#------------------------------------------------------------------------------
#$Date: 2023-10-11 04:12:56 +0200 (Wed, 11 Oct 2023) $
#$Revision: 286892 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/29/2022914.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_2022914
loop_
_publ_author_name
'D\"oring, Cindy'
'Jones, Peter G.'
_publ_section_title
;
 Crystal structures of five halido gold complexes involving piperidine or
 pyrrolidine as ligands or (protonated) as cations
;
_journal_coeditor_code           YZ2040
_journal_issue                   11
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S205698902300854X
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '[Au Br3 (C5 H11 N)], C H2 Cl2'
_chemical_formula_moiety         'C5 H11 Au Br3 N, C H2 Cl2'
_chemical_formula_sum            'C6 H13 Au Br3 Cl2 N'
_chemical_formula_weight         606.77
_chemical_name_systematic
;
Tribromido(piperidine-\k<i>N</i>)gold(III) dichloromethane monosolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 96.423(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3473(3)
_cell_length_b                   22.0860(8)
_cell_length_c                   8.5066(3)
_cell_measurement_reflns_used    8200
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.7580
_cell_measurement_theta_min      2.6540
_cell_volume                     1371.72(9)
_computing_cell_refinement
;
CrysAlisPro, Version 1.171.37.35 (Agilent, 2014)
;
_computing_data_collection
;
CrysAlisPro, Version 1.171.37.35 (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlisPro, Version 1.171.37.35 (Agilent, 2014)
;
_computing_molecular_graphics
;
Siemens XP (Siemens, 1994)
;
_computing_publication_material
;
<i>SHELXL2018/3</i> (Sheldrick, 2015)
;
_computing_structure_refinement
;
<i>SHELXL2018/3</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur, Eos'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            36043
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         30.927
_diffrn_reflns_theta_min         2.580
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    19.815
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Agilent, 2014)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.938
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.833
_refine_ls_extinction_coef       0.00041(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
<i>SHELXL2018/3</i> (Sheldrick 2015)
;
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         4139
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0242
_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^)+(0.0061P)^2^+2.1369P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0373
_refine_ls_wR_factor_ref         0.0385
_reflns_number_gt                3658
_reflns_number_total             4139
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yz2040sup1.cif
_cod_data_source_block           7
_cod_original_cell_volume        1371.71(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2022914
_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   0.155
_shelx_estimated_absorpt_t_max   0.242
_shelx_hkl_file
;
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   0   0   1 267.528 130.274  15
   0   0   1 542.609 106.636   8
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   0   0  -1 380.320 79.2114   1
   0   0   1 439.923 108.079  10
   0   0  -2 203934. 3978.03   4
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   0   0  -2 206962. 4078.88   8
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   0   0   2 207634. 3866.60   7
   0   0  -2 217426. 4192.00   9
   0   0  -2 203897. 4068.82   1
   0   0   2 215690. 4013.05   1
   0   0   2 208845. 4142.56   8
   0   0  -2 212538. 4048.49  11
   0   0   2 198211. 4518.46  15
   0   0  -3 605.287 180.125   7
   0   0   3 560.720 363.531  15
   0   0  -3 677.636 257.332  13
   0   0   3 662.763 262.827  11
   0   0  -3 585.206 305.459  14
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   0   0   3 462.531 269.351  10
   0   0   3 778.680 220.734   1
   0   0  -3 665.549 226.784   9
   0   0   3 671.044 286.715   9
   0   0  -3 547.242 298.504  15
   0   0   3 569.702 236.781   8
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   0   0  -3 659.615 221.556   8
   0   0  -3 143.319 145.158   4
   0   0  -3 778.353 227.470   1
   0   0  -4 251059. 5052.65   7
   0   0   4 247449. 5473.21   8
   0   0   4 251290. 5237.74  11
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   0   0   4 236094. 4803.87   7
   0   0  -4 234185. 5299.22  13
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   0   0   4 249466. 5088.92   1
   0   0  -4 241542. 5293.88   1
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   0   0  -5 500.152 290.243  13
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   0   0   5 608.160 604.016  15
   0   0   6 362481. 9467.36  15
   0   0  -6 377846. 8212.81   2
   0   0  -6 392434. 8005.61   3
   0   0   6 392048. 7897.99   1
