
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   7   0 -10-140.739 188.000   2
   7   0 -10-216.963 324.603   5
   7   0  -9 14031.4 1150.13   2
   7   0  -9 13943.8 1385.34   5
   7   0  -8-272.072 154.425   2
   7   0  -8-281.544 256.450   5
   7   0  -7 2946.03 485.789   2
   7   0  -7 2991.21 574.418   5
   7   0  -6 205.738 118.882   2
   7   0  -6-128.954 200.098   5
   7   0  -5 6287.03 643.259   2
   7   0  -5 6305.35 835.565   5
   7   0  -4-149.359 178.423   2
   7   0  -4 27.9066 171.764   5
   7   0  -3 60557.3 2496.40   3
   7   0  -3 55130.1 2348.40   5
   7   0  -2-140.171 156.643   3
   7   0  -2-87.2526 191.473   5
   7   0  -1 5655.74 715.673   3
   7   0   0 193.385 154.682   3
   7   0   1 7180.91 779.841   3
   7   0   2-18.8766 194.103   3
   7   0   3 2626.81 479.829   3
   7   0   4 110.098 163.386   3
   7   0   5 17299.1 1206.61   3
   7   0   6 253.194 210.106   3
   7   0   7 7386.92 812.882   3
   7   0   8 52.2372 182.409   3
   7   0   9 541.991 245.183   3
   7   0  10-564.040 364.093   4
   7   0  11 1517.81 507.940   4
   7   0  12-421.268 357.430   4
   7   0  13 7711.91 1060.63   4
   7   1 -14 6788.55 925.335   2
   7   1 -13 5852.61 846.803   2
   7   1 -13 5842.28 959.062   5
   7   1 -12 3844.11 655.352   2
   7   1 -12 3657.40 777.800   5
   7   1 -11 24.7976 181.239   2
   7  -1 -11 19.7425 227.004   5
   7   1 -11 184.893 231.031   5
   7   1 -10 1868.68 453.364   2
   7  -1 -10 1154.78 397.604   5
   7   1 -10 1361.41 472.867   5
   7   1  -9 1413.85 396.374   2
   7  -1  -9 884.821 325.925   5
   7   1  -9 773.914 339.587   5
   7   1  -8 6324.53 740.891   2
   7  -1  -8 8501.14 1000.02   5
   7   1  -8 6056.56 860.539   5
   7   1  -7 17518.0 1222.95   2
   7  -1  -7 16537.6 1380.22   5
   7   1  -7 17771.3 1461.67   5
   7   1  -6 18373.1 1183.97   2
   7  -1  -6 18979.9 1445.48   5
   7   1  -6 17451.7 1400.42   5
   7   1  -5 14982.9 1034.79   2
   7  -1  -5 16726.4 1314.81   5
   7   1  -5 14140.6 1256.00   5
   7   1  -4 11753.2 883.654   2
   7  -1  -4 13819.5 1153.71   5
   7   1  -4 11845.7 1080.72   5
   7  -1  -3 5351.78 713.758   3
   7   1  -3 4014.41 490.950   2
   7  -1  -3 4119.90 606.514   5
   7   1  -3 4183.96 668.372   5
   7   1  -2-265.395 241.522   3
   7  -1  -2 284.885 278.714   3
   7  -1  -2 102.315 209.543   5
   7   1  -1 422.498 231.728   3
   7  -1  -1 634.190 263.971   3
   7  -1  -1 498.158 218.643   5
   7   1   0 20424.7 1331.52   3
   7  -1   0 20474.3 1368.74   3
   7   1   1 19679.6 1285.09   3
   7  -1   1 19905.2 1315.10   3
   7   1   2 15373.1 1123.94   3
   7  -1   2 13758.9 1092.09   3
   7   1   3 12349.8 1018.45   3
   7  -1   3 12487.1 1032.43   3
   7   1   4 6271.24 702.751   3
   7  -1   4 6413.52 738.305   3
   7   1   5 256.524 202.714   3
   7  -1   5 269.076 194.517   3
   7   1   6 136.717 134.416   4
   7   1   6 415.572 260.642   3
   7  -1   6 146.057 232.952   3
   7   1   7 58.1145 139.470   4
   7   1   7 315.398 208.516   3
   7  -1   7 446.857 214.015   3
   7   1   8 3404.18 633.642   4
   7   1   8 2401.91 455.125   3
   7  -1   8 3010.43 561.883   3
   7   1   9 6997.13 784.033   3
   7   1   9 10011.4 1073.14   4
   7   1  10 8716.83 1015.15   4
   7   1  11 2269.55 532.677   4
   7   1  12 3198.59 684.581   4
   7   1  13-0.39557 269.105   4
   7   2 -14 1387.81 465.789   2
   7   2 -13 406.960 299.324   2
   7   2 -13-431.690 374.137   5
   7   2 -12 2999.56 609.799   2
   7   2 -12 1570.43 469.059   5
   7   2 -11 284.481 161.130   2
   7   2 -11 246.679 181.325   5
   7   2 -10 8993.45 1013.23   2
   7   2 -10 7872.84 1012.27   5
   7   2  -9 7.76662 193.879   2
   7   2  -9-149.733 223.696   5
   7   2  -8 7474.01 844.875   2
   7  -2  -8 8687.55 1059.52   5
   7   2  -8 7057.74 931.536   5
   7   2  -7 659.949 292.384   2
   7  -2  -7 340.356 252.429   5
   7   2  -7 427.646 282.791   5
   7   2  -6 699.306 283.906   2
   7  -2  -6 106.659 153.307   5
   7   2  -6 246.993 190.179   5
   7   2  -5 1693.53 365.290   2
   7   2  -5 1560.81 409.192   5
   7  -2  -4 25488.5 1625.10   3
   7   2  -4 24375.4 1325.63   2
   7  -2  -4 24216.9 1527.86   5
   7   2  -4 21704.5 1505.29   5
   7   2  -4 22067.8 1361.53   1
   7  -2  -3 406.659 233.647   3
   7   2  -3 828.937 295.557   1
   7   2  -3 399.497 167.197   2
   7  -2  -3 736.033 335.321   5
   7  -2  -2 4621.81 646.534   3
   7  -2  -2 5144.23 679.337   5
   7   2  -1 257.839 153.782   3
   7  -2  -1 174.966 156.407   3
   7  -2  -1 283.191 200.802   5
   7   2   0 9132.37 899.525   3
   7  -2   0 10118.8 948.952   3
   7  -2   0 9624.85 897.107   5
   7   2   1 1332.20 341.404   3
   7  -2   1 966.706 280.919   3
   7  -2   1 1391.76 366.376   5
   7   2   2 212.628 168.091   3
   7  -2   2 41.0843 146.715   3
   7   2   3-84.6199 118.775   3
   7  -2   3 58.1607 155.595   3
   7   2   4 11850.9 959.062   3
   7  -2   4 11932.0 1038.63   3
   7   2   4 13473.4 1005.35   4
   7   2   5 53.8482 163.122   4
   7   2   5 160.288 156.387   3
   7  -2   5 85.4869 162.172   3
   7   2   6 12306.7 1004.26   3
   7  -2   6 12910.8 1119.38   3
   7   2   6 15287.3 1147.53   4
   7   2   7 412.088 198.018   4
   7   2   7 697.544 284.783   3
   7  -2   7 889.583 321.309   3
   7   2   8 3611.35 604.330   4
   7   2   8 2428.30 462.476   3
   7  -2   8 2524.38 503.466   3
   7   2   9 322.687 190.250   4
   7   2   9 214.374 181.792   3
   7   2  10-39.5891 217.626   4
   7   2  10 300.285 186.842   3
   7   2  11 506.005 257.981   4
   7   2  12 7873.76 1065.34   4
   7   2  13 92.4292 172.128   4
   7   3 -13 3833.14 750.893   2
   7   3 -13 2944.04 742.733   5
   7   3 -12 2731.59 629.168   2
   7   3 -12 2133.08 587.440   5
   7   3 -11 17.4304 158.244   2
   7   3 -11 40.1113 175.701   5
   7   3 -10 633.388 292.393   2
   7   3 -10 763.915 365.701   5
   7   3  -9 984.946 295.522   2
   7   3  -9 1058.10 386.395   5
   7  -3  -8 1123.15 328.940   5
   7   3  -8 1359.18 369.194   2
   7   3  -8 1536.58 427.434   5
   7   3  -7 6068.32 745.297   2
   7  -3  -7 7370.72 965.479   5
   7   3  -7 7117.41 939.384   5
   7   3  -6 5466.87 709.556   2
   7  -3  -6 6749.74 860.206   5
   7   3  -6 5888.86 824.325   5
   7   3  -5 7134.99 765.212   2
   7  -3  -5 6240.40 821.707   5
   7   3  -5 5277.32 789.868   5
   7   3  -5 6106.76 745.879   1
   7  -3  -4 3522.48 614.768   3
   7  -3  -4 4452.53 659.784   5
   7   3  -4 3421.26 561.621   1
   7   3  -4 3789.28 531.620   2
   7  -3  -3 2006.27 496.422   3
   7   3  -3 1829.97 425.972   1
   7  -3  -3 1534.92 414.686   5
   7  -3  -2 616.730 268.767   3
   7  -3  -2 603.892 308.017   5
   7  -3  -1 4425.38 629.200   3
   7  -3  -1 5029.05 645.959   5
   7   3   0 9242.82 891.275   3
   7  -3   0 8378.88 884.450   3
   7  -3   0 10459.6 912.661   5
   7   3   1 16647.1 1173.48   3
   7  -3   1 14845.7 1173.07   3
   7  -3   1 16913.9 1109.55   5
   7   3   2 3531.55 526.747   3
   7  -3   2 3294.06 551.999   3
   7  -3   2 4716.58 573.516   5
   7   3   3 15081.8 1095.40   3
   7  -3   3 16717.7 1252.75   3
   7   3   4 3944.71 524.745   4
   7   3   4 4037.87 558.982   3
   7  -3   4 4243.64 642.803   3
   7   3   5 427.862 189.700   4
   7   3   5 593.150 208.564   3
   7  -3   5 795.282 348.785   3
   7   3   6-12.3424 139.507   4
   7  -3   6 79.2915 190.523   3
   7   3   7 988.022 304.422   4
   7  -3   7 885.822 281.404   3
   7   3   8 5252.25 741.600   4
   7  -3   8 3226.13 621.715   3
   7   3   9 5426.72 834.774   4
   7   3  10 6948.67 940.547   4
   7   3  11 12477.6 1303.54   4
   7   3  12 346.935 259.088   4
   7   3  13 1396.49 482.929   4
   7   4 -13 2974.62 646.025   2
   7   4 -13 2342.61 655.759   5
   7   4 -12 109.473 207.927   2
   7   4 -12-136.781 176.414   5
   7   4 -11 1496.16 395.681   2
   7   4 -11 1435.12 429.824   5
   7   4 -10 63.4292 157.640   2
   7   4 -10-664.418 396.681   5
   7   4  -9 5088.01 747.243   2
   7   4  -9 5533.73 867.974   5
   7   4  -8 114.836 149.402   2
   7   4  -8 156.526 196.025   5
   7   4  -7 485.075 269.815   2
   7   4  -7 255.913 185.001   5
   7   4  -6 385.173 264.047   1
   7  -4  -6 340.275 234.602   5
   7   4  -6 311.545 194.368   2
   7   4  -6 473.871 284.290   5
   7  -4  -5 3153.71 577.060   5
   7   4  -5 3188.59 560.000   2
   7   4  -5 2894.72 601.295   5
   7   4  -5 4091.98 663.937   1
   7  -4  -4-14.5564 159.700   3
   7  -4  -4-30.1583 119.147   5
   7   4  -4-112.018 154.065   1
   7   4  -4-184.467 167.941   2
   7  -4  -3 13315.3 1179.35   3
   7  -4  -3 12200.3 1092.49   5
   7   4  -3 14245.3 1264.76   1
   7  -4  -2 365.297 253.422   3
   7   4  -2 570.049 321.748   1
   7  -4  -2 185.307 139.853   5
   7  -4  -1 10945.9 1019.31   3
   7  -4  -1 9754.12 881.178   5
   7  -4   0 221.539 194.312   3
   7  -4   1 1058.91 335.730   3
   7  -4   2 179.678 139.531   3
   7  -4   3 2006.46 453.109   3
   7  -4   4 180.321 190.414   3
   7  -4   5 17411.5 1309.53   3
   7   4   6 518.101 237.316   4
   7  -4   6 693.144 312.399   3
   7  -4   7 14875.1 1265.48   3
   7   4   7 21394.1 1461.95   4
   7   4   8 1139.27 386.660   4
   7  -4   8 867.588 346.409   3
   7   4   9 723.407 332.363   4
   7   4  10 347.218 248.056   4
   7   4  11 728.119 366.975   4
   7   4  12 10.8532 251.625   4
   7   5 -12 1590.29 509.652   5
   7   5 -12 2645.82 599.161   2
   7   5 -11-144.712 271.369   5
   7   5 -11-294.422 256.860   2
   7   5 -10 638.649 295.592   5
   7   5 -10 935.133 334.854   2
   7   5  -9 143.029 205.574   5
   7   5  -9-43.3007 135.901   2
   7   5  -8 3965.65 714.377   5
   7   5  -8 4104.19 712.373   2
   7   5  -7 6341.85 892.003   1
   7   5  -7 6046.68 908.269   2