   0   0  -6 374232. 8181.43  13
   0   0   6 374051. 8413.47   9
   0   0   6 386133. 8479.17  10
   0   0  -7-264.251 368.327   2
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   0   0  -8 586.591 377.464   2
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   0   0  -8 1810.60 565.002  13
   0   0  -8 521.991 441.678   3
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   0   0   9-355.628 595.015  10
   0   0   9 622.293 686.115   9
   0   0  -9 280.020 401.183   3
   0   0 -10 68062.2 3137.32   3
   0   0 -10 69518.2 3484.56  12
   0   0  10 63808.5 3505.43  10
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   0   0 -11 178.618 721.296   6
   0   0  11-101.759 629.037  10
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   0   1   3 5636.40 489.755  11
   0   1   4 217.724 263.018   1
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   0  -1  -4 453.670 274.667  13
   0   1  -4 352.206 189.088  11
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   2   2   7 1400.09 585.084   8
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   2   2   7 2368.44 600.295   9
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   2 -10  -8 121752. 5551.41   6
   2 -10  -8 123217. 4504.77   3
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   2  10  -7 15506.5 1431.25   5
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   2 -10  -7 14734.7 1746.76   6
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   3  -1   4 702.512 121.772   1
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   3   1   6 17928.1 1381.49   9
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   3  -1   6 19535.8 1728.00   8
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   3  -1   6 18302.4 1047.19   7
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   3   2 -10 83065.5 3736.55   5
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   3   2   2 226964. 4322.13   5
   3   2   2 213166. 5413.25  12
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   3   2   2 224335. 4541.79   9
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   3   2   2 229303. 5258.86   8
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   3  -2   2 232451. 5430.85   8
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   3  -2   3 34442.5 957.146   1
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   3   2   3 37322.4 1828.59  11
   3  -2   3 40749.6 1954.33  11
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   3   2   3 41940.8 1850.42   8
   3  -2   3 40404.9 1944.96   8
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   3   2   5 810.496 168.454   7
   3  -2   6 247481. 6786.11  11
   3   2   6 248378. 6308.18  10
   3   2   6 246392. 6797.85  11
   3   2   6 259109. 5397.00   1
   3  -2   6 249823. 6554.59   9
   3   2   6 249419. 6250.94   9
   3   2   6 251809. 6899.50   8
   3  -2   6 252851. 7205.17   8
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   3   3   6 55970.3 2044.61   1
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   3   3   7 6494.20 1043.69   8
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   3  -3   7 5527.32 688.932   7
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   3   3   8 13216.4 1317.42   9
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   3   3   9 5273.43 1043.53  10
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   3   3   9 5303.86 1197.52   8
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   3  -3  10 10633.5 1522.75  11
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   3   4 -11-474.575 672.665  12
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   3   4 -10 122625. 5265.20  12
   3  -4 -10 121378. 5523.10  12
   3   4 -10 119156. 4663.17   5
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   3   4  -8 35674.7 2174.22   5
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   3  -4  -8 35199.2 2579.08  12
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   3  -4  -8 39008.8 1964.72   3
   3   4  -7-223.564 587.512   6
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   3  -4  -7-14.7495 624.710   6
   3  -4  -7 638.723 406.719   3
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   3   4  -7 822.504 639.691  12
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   3   4  -6 70178.5 3118.79   6
   3  -4  -6 72108.1 3550.97   6
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   3  -4  -6 68917.5 1834.46   2
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   3   4   5 3913.05 580.507   9
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   3   4   6 155897. 5064.87  11
   3  -4   6 156619. 5041.09  11
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   3   4   6 157844. 4195.68   1
   3   4   6 154052. 4512.58  10
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   3   4   6 155430. 4446.15   9
   3   4   6 153703. 4955.99   8
   3  -4   6 148816. 5347.23   8
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   3  -4   6 162285. 4551.74   7
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   3   4   7 391.713 492.637  11
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   3   4   7 723.067 595.958   8
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   3   4   8 7421.59 1113.90  10
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   3   4   8 7674.53 1172.23   8
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   3   4  10 11682.8 1712.33   8
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   3  -4  11 73.3926 660.549  11
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   3   5 -11 181.193 674.040  12
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   3  -5   0 760.466 248.880  12
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   3   5   0 566.028 244.180  11
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   3   5   1 700.064 501.608  12
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   3   5   1 237.178 308.394   8
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   3  -5   2 11658.9 883.110   5
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   3   5   2 10818.2 881.180   8
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   3   5   2 11574.7 615.024   7
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   3   5   3-40.9133 384.196  11
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   3   5   3 420.716 163.161   5
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   3   5   3 415.425 239.059  10
   3  -5   3 268.636 217.811   5
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   3   6   6 102225. 3994.16  11
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   3   6   8 17997.4 1769.14   8
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   3   6   9-633.788 649.208   8
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   3  -6  10 13287.5 1673.79  11
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   3  -7 -11 1805.48 1078.12   6
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   3   7 -10 919.288 844.475  12
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   3   7 -10 714.148 601.918   5
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   3   7  -9 3146.85 834.796   6
   3  -7  -9 2612.37 1081.91   6
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   3   7  -9 3889.87 873.446   5
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   3   7  -8 1011.07 607.843  12
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   3  -7  -8 1158.48 793.333   6
   3  -7  -8 1305.38 538.676   3
   3   7  -8 2026.87 668.563   5
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   3  -7  -7 5419.85 1177.67   6
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   3   7  -7 4328.68 925.970  12
   3   7  -7 6021.85 931.294   5
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   3   7  -7 4977.13 900.493   6
   3  -7  -7 5188.25 811.023   3
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   3   7  -6 463.402 511.963  12
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   3  -7  -6 1657.79 527.050   3
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   3   7  -6 1432.15 542.957   5
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   3   7  -6 1314.92 517.135   6
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   3  -7  -5 20467.5 723.724  13
   3  -7  -5 27583.8 2084.28   6
   3   7  -5 25945.4 1815.99  12
   3  -7  -5 22439.5 1454.67   3
   3   7  -5 23905.8 1585.78   5
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  -3   7   5 24460.9 1863.64  15
   3  -7  -5 21458.7 739.329   2
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   3 -10   8 20049.9 2001.12   9
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   4   1  -6 32822.9 2352.38   6
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   4   1  -5 4158.84 836.233   6
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   4   1   1 2339.48 517.890  11
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   4   1   2 3495.13 648.364  11
   4  -1   2 3103.96 651.574  11
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   4  -1   2 3642.16 487.232   9
   4   1   2 3358.18 421.230   9
   4   1   2 4637.53 715.834   8
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   4   1   2 4275.50 669.288  12
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   4   1   3 21.6272 450.937  11
   4  -1   3-233.553 501.793  11
   4  -1   3 292.741 158.969   5
   4  -1   3 146.408 271.124   9
   4   1   3-60.3353 209.167   9
   4   1   3-51.8816 93.1766   5
   4   1   3-275.698 394.839   8
   4  -1   3 235.475 412.946   8
   4   1   4 38670.9 1581.45   1
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   4  -1   4 36997.4 1180.59   1
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   4   1   4 38852.9 2203.50  11
   4  -1   4 41831.9 2287.05  11
   4  -1   4 40254.6 1884.73   9
   4   1   4 40956.3 1785.29   9
   4  -1   4 38141.2 1053.97   1
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   4   1   4 39282.5 2168.83   8