   7   5  -7 6197.67 884.479   5
   7   5  -6 9853.36 1088.45   1
   7   5  -6 10386.2 1097.32   2
   7   5  -6 10487.1 1123.70   5
   7   5  -5 1233.33 362.788   1
   7  -5  -4 11620.4 1127.03   3
   7   5  -4 10574.5 1158.68   1
   7  -5  -3 655.497 260.922   3
   7   5  -3 250.933 158.718   1
   7  -5  -2 451.281 299.895   3
   7   5  -2 533.931 273.116   1
   7  -5  -1 2131.83 481.179   3
   7  -5   0 9659.55 989.690   3
   7  -5   1 4071.80 645.087   3
   7  -5   2 25552.1 1628.61   3
   7  -5   3 8578.83 918.600   3
   7  -5   4 9798.52 1007.36   3
   7  -5   5 114.843 147.824   3
   7  -5   6 394.974 206.831   3
   7  -5   7 29.0534 161.644   3
   7   5   8 5968.75 829.954   4
   7  -5   8 4927.03 798.745   3
   7   5   9 4520.63 768.283   4
   7  -5   9 1834.91 449.326   3
   7   5  10 11898.2 1299.16   4
   7   5  11 5145.98 912.833   4
   7   5  12 3615.27 814.330   4
   7   6 -12 2099.28 598.253   5
   7   6 -11 838.834 380.987   5
   7   6 -11 841.589 381.229   2
   7   6 -10 4974.26 849.123   5
   7   6 -10 5215.67 890.252   2
   7   6  -9-210.456 293.727   5
   7   6  -9-251.257 300.327   2
   7   6  -8 4907.98 794.811   1
   7   6  -8 6708.58 974.385   2
   7   6  -8 4426.41 798.434   5
   7   6  -7 85.4231 178.082   1
   7   6  -7 596.601 332.497   5
   7   6  -6 628.957 298.564   1
   7   6  -6 576.408 302.700   5
   7   6  -5 239.496 251.413   1
   7  -6  -4 16567.6 1381.73   3
   7   6  -4 15478.5 1494.19   1
   7  -6  -3 260.800 180.725   3
   7   6  -3 90.7088 186.789   1
   7  -6  -2 14230.0 1239.21   3
   7   6  -2 12951.6 1423.00   1
   7  -6  -1 197.697 178.449   3
   7   6  -1 653.163 376.649   1
   7  -6   0 13351.1 1188.12   3
   7  -6   1 285.378 162.411   3
   7  -6   2 0.84881 177.795   3
   7  -6   3-344.047 205.223   3
   7  -6   4 13101.4 1209.75   3
   7  -6   5 1340.98 437.717   3
   7  -6   6 15894.4 1329.13   3
   7  -6   7 65.1483 201.404   3
   7  -6   8 4394.63 725.379   3
   7  -6   9 15.2839 160.263   3
   7   6  10-291.517 284.293   4
   7   6  11 413.230 254.649   4
   7   7 -11 806.723 407.488   5
   7   7 -10 1291.60 479.775   5
   7   7 -10 1076.55 423.675   2
   7   7  -9 2745.38 634.634   1
   7   7  -9 2033.00 571.295   5
   7   7  -8 872.285 403.708   1
   7   7  -8 556.277 329.484   5
   7   7  -7 9021.51 1183.98   1
   7   7  -7 7908.17 1038.63   5
   7   7  -6 3312.35 734.786   1
   7   7  -6 2244.72 610.009   5
   7   7  -5 14903.1 1562.90   1
   7  -7  -4 2415.13 555.871   3
   7   7  -4 2543.36 654.197   1
   7  -7  -3 2177.85 530.268   3
   7   7  -3 1058.40 467.410   1
   7  -7  -2 806.151 307.569   3
   7   7  -2 497.198 312.097   1
   7  -7  -1 1498.10 392.071   3
   7   7  -1 1566.27 546.743   1
   7  -7   0 2897.16 569.617   3
   7   7   0 3977.92 827.883   1
   7  -7   1 12130.1 1141.55   3
   7   7   1 15921.5 1656.42   1
   7  -7   2 1663.47 422.442   3
   7  -7   3 8931.44 974.800   3
   7  -7   4 1767.14 484.993   3
   7  -7   5 1980.01 512.884   3
   7  -7   6 76.2683 231.926   3
   7  -7   7 893.424 373.073   3
   7  -7   8 370.919 297.774   3
   7   8  -9 2457.55 645.580   1
   7   8  -9 1733.75 567.465   5
   7   8  -8 12.7297 218.806   1
   7   8  -8-126.237 205.291   5
   7   8  -7 1060.75 436.385   1
   7   8  -7 814.094 374.363   5
   7   8  -6-49.1363 249.494   1
   7   8  -6 259.874 174.521   5
   7   8  -5 1329.12 539.127   1
   7   8  -4-537.092 432.416   1
   7   8  -3 10441.1 1399.15   1
   7  -8  -3 10198.9 1123.53   3
   7  -8  -2 1662.83 427.238   3
   7   8  -2 1389.48 483.575   1
   7  -8  -1 5404.30 794.014   3
   7   8  -1 4876.45 1006.22   1
   7  -8   0 86.1357 149.680   3
   7   8   0-634.174 421.616   1
   7  -8   1 1496.71 416.402   3
   7   8   1 1047.16 469.745   1
   7  -8   2 171.081 142.481   3
   7   8   2 593.977 383.001   1
   7  -8   3 988.940 345.661   3
   7  -8   4 113.408 197.111   3
   7  -8   5 5327.97 805.672   3
   7  -8   6-4.35172 179.052   3
   7   9  -7 422.805 329.386   5
   7   9  -6 3233.66 726.070   5
   7   9  -4 1432.90 597.163   1
   7  -9  -3 14.5530 154.031   3
   7   9  -3-441.952 362.906   1
   7  -9  -2 290.825 234.519   3
   7   9  -2 433.218 447.229   1
   7  -9  -1 71.4398 135.529   3
   7   9  -1 690.152 438.726   1
   7  -9   0 1636.41 451.693   3
   7   9   0 1908.62 687.873   1
   7  -9   1 1321.95 436.012   3
   7   9   1 491.911 433.686   1
   7  -9   2 2486.45 531.649   3
   7  -9   3 490.048 208.191   3
   7  -9   4 779.080 357.032   3
   8   0 -12 1058.84 370.565   2
   8   0 -12 1793.87 631.143   5
   8   0 -11 33.8937 152.623   2
   8   0 -11-138.640 307.898   5
   8   0 -10-83.2287 141.419   2
   8   0 -10 535.955 386.725   5
   8   0  -9 239.915 248.129   2
   8   0  -9-155.145 238.464   5
   8   0  -8 16398.9 1214.58   2
   8   0  -8 17779.9 1550.72   5
   8   0  -7 130.228 263.485   5