   4  -1   4 39032.2 2223.14   8
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  -4   1  -4 40516.7 2152.81   2
   4   1   4 39198.1 1763.53   7
   4  -1   4 37338.9 1910.20   7
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   4   1   5 166.404 506.351  11
   4  -1   5 380.023 522.971  11
   4   1   5 80.8965 142.983   1
   4  -1   5 778.729 456.245   9
   4   1   5 283.670 394.919   9
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   4   1   5 495.761 455.224   8
   4  -1   5 1189.95 746.081   8
   4  -1   5 596.618 369.305   7
   4   1   5 515.103 273.389   7
   4   1   6 16914.4 1607.71  11
   4  -1   6 17259.9 1628.20  11
   4  -1   6 17090.8 1403.42   9
   4   1   6 18617.1 1401.90   9
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   4   1   6 16602.3 1656.70   8
   4  -1   6 18865.8 1801.07   8
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   4   1   7 555.716 687.809  11
   4  -1   7 884.971 641.697  11
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   4  -1   7 57.2194 478.931   9
   4   1   7 582.972 459.668   9
   4   1   7 1488.84 733.638   8
   4  -1   7 372.683 689.460   8
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   4   1   8 601.128 755.441  11
   4  -1   8 708.753 621.342  11
   4  -1   8 436.582 528.624   9
   4   1   8 744.611 540.165   9
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   4   1   8 1968.15 906.460   8
   4  -1   8-541.408 811.203   8
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   4   1   9 2065.07 811.614  11
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   4  -1   9 2838.70 815.068   9
   4   1   9 2754.31 766.166   9
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   4   1   9 2730.76 955.731   8
   4  -1   9 2533.25 986.879   8
   4   1  10 17580.9 2043.84  11
   4  -1  10 14166.0 1858.81  11
   4  -1  10 18668.6 1977.80   9
   4   1  10 16467.7 1793.92   9
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   4   1  10 15339.9 2108.76   8
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   4   2 -11 2150.73 1078.67   6
   4   2 -11 2547.05 1023.87  12
   4  -2 -11 787.401 817.032  12
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   4   2 -11 1202.55 590.602   5
   4   2 -10 45035.0 3421.18   6
   4  -2 -10 44638.9 3587.95   6
   4   2 -10 43511.0 3223.20  12
   4  -2 -10 47242.6 3410.59  12
   4   2 -10 39172.1 2662.24   5
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   4   2  -9 10335.0 1609.38   6
   4  -2  -9 10747.6 1768.90   6
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   4   2  -8 14198.1 1695.18   6
   4  -2  -8 10166.0 1587.86   6
   4   2  -8 13097.2 1654.41  12
   4  -2  -8 10816.8 1537.22  12
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   4  -2  -7 4185.18 1174.21   6
   4   2  -7 1980.55 807.012  12
   4  -2  -7 1160.66 758.489  12
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   4   2  -7 1842.55 783.746   6
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   4  -2  -6 155846. 5677.03   6
   4   2  -6 161768. 5570.39  12
   4  -2  -6 161087. 5643.35  12
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   4   2  -6 161415. 5594.46   6
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   4   2  -5-55.8018 518.075   6
   4  -2  -5-29.6067 545.650   6
   4   2  -5 588.935 542.692  12
   4  -2  -5 332.409 595.821  12
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   4  -2  -5 283.273 91.5924   8
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   4  -2  -4 44557.1 2566.88   6
   4   2  -4 37691.5 2234.22  12
   4  -2  -4 42395.6 2377.24  12
   4   2  -4 38683.5 2292.14   6
   4   2  -4 42008.7 1412.46  11
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   4  -2  -4 43142.5 1207.07   8
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   4   2  -3 2360.19 637.191   6
   4  -2  -3 2928.17 824.168   6
   4   2  -3 1814.60 598.453  12
   4  -2  -3 3116.02 690.882  12
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   4   2  -3 2711.04 370.755  11
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   4   2  -2 113785. 3976.95   6
   4  -2  -2 122076. 4281.26   6
   4   2  -2 124056. 3934.37  12
   4  -2  -2 119059. 3747.46  12
   4   2  -2 119277. 2999.30  11
   4  -2  -2 119380. 3494.50  11
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   4   2  -2 120633. 2756.93   9
   4  -2  -2 121973. 2923.25   8
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   4  -2  -1 12814.4 1282.43   6
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   4  -2  -1 12867.7 1007.83  12
   4   2  -1 11912.9 1087.50  12
   4   2  -1 11982.4 828.161  11
   4  -2  -1 11674.2 984.397  11
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   4   2  -1 11795.9 530.963   9
   4   2  -1 12244.6 851.315   8
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   4  -2   0 298162. 7606.43   6
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   4   2   0 299060. 7051.86  12
   4  -2   0 308949. 6652.52  12
   4   2   0 301663. 6587.04  11
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   4   2   0 309155. 6545.58   8
   4  -2   0 308333. 6551.34   8
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   4  -2   1 27747.8 1370.10  12
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   4   2   1 25565.0 1439.10  11
   4  -2   1 26626.1 1592.96  11
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   4   2   1 26822.1 920.285   9
   4   2   1 26919.3 1465.80   8
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   4  -2   1 28676.9 1236.31   1
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   4   2   1 25092.7 1551.04  12
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   4  -2   2 20919.2 1167.01  12
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   4   2   2 20460.0 1393.29  11
   4  -2   2 20461.7 1479.06  11
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   4   2   2 21952.4 943.774   9
   4   2   2 20835.7 1375.16   8
   4  -2   2 21375.6 1409.28   8
   4  -2   2 19703.6 916.727   1
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   4   2   2 21697.9 1468.52  12
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   4   2   3 4721.23 776.118  11
   4   2   3 5259.74 351.760   5
   4  -2   3 3686.37 715.487  11
   4  -2   3 5869.86 527.679   5
   4  -2   3 5305.61 680.589   9
   4   2   3 6273.21 584.792   9
   4  -2   3 5640.14 383.165   1
   4   2   3 6782.25 875.028   8
   4  -2   3 5662.70 872.894   8
  -4  -2  -3 5595.31 759.445  13
   4   2   4 202447. 4981.16   1
  -4   2  -4 199482. 4579.52  12
   4   2   4 213109. 5878.15  11
   4  -2   4 208699. 5949.45  11
   4  -2   4 210047. 5370.70   9
   4   2   4 208106. 4919.89   9
   4   2   4 210510. 5766.69   8
   4  -2   4 211032. 5982.29   8
  -4  -2  -4 219518. 5573.81   2
   4   2   4 194163. 4835.85   7
   4  -2   4 215544. 5585.45   7
  -4   2  -4 219086. 5842.63   2
  -4  -2  -4 212378. 5479.60  13
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  -4   2  -5 12388.5 1270.62   2
   4   2   5 12863.7 1343.98  11
   4  -2   5 11706.1 1305.57  11
  -4   2  -5 12504.9 1274.54  13
   4   2   5 12949.2 1050.53   9
   4  -2   5 12889.9 1175.17   9
   4   2   5 10587.3 1188.94   8
  -4  -2  -5 11478.3 1166.48  13
   4  -2   5 12913.3 1396.82   8
   4   2   5 12356.6 787.430   7
   4  -2   5 12194.8 1103.51   7
   4   2   5 12667.9 863.596   1
   4   2   6 64126.7 3182.05  11
   4  -2   6 62944.9 3157.81  11
   4  -2   6 68748.7 2963.72   9
   4   2   6 63344.1 2672.15   9
   4   2   6 69847.9 3342.93   8
   4  -2   6 66036.2 3419.76   8
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   4   3   0 30233.8 1456.00  11
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   4   3   1 893.466 403.609  11
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   4   3   1 181.289 84.4564   9
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   4  -3   2 182.387 226.231  12
   4   3   2 126.601 363.965  12
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   4   3   2 150.897 198.448   5
   4   3   2 129.580 131.986   9
   4   3   2 317.151 357.856   8
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   4   3   3 2318.60 650.792  11
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   4   3   3 1398.63 212.090   5
   4  -3   3 1448.72 556.035   9
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   4   3   3 2965.72 690.668   8
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   4  -3   3 3447.64 818.303   8
   4  -3   3 1667.82 197.731   1
   4   3   4 42800.0 1952.88   1
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   4   3   4 41611.1 2264.96  11
   4  -3   4 41694.9 2348.69  11
   4  -3   4 41326.8 1292.74   5
   4  -3   4 42783.6 2104.97   9
   4   3   4 42733.9 1705.59   9
   4   3   4 41746.7 2214.36   8
   4  -3   4 44407.6 2435.57   8
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   4  -3   4 41663.0 2175.00   7
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   4   3   5 6555.92 761.817  10
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   4   3   5 5264.72 678.158   9
   4   3   5 6510.08 1006.90   8
   4  -3   5 6333.82 1068.41   8
   4   3   5 5086.69 435.839   7
   4  -3   5 6344.74 875.371   7
   4   3   5 4938.66 653.281   1
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   4   3   6 20540.9 1753.36  11
   4  -3   6 19389.6 1738.67  11
   4   3   6 21962.8 1491.60  10
   4  -3   6 21245.5 1634.63   9
   4   3   6 21591.8 1477.74   9
   4   3   6 23216.5 1852.49   8
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   4  -3   6 22868.2 2040.63   8
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   4  -3   6 23207.5 1544.19   7
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   4   3   7 2859.66 817.028  11
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   4   3   7 4196.30 769.984   9
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   4   3   7 5118.72 1065.46   8