   8   0  -6 14772.5 1380.30   5
   8   0  -5-177.805 267.404   5
   8   0  -4 1659.88 483.105   5
   8   0  -3-103.503 144.049   5
   8   0  -2 2048.07 499.333   3
   8   0  -2 1402.96 371.280   5
   8   0  -1-243.519 188.503   3
   8   0  -1 0.28313 221.672   5
   8   0   0 14432.3 1223.04   3
   8   0   1-81.8283 125.922   3
   8   0   2 5341.60 722.674   3
   8   0   3 199.401 170.350   3
   8   0   4 2892.50 546.717   3
   8   0   5 56.3425 188.888   3
   8   0   6 1303.83 389.078   3
   8   0   7-99.8048 131.419   3
   8   0   8 6981.35 855.840   3
   8   0   9-101.818 177.480   3
   8   0  10 6132.49 854.786   3
   8   0  11-56.2801 183.255   3
   8   0  12 483.914 249.744   3
   8   1 -12 2474.13 557.611   2
   8   1 -11 3402.12 628.434   2
   8  -1 -11 3981.81 827.858   5
   8   1 -11 3542.00 777.001   5
   8   1 -10 2008.67 505.468   2
   8  -1 -10 1954.76 630.871   5
   8   1 -10 3522.97 758.123   5
   8   1  -9 1448.22 403.215   2
   8  -1  -9 1472.54 429.314   5
   8   1  -9 1354.30 485.888   5
   8   1  -8 153.299 133.848   2
   8  -1  -8 433.482 303.020   5
   8   1  -7 271.560 193.012   2
   8  -1  -7 607.040 366.291   5
   8   1  -7 68.0062 168.246   5
   8  -1  -6 388.421 283.026   5
   8   1  -6 575.813 332.235   5
   8  -1  -5 3039.93 613.929   5
   8   1  -5 3192.44 688.487   5
   8  -1  -4 6772.97 921.991   5
   8   1  -4 8011.77 963.056   5
   8  -1  -3 4407.77 729.692   3
   8  -1  -3 4386.04 718.761   5
   8   1  -3 3630.34 686.051   5
   8  -1  -2 2472.67 548.798   3
   8  -1  -2 1987.62 466.518   5
   8   1  -1 5560.90 775.562   3
   8  -1  -1 5273.79 761.331   3
   8  -1  -1 4909.30 712.436   5
   8   1   0 141.613 133.465   3
   8  -1   0 323.456 227.228   3
   8  -1   0 588.975 254.955   5
   8   1   1 159.123 156.761   3
   8  -1   1 33.9186 173.351   3
   8   1   2 3249.28 568.771   3
   8  -1   2 2917.19 507.703   3
   8   1   3 6462.59 787.323   3
   8  -1   3 5713.20 764.267   3
   8   1   4 6963.24 810.259   3
   8  -1   4 6510.79 827.668   3
   8   1   5 3842.34 609.804   3
   8  -1   5 4360.81 668.077   3
   8   1   6 1536.04 368.203   3
   8  -1   6 2404.25 508.355   3
   8   1   7 1593.77 405.896   3
   8  -1   7 1649.13 436.455   3
   8   1   8 83.8382 170.575   3
   8  -1   8 297.671 282.434   3
   8   1   9 37.1336 134.883   3
   8  -1   9 694.818 311.612   3
   8   1  10 368.509 229.925   3
   8  -1  10 330.811 263.088   3
   8   1  11 912.064 354.619   3
   8  -1  11 746.800 314.928   3
   8   2 -12-182.482 183.098   2
   8   2 -11 282.887 213.035   2
   8   2 -11 627.289 354.879   5
   8   2 -10 424.868 221.859   2
   8  -2 -10 381.881 342.594   5
   8   2 -10 208.612 250.772   5
   8   2  -9 1507.20 405.347   2
   8  -2  -9 2108.39 560.763   5
   8   2  -9 1448.03 460.914   5
   8   2  -8 51.6503 214.600   2
   8  -2  -8 283.753 282.767   5
   8   2  -8-224.961 231.777   5
   8   2  -7 13448.1 1141.92   2
   8  -2  -7 14430.4 1408.02   5
   8   2  -7 13670.5 1370.47   5
   8  -2  -6 793.132 378.682   5
   8   2  -6 1217.92 449.646   5
   8  -2  -5 8956.30 1058.01   5
   8   2  -5 10003.5 1104.94   5
   8  -2  -4 50.2427 150.166   5
   8   2  -4 97.3846 169.740   5
   8  -2  -3-48.3789 211.759   3
   8  -2  -3-106.820 254.877   5
   8   2  -3-42.0242 193.775   5
   8  -2  -2 162.016 198.606   3
   8  -2  -2 256.648 244.448   5
   8  -2  -1 12612.2 1174.15   3
   8  -2  -1 11772.0 1107.43   5
   8   2   0 200.158 185.320   3
   8  -2   0 164.070 201.477   3
   8  -2   0 492.344 233.689   5
   8   2   1 5798.41 771.205   3
   8  -2   1 5209.77 743.231   3
   8  -2   1 6226.03 758.340   5
   8   2   2 1213.05 359.995   3
   8  -2   2 858.720 288.405   3
   8  -2   2 1535.48 381.915   5
   8   2   3 12354.3 1088.27   3
   8  -2   3 12593.3 1137.17   3
   8   2   4 795.787 292.716   3
   8  -2   4 631.419 165.363   3
   8   2   5 254.715 168.285   3
   8  -2   5 265.673 234.441   3
   8   2   6 1321.69 363.806   3
   8  -2   6 1499.72 427.630   3
   8   2   7 5383.07 720.572   3
   8  -2   7 5495.40 780.593   3
   8   2   7 6715.07 845.654   4
   8   2   8-163.997 129.176   4
   8  -2   8 91.4036 163.252   3
   8  -2   9 8868.31 1029.81   3
   8   2   9 12096.7 1243.14   4
   8   2  10 282.246 221.963   4
   8  -2  10 298.407 150.751   3
   8   2  11 4214.81 805.125   4
   8  -2  11 2158.79 545.684   3
   8   3 -12 2269.66 579.807   2
   8   3 -11 1806.74 494.888   2
   8   3 -11 1997.53 610.388   5
   8   3 -10 1990.40 510.852   2
   8   3 -10 1247.09 491.504   5
   8   3  -9 1770.06 476.204   2
   8   3  -9 1475.06 491.787   5
   8   3  -8 312.593 265.405   2
   8  -3  -8 576.324 281.656   5
   8   3  -8 64.0771 283.336   5
   8   3  -7-141.260 178.401   2
   8  -3  -7 679.604 313.186   5
   8   3  -7 233.263 353.375   5
   8  -3  -6 1061.62 387.469   5
   8   3  -6 687.196 364.510   5