   4  -3   7 2895.71 822.796   8
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   4   3   8 5561.98 1143.12  11
   4  -3   8 8843.85 1327.72  11
   4  -3   8 7560.80 1174.62   9
   4   3   8 9330.33 1182.92   9
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   4   3   8 7914.12 1324.21   8
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   4   3   9 3638.04 982.629  11
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   4  -3   9 3409.03 903.275   9
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   4   3   9 5424.14 1291.01   8
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   4  -3  10 34219.2 2802.06  11
   4  -3  10 34390.6 2690.81   9
   4   3  10 33214.3 3026.88   8
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   4   4 -11 7519.25 1407.20  12
   4  -4 -11 8563.26 1798.61   6
   4   4 -11 5758.71 1065.34   5
   4  -4 -10 61873.8 4326.99   6
   4   4 -10 59881.3 3885.21   6
   4   4 -10 62737.3 3866.71  12
   4  -4 -10 63475.1 4055.99  12
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   4   4 -10 59884.9 3354.90   5
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   4  -4  -9-898.773 789.402  12
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   4   4  -9 1571.28 699.792   5
   4  -4  -9-449.941 942.984   6
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   4   4  -9 413.518 692.015   6
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   4  -4  -8 22854.8 2331.76   6
   4   4  -8 21584.3 2085.91  12
   4  -4  -8 21221.5 2128.22  12
   4   4  -8 21013.7 2054.16   6
   4   4  -8 25147.3 1919.25   5
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   4   4  -7 4430.42 978.673   6
   4  -4  -7 4954.80 1077.79   6
   4   4  -7 4225.09 1037.36  12
   4  -4  -7 3429.46 911.503  12
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   4   4  -6 185098. 5873.60   6
   4  -4  -6 183761. 6325.55   6
   4   4  -6 175158. 5868.06  12
   4  -4  -6 179434. 6091.09  12
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  -4   4   6 171667. 4769.39   4
  -4   4   6 183704. 6167.68  15
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   4   4  -5 8583.69 1130.98   6
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   4   4  -5 8915.52 1212.96  12
   4  -4  -5 10452.1 1404.85   6
   4  -4  -5 7157.20 1128.18  12
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   4   4  -4 23221.5 1736.94   6
   4  -4  -4 26539.7 2025.54   6
   4   4  -4 27505.6 1895.80  12
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   4   4  -4 22897.0 676.062  11
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   4  -4  -4 23598.1 1785.90  12
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   4   4  -3 9663.46 1091.56  12
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   4   4  -3 8225.66 984.650   6
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   4  -4  -3 9392.74 1193.05   6
   4  -4  -3 9421.20 1053.20  12
   4   4  -3 9593.39 511.325  11
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   4  -4  -3 10557.9 603.633   8
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   4   4  -2 53821.6 2526.44  12
   4  -4  -2 58054.8 2451.28  12
   4   4  -2 54777.6 1675.84  11
   4  -4  -2 55489.4 2371.47  11
   4   4  -2 59148.1 1622.50   9
   4  -4  -2 57139.2 1816.14   8
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   4  -4  -2 56760.8 2835.83   6
  -4   4   2 58379.1 2194.73   4
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   4  -4  -2 54578.3 2033.55  14
   4   4  -2 52633.7 2459.17   6
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   4   4  -1 9653.91 1064.78   6
   4  -4  -1 7380.63 1059.19   6
   4   4  -1 9627.93 1033.16  12
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   4  -4  -1 8796.07 859.065  12
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   4   4  -1 9664.69 705.597  11
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   4  -4  -1 8941.32 970.360  11
   4   4  -1 7855.34 378.030   9
   4  -4  -1 9376.66 772.873   8
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  -4  -4   1 9472.68 981.932  14
   4  -4   0 169800. 5258.44   6
   4   4   0 173818. 4967.19  12
   4  -4   0 175317. 4240.97  12
  -4   4   0 171906. 4449.43  13
   4   4   0 178833. 4255.73  11
   4  -4   0 164554. 4750.26  11
  -4   4   0 171895. 3381.24  14
   4   4   0 172640. 4349.84   8
   4  -4   0 172947. 4381.53   8
  -4  -4   0 170075. 4199.16   4
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   4   5   4 26399.0 1299.51  10
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   4   5   4 23445.9 1650.13   8
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   4   5   5 1327.04 390.829  10
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   4   5   6 36196.3 2350.74  11
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   4   5   6 34543.1 2252.44   8
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   4   5   7 1522.71 767.124   8