   8  -3  -5 3000.17 630.826   5
   8   3  -5 2873.70 622.247   5
   8  -3  -4 6500.15 876.349   5
   8   3  -4 6599.42 908.262   5
   8  -3  -3 2980.77 604.031   3
   8  -3  -3 3205.58 589.892   5
   8  -3  -2 7468.28 944.333   3
   8  -3  -2 7756.73 889.032   5
   8  -3  -1 1890.07 476.622   3
   8  -3  -1 1936.48 483.299   5
   8  -3   0 2093.75 525.006   3
   8  -3   0 2068.62 457.359   5
   8   3   1-90.0012 136.112   3
   8  -3   1 75.3023 184.638   3
   8   3   2 1806.55 455.137   3
   8  -3   2 1247.23 382.271   3
   8  -3   3 8358.59 941.409   3
   8  -3   4 7373.01 875.797   3
   8  -3   5 2829.67 556.716   3
   8  -3   6 7264.42 913.621   3
   8  -3   7 364.234 278.258   3
   8   3   8 705.152 292.540   4
   8  -3   8 652.543 300.495   3
   8   3   9 237.371 183.685   4
   8  -3   9 1025.90 410.545   3
   8   3  10-521.749 353.642   4
   8  -3  10 441.410 285.691   3
   8   3  11 3444.17 754.456   4
   8   4 -11 210.129 211.633   2
   8   4 -10 1882.49 488.767   2
   8   4 -10 2382.19 620.360   5
   8   4  -9 333.634 250.934   2
   8   4  -9-248.956 244.559   5
   8   4  -8 3671.63 653.843   2
   8   4  -8 3511.46 722.854   5
   8   4  -7 825.502 444.892   5
   8  -4  -6 17186.2 1520.26   5
   8   4  -6 15476.5 1442.93   5
   8  -4  -5-126.142 142.228   5
   8   4  -5 784.521 323.715   5
   8  -4  -4 1689.22 488.071   3
   8  -4  -4 1276.11 395.816   5
   8  -4  -3 33.7092 193.979   3
   8   4  -3 128.207 174.145   1
   8  -4  -3 365.446 238.190   5
   8  -4  -2 3054.31 624.747   3
   8   4  -2 2981.75 600.548   1
   8  -4  -1 176.488 166.861   3
   8  -4   0 10802.8 1115.31   3
   8  -4   1 613.674 193.861   3
   8  -4   2 21330.8 1541.92   3
   8  -4   3-47.1159 206.959   3
   8  -4   4 3522.75 614.619   3
   8  -4   5 17.5895 194.361   3
   8  -4   6 744.219 350.992   3
   8  -4   7 161.838 272.684   3
   8  -4   8 5611.62 854.332   3
   8  -4   9 269.975 266.688   3
   8   4  10 9294.33 1207.69   4
   8   4  11 231.917 288.461   4
   8   5 -10 2535.76 609.842   2
   8   5  -9 1708.14 485.262   2
   8   5  -9 1441.21 512.056   5
   8   5  -8-38.6694 146.881   2
   8   5  -8-607.025 382.301   5
   8   5  -7 1223.89 469.070   5
   8   5  -6 462.088 318.981   5
   8   5  -5 4214.87 812.208   5
   8  -5  -4 8902.28 1080.46   3
   8   5  -4 7984.52 1073.10   1
   8  -5  -3 9828.70 1110.62   3
   8   5  -3 8851.65 1135.74   1
   8  -5  -2 3107.20 621.887   3
   8   5  -2 3177.31 704.043   1
   8  -5  -1 7070.88 896.316   3
   8   5  -1 6350.46 976.079   1
   8  -5   0 1961.98 484.197   3
   8  -5   1 623.215 251.106   3
   8  -5   2 228.926 197.021   3
   8  -5   3 4525.05 739.387   3
   8  -5   4 1883.20 479.043   3
   8  -5   5 8235.17 989.780   3
   8  -5   6 3874.97 712.018   3
   8  -5   7 1002.55 419.349   3
   8  -5   8 794.996 334.800   3
   8   6  -9 2728.53 615.975   2
   8   6  -8 1061.54 428.147   5
   8   6  -7 7658.76 1088.61   5
   8   6  -6-91.6997 169.265   5
   8   6  -5 6803.23 1049.90   1
   8   6  -5 6851.32 1015.23   5
   8  -6  -4 680.953 334.044   3
   8   6  -4 312.982 295.667   1
   8  -6  -3 179.812 220.854   3
   8   6  -3-446.185 304.651   1
   8  -6  -2-130.280 197.621   3
   8   6  -2-235.562 405.236   1
   8  -6  -1 7158.01 963.852   3
   8   6  -1 8107.97 1160.64   1
   8  -6   0 517.770 234.718   3
   8   6   0 599.803 348.843   1
   8  -6   1 7845.79 972.349   3
   8  -6   2 17.7661 229.287   3
   8  -6   3 7642.64 967.473   3
   8  -6   4-295.234 255.488   3
   8  -6   5 221.041 248.101   3
   8  -6   6 743.229 356.738   3
   8   7  -6 1036.49 378.736   1
   8   7  -6 989.791 402.425   5
   8   7  -5 1722.09 574.196   1
   8   7  -5 1932.02 589.677   5
   8   7  -4 4042.72 880.392   1
   8  -7  -3 1206.87 454.653   3
   8   7  -3 1022.62 464.351   1
   8  -7  -2 4476.47 756.052   3
   8   7  -2 4218.74 891.187   1
   8  -7  -1 1284.16 437.433   3
   8   7  -1 2046.12 645.925   1
   8  -7   0 257.352 227.192   3
   8   7   0-203.153 271.552   1
   8  -7   1 414.961 245.749   3
   8   7   1 410.974 392.502   1
   8  -7   2 555.207 315.040   3
   8  -7   3 196.546 176.648   3
   8  -7   4 3337.74 649.923   3
   8   8  -3 374.355 375.586   1
   8  -8  -2 283.595 207.270   3
   8   8  -2 360.265 397.149   1
   8  -8  -1 133.462 183.958   3
   8   8  -1-49.5292 267.006   1
   9   0  -9-315.095 240.312   5
   9   0  -8-331.291 319.491   5
   9   0  -7 178.584 173.678   5
   9   0  -6-4.68811 177.634   5
   9   0  -5 14317.4 1422.02   5
   9   0  -4-274.245 255.262   5
   9   0  -3 5409.91 852.691   5
   9   0  -2 151.935 194.427   5
   9   0  -1 57.6949 158.882   3
   9   0  -1 271.070 235.294   5
   9   0   0 135.508 163.977   3
   9   0   0-5.83141 224.859   5
   9   0   1 1703.10 442.246   3
   9   0   2 17.3909 125.436   3
   9   0   3 7700.00 943.835   3
   9   0   4-79.5813 263.728   3
   9   0   5 3793.24 646.935   3
   9   0   6-430.158 301.540   3
   9   0   7 1033.08 377.083   3
   9   0   8 299.622 240.783   3
   9   0   9-55.8307 256.445   3
   9  -1  -9 1613.31 530.233   5
   9  -1  -8 2486.96 646.529   5
   9   1  -8 1644.82 492.740   5
   9  -1  -7 1736.87 533.976   5
   9   1  -7 743.723 402.743   5
   9  -1  -6 1929.21 544.575   5
   9   1  -6 1647.85 503.622   5
   9  -1  -5-327.203 284.111   5
   9   1  -5 54.5400 208.261   5
   9  -1  -4 500.938 307.453   5
   9   1  -4-23.6639 211.430   5
   9  -1  -3 257.602 269.114   5
   9   1  -3 676.236 330.376   5
   9  -1  -2 724.822 271.158   3
   9  -1  -2 187.405 240.129   5
   9   1  -2 996.312 423.162   5
   9   1  -1 2254.85 559.746   3
   9  -1  -1 3171.11 632.829   3
   9  -1  -1 2550.91 583.245   5
   9   1  -1 4020.73 715.359   5
   9   1   0 2767.50 582.895   3
   9  -1   0 2480.00 509.243   3
   9  -1   0 2372.12 544.911   5
   9   1   1 2318.97 559.940   3
   9  -1   1 2227.17 512.066   3
   9  -1   1 2104.07 524.820   5
   9   1   2 5567.05 827.620   3
   9  -1   2 5820.10 830.671   3
   9   1   3 569.764 240.699   3
   9  -1   3 612.444 308.254   3
   9   1   4 218.794 173.998   3
   9  -1   4 347.885 186.535   3
   9   1   5 1883.12 463.337   3
   9  -1   5 1618.20 449.162   3
   9   1   6 1998.52 474.070   3
   9  -1   6 1599.92 441.633   3
   9   1   7 922.546 344.047   3
   9  -1   7 1731.49 488.618   3
   9   1   8 1228.61 375.555   3
   9  -1   8 1228.99 413.894   3
   9  -2  -9 742.679 431.476   5
   9  -2  -8 322.893 180.626   5
   9   2  -8 334.811 266.020   5
   9  -2  -7 614.359 439.278   5
   9   2  -7-599.923 389.700   5
   9  -2  -6 3150.24 719.824   5
   9   2  -6 3901.15 783.977   5
   9  -2  -5 107.828 215.470   5
   9   2  -5 128.955 194.721   5
   9  -2  -4 11243.3 1213.16   5
   9   2  -4 12375.8 1299.55   5
   9  -2  -3 769.800 349.297   5
   9   2  -3 990.492 412.510   5
   9  -2  -2 4174.84 730.988   3
   9  -2  -2 4071.31 705.304   5
   9   2  -2 3999.76 722.921   5
   9  -2  -1 230.028 152.866   3
   9  -2  -1 319.102 269.449   5
   9   2   0 78.2617 169.512   3
   9  -2   0-65.6647 239.866   3
   9  -2   0 376.925 271.414   5
   9   2   1 13.3769 173.199   3
   9  -2   1 117.103 162.775   3
   9   2   2 8229.84 971.719   3
   9  -2   2 8022.11 988.615   3
   9   2   3 313.946 208.295   3
   9  -2   3 146.731 139.750   3
   9   2   4 4935.87 726.364   3
   9  -2   4 4269.20 680.165   3
   9  -2   5 238.226 200.052   3
   9  -2   6 4449.44 748.291   3
   9  -2   7 86.6774 152.780   3
   9  -3  -8 2870.32 710.499   5
   9  -3  -7 3776.20 782.387   5
   9   3  -7 4251.99 848.013   5
   9  -3  -6 1874.33 569.634   5
   9   3  -6 1378.48 479.792   5
   9  -3  -5 652.367 336.887   5
   9   3  -5 703.448 414.490   5
   9  -3  -4 345.913 284.820   5
   9   3  -4 97.3115 175.836   5
   9  -3  -3-152.357 190.612   3
   9  -3  -3 214.054 290.706   5
   9   3  -3-358.589 276.566   5
   9  -3  -2 3182.31 698.595   3
   9  -3  -1 4450.54 786.882   3
   9  -3   0 1653.56 484.744   3
   9  -3   1 8745.20 1049.93   3
   9  -3   2 2703.55 576.498   3
   9  -3   3 1501.88 445.408   3
   9  -3   4-562.775 292.377   3
   9  -3   5 39.8517 180.501   3
   9  -3   6 1923.97 498.662   3
   9  -4  -6 245.848 230.455   5
   9   4  -6 89.7877 197.721   5
   9   4  -5 8058.64 1101.37   5
   9   4  -4 329.329 264.794   5
   9  -4  -3 13655.3 1392.09   3
   9  -4  -2 489.582 301.635   3
   9  -4  -1 339.776 220.996   3
   9  -4   0 522.643 255.606   3
   9  -4   1 1158.57 394.350   3
   9  -4   2-386.409 340.008   3
   9  -4   3 3723.40 688.820   3
   9  -4   4-96.6546 208.314   3
   9  -4   5 7834.29 1016.19   3
   9  -5  -3-72.2524 234.742   3
   9  -5  -2 836.566 356.768   3
   9  -5  -1 1359.76 429.527   3
   9   5  -1 3420.50 736.854   1
   9  -5   0 3333.47 689.763   3
   9   5   0 3756.67 787.303   1
   9  -5   1 1555.07 431.572   3
   9  -5   2 3106.35 644.125   3
   9   6  -2 3228.20 743.181   1
   9   6  -1-318.017 230.943   1
   9   6   0 234.377 333.089   1
   9   6   1 1066.13 458.150   1
  10   0  -3-22.5188 221.398   5
  10   0  -2 6029.30 962.703   5
  10   0  -1 16.1525 201.983   5
  10   0   0 2371.14 578.819   3
  10   0   0 2596.49 624.965   5
  10   0   1-30.7307 166.622   3
  10   0   1 73.1437 183.857   5
  10   0   2 437.471 288.256   3
  10   0   3 216.488 214.565   3
  10   0   4 193.893 207.214   3
  10  -1  -4 1578.13 542.369   5
  10  -1  -3 1340.03 474.171   5
  10  -1  -2-247.421 288.019   5
  10   1  -2 422.718 312.388   5
  10  -1  -1-126.381 143.253   5
  10   1  -1-181.976 216.136   5
  10  -1   0-26.2515 177.254   3
  10  -1   0 273.938 284.286   5
  10   1   0 36.4714 194.862   5
  10   1   1 888.165 386.104   3
  10  -1   1 1329.99 463.332   3
  10   1   2 1992.63 522.660   3
  10  -1   2 2271.90 549.880   3
  10   1   3 2754.84 612.083   3
  10   1   4 2200.52 560.716   3
  10   1   5 1908.07 523.674   3
  10  -2  -4-70.9796 181.871   5
  10  -2  -3 2292.19 598.081   5
   0   0   0    0.00    0.00   0
TITL xl019 in P2(1)/n
REM P2(1)/n (#14 in standard setting)
CELL 0.71073   6.960947   8.931887  13.718937  90.0000  91.6637  90.0000
ZERR    1.00   0.000503   0.000699   0.000894   0.0000   0.0067   0.0000
LATT  1
SYMM -x+1/2, y+1/2,-z+1/2
SFAC C H O F As
UNIT 16.00 20.00 8.00 24.00 4.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum              32586
_shelx_res_file
;
TITL shelxt_a.res in P2(1)/n
    shelx.res
    created by SHELXL-2019/3 at 13:55:27 on 18-Sep-2024
CELL  0.71073   6.9609   8.9319  13.7189   90.000   91.664   90.000
ZERR     4.00   0.0005   0.0007   0.0009    0.000    0.007    0.000
LATT   1
SYMM  1/2 - X, 1/2 + Y, 1/2 - Z
SFAC  C    H    O    F    AS
UNIT  16 20 8 24 4
MERG   2
OMIT     0   0   4
SHEL1000 0.73
FMAP   2
PLAN   20
SIZE     0.146   0.206   0.900
ACTA
BOND
CONF
LIST   4
L.S.  10
TEMP  -162.00
WGHT    0.044400
FVAR       4.36410
AS1   5    0.555306    0.619461    0.311413    11.00000    0.02680    0.02438 =
         0.01897    0.00004   -0.00046    0.00042
F3    4    0.366286    0.735064    0.282854    11.00000    0.03627    0.04605 =
         0.03130   -0.00302   -0.00333    0.01571
F5    4    0.594366    0.598256    0.189544    11.00000    0.03819    0.05307 =
         0.02300   -0.00066    0.00708    0.00543
F2    4    0.505321    0.636438    0.432281    11.00000    0.05955    0.06045 =
         0.01874   -0.00078    0.00163    0.00938
O2    3    0.089705    0.153290    0.501166    11.00000    0.03355    0.03106 =
         0.02604   -0.00197    0.00833   -0.00348
O1    3    0.163348    0.356878    0.420708    11.00000    0.03053    0.02813 =
         0.03440   -0.00153    0.00232    0.00142
F4    4    0.741091    0.501984    0.339874    11.00000    0.05790    0.04500 =
         0.04686   -0.00180   -0.01582    0.02531
F1    4    0.398236    0.467373    0.302510    11.00000    0.06575    0.04407 =
         0.04300   -0.00016    0.00660   -0.02996
F6    4    0.707151    0.768289    0.319301    11.00000    0.04249    0.04286 =
         0.06311   -0.00509   -0.00345   -0.01696
C1    1    0.197290    0.222265    0.442990    11.00000    0.02505    0.02787 =
         0.01998   -0.00572   -0.00332   -0.00204
C2    1    0.353526    0.138312    0.405268    11.00000    0.02830    0.02598 =
         0.02257    0.00280    0.00004    0.00053
C3    1    0.479461    0.070941    0.369711    11.00000    0.02917    0.03460 =
         0.03335   -0.00120    0.00319    0.00491
AFIX 163
H1    2    0.580815    0.016719    0.341095    11.00000   -1.20000
AFIX   0
C4    1   -0.076700    0.235148    0.540495    11.00000    0.03385    0.04854 =
         0.04362   -0.00973    0.01493   -0.00208
AFIX 137
H2A   2   -0.030985    0.324746    0.575262    11.00000   -1.50000
H2B   2   -0.144696    0.170089    0.585530    11.00000   -1.50000
H2C   2   -0.164273    0.264647    0.486657    11.00000   -1.50000
AFIX   0
H3    2    0.235020    0.393626    0.386992    11.00000    0.04699
HKLF 4
REM  shelxt_a.res in P2(1)/n
REM wR2 = 0.0986, GooF = S = 1.051, Restrained GooF = 1.051 for all data
REM R1 = 0.0388 for 1900 Fo > 4sig(Fo) and 0.0501 for all 2303 data
REM 123 parameters refined using 0 restraints
END
WGHT      0.0444      0.0000
REM Highest difference peak  0.872,  deepest hole -0.923,  1-sigma level  0.116
Q1    1   0.5929  0.5168  0.3311  11.00000  0.05    0.87
Q2    1   0.5916  0.7159  0.3273  11.00000  0.05    0.83
Q3    1   0.5114  0.7182  0.2931  11.00000  0.05    0.77
Q4    1   0.5147  0.5237  0.2948  11.00000  0.05    0.73
Q5    1   0.3759  0.6318  0.2995  11.00000  0.05    0.54
Q6    1   0.5613  0.1446  0.3142  11.00000  0.05    0.54
Q7    1   0.7261  0.6108  0.3221  11.00000  0.05    0.52
Q8    1   0.6487  0.4338  0.3615  11.00000  0.05    0.51
Q9    1   0.1740  0.1232  0.4370  11.00000  0.05    0.48
Q10   1   0.6578  0.6833  0.2866  11.00000  0.05    0.47
Q11   1   0.4732  0.4516  0.3454  11.00000  0.05    0.45
Q12   1   0.3043  0.5285  0.3231  11.00000  0.05    0.42
Q13   1   0.5863  0.6091  0.4205  11.00000  0.05    0.39
Q14   1   0.6579  0.7835  0.2867  11.00000  0.05    0.37
Q15   1   0.4638  0.1789  0.3652  11.00000  0.05    0.37
Q16   1   0.7756  0.6991  0.3008  11.00000  0.05    0.37
Q17   1   0.4022  0.0487  0.3858  11.00000  0.05    0.36
Q18   1   0.3098  0.4245  0.3332  11.00000  0.05    0.35
Q19   1   0.3985  0.4262  0.2997  11.00000  0.05    0.34
Q20   1   0.0316  0.2052  0.5272  11.00000  0.05    0.33
;
_shelx_res_checksum              53313
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_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As As1 0.55531(4) 0.61946(4) 0.31141(2) 0.02340(12) Uani d 1 . .
F F3 0.3663(2) 0.7351(3) 0.28285(13) 0.0380(5) Uani d 1 . .
F F5 0.5944(3) 0.5983(2) 0.18954(13) 0.0380(5) Uani d 1 . .
F F2 0.5053(3) 0.6364(3) 0.43228(14) 0.0462(6) Uani d 1 . .
O O2 0.0897(3) 0.1533(3) 0.50117(16) 0.0301(5) Uani d 1 . .
O O1 0.1633(3) 0.3569(3) 0.42071(18) 0.0310(5) Uani d 1 . .
F F4 0.7411(3) 0.5020(3) 0.33987(16) 0.0503(6) Uani d 1 . .
F F1 0.3982(3) 0.4674(3) 0.30251(16) 0.0508(6) Uani d 1 . .
F F6 0.7072(3) 0.7683(3) 0.31930(17) 0.0496(6) Uani d 1 . .
C C1 0.1973(4) 0.2223(4) 0.44299(19) 0.0244(6) Uani d 1 . .
C C2 0.3535(4) 0.1383(4) 0.4053(2) 0.0256(6) Uani d 1 . .
C C3 0.4795(4) 0.0709(4) 0.3697(2) 0.0323(7) Uani d 1 . .
H H1 0.580815 0.016719 0.341095 0.039 Uiso calc 1 . .
C C4 -0.0767(4) 0.2351(5) 0.5405(3) 0.0417(9) Uani d 1 . .
H H2A -0.030985 0.324746 0.575262 0.063 Uiso calc 1 . .
H H2B -0.144696 0.170089 0.585530 0.063 Uiso calc 1 . .
H H2C -0.164273 0.264647 0.486657 0.063 Uiso calc 1 . .
H H3 0.235(6) 0.394(5) 0.387(3) 0.047(13) Uiso d 1 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
As1 0.02680(18) 0.0244(2) 0.01897(17) 0.00042(12) -0.00046(12) 0.00004(12)
F3 0.0363(9) 0.0460(13) 0.0313(9) 0.0157(10) -0.0033(8) -0.0030(10)
F5 0.0382(10) 0.0531(14) 0.0230(9) 0.0054(9) 0.0071(8) -0.0007(9)
F2 0.0596(13) 0.0605(16) 0.0187(8) 0.0094(11) 0.0016(9) -0.0008(10)
O2 0.0335(11) 0.0311(13) 0.0260(10) -0.0035(10) 0.0083(9) -0.0020(10)
O1 0.0305(11) 0.0281(13) 0.0344(12) 0.0014(10) 0.0023(10) -0.0015(11)
F4 0.0579(12) 0.0450(14) 0.0469(12) 0.0253(11) -0.0158(10) -0.0018(11)
F1 0.0657(14) 0.0441(14) 0.0430(12) -0.0300(12) 0.0066(10) -0.0002(11)
F6 0.0425(11) 0.0429(14) 0.0631(14) -0.0170(10) -0.0034(10) -0.0051(13)
C1 0.0251(13) 0.0279(17) 0.0200(13) -0.0020(12) -0.0033(11) -0.0057(13)
C2 0.0283(14) 0.0260(17) 0.0226(13) 0.0005(12) 0.0000(11) 0.0028(13)
C3 0.0292(14) 0.0346(19) 0.0333(16) 0.0049(14) 0.0032(12) -0.0012(15)
C4 0.0339(16) 0.049(2) 0.0436(19) -0.0021(17) 0.0149(15) -0.0097(19)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
F6 As1 F4 . . 90.03(12) ?
F6 As1 F3 . . 90.88(11) ?
F4 As1 F3 . . 179.09(11) ?
F6 As1 F2 . . 90.72(11) ?
F4 As1 F2 . . 90.39(11) ?
F3 As1 F2 . . 89.53(10) ?
F6 As1 F5 . . 91.87(11) ?
F4 As1 F5 . . 90.84(10) ?
F3 As1 F5 . . 89.20(9) ?
F2 As1 F5 . . 177.13(10) ?
F6 As1 F1 . . 179.51(12) ?
F4 As1 F1 . . 90.37(13) ?
F3 As1 F1 . . 88.72(12) ?
F2 As1 F1 . . 89.55(11) ?
F5 As1 F1 . . 87.85(10) ?
C1 O2 C4 . . 118.0(3) ?
O1 C1 O2 . . 120.3(3) ?
O1 C1 C2 . . 123.4(3) ?
O2 C1 C2 . . 116.2(3) ?
C3 C2 C1 . . 176.8(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
As1 F6 . 1.700(2) ?
As1 F4 . 1.702(2) ?
As1 F3 . 1.7091(19) ?
As1 F2 . 1.7109(19) ?
As1 F5 . 1.7122(18) ?
As1 F1 . 1.746(2) ?
O2 C1 . 1.270(3) ?
O2 C4 . 1.484(4) ?
O1 C1 . 1.261(4) ?
C1 C2 . 1.430(4) ?
C2 C3 . 1.180(4) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C4 O2 C1 O1 . . . . 0.8(4) ?
C4 O2 C1 C2 . . . . -178.7(3) ?