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   4   5   8 13403.6 1645.45   8
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   4   5   9 949.002 772.601   8
   4  -5  10 42737.7 3183.39  11
   4  -5  10 46226.5 3182.55   9
   4   5  10 48027.9 3562.57   8
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   4   6 -11 970.126 923.756  12
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   4   6 -10 59463.5 3725.02  12
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   4   6 -10 55371.0 3233.07   5
   4  -6 -10 60964.6 4298.67   6
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   4   6  -7 1752.76 654.515   6
   4  -6  -7 99.0132 633.334   6
   4   6  -7-223.726 667.821  12
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   4  -6  -7 269.674 626.813  12
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   4   6  -6 278367. 7443.81   6
   4  -6  -6 253362. 6430.16   3
   4   6  -6 271500. 7682.30  12
   4   6  -6 269548. 7050.72   5
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   4  -6  -6 258423. 8046.48   6
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   4  -6  -5 6523.53 548.630  13
   4   6  -5 7935.67 1065.88   6
   4  -6  -5 6168.71 1171.23   6
   4   6  -5 6957.33 1078.48  12
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   4  -6   4 76658.9 3324.59   7
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   4   6   5 24814.7 1704.68   1
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   4   6   5 25195.5 1853.30  11
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   4   6   5 22914.4 1362.76  10
   4  -6   5 25094.9 1847.75   9
   4   6   5 26531.4 1842.31   8
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   4   6   6 58855.6 3064.41  11
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   4   6   6 57164.9 2466.55  10
   4   6   6 57583.1 2589.78   1
   4  -6   6 56858.5 2957.42   9
   4   6   6 53960.1 2868.16   8
   4  -6   6 55599.8 3298.13   8
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   4  -6   6 59878.9 2911.49   7
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   4  -6   8 205.619 539.556  11
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   4   6   8 643.773 782.513   8
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   4  -6   9 2692.43 932.087  11
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   4   6   9 2889.40 833.484  10
   4  -6   9 2248.10 816.888   9
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   4   6   9 1931.58 849.028   8
   4  -6  10 52726.4 3540.42  11
   4  -6  10 56354.9 3546.77   9
   4   6  10 55472.0 3810.44   8
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   4   7 -11 2585.51 1000.25  12
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   4   7  -6 8965.26 1212.24   6
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   4   7  -5 11691.3 1248.71   5
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   4   7   0 41611.4 2354.28  12
   4  -7   0 45069.6 1701.86  12
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   4   7   0 43764.4 1672.21  11
   4  -7   0 40832.1 2266.70  11
   4   7   0 45622.3 1920.61   5
   4   7   0 39409.1 969.179  10
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   4  -7   0 42977.6 2003.13   8
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   4   7   1 3414.20 948.235  12
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   4   7   2 1424.05 800.673  12
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   4  -7   2 2862.66 407.907   1
   4   7   2 2792.04 682.121  11
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   4   7   2 1585.13 243.327  10
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   4   7   3 2024.71 590.978  11
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   4   7   3 2362.11 442.048   5
   4   7   3 2103.73 334.129  10
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   4   7   3 2483.60 645.027   8
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   4   7   3 2438.84 317.322   7
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   4   7   4 41638.3 2308.48   1
   4   7   4 39672.5 2245.17  11
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   4   7   4 38223.2 1614.40  10
   4  -7   4 40206.8 2322.67   9
   4   7   4 40519.9 2202.87   8
   4  -7   4 38870.3 2474.88   8
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   4  -7   4 40341.6 2431.57   7
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   4   7   5 337.518 537.996  11
   4  -7   5 183.117 563.515  11
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   4   7   5-215.494 313.966  10
   4  -7   5 132.202 547.290   9
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   4   7   5-618.324 454.175   1
   4   7   5 1137.15 629.652   8
   4  -7   5 288.970 735.375   8
   4  -7   5 1290.80 734.823   7
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   4   7   6 28523.3 2149.86  11
   4  -7   6 28137.7 2173.03  11
   4   7   6 24977.1 1585.46  10
   4  -7   6 26329.3 2074.87   9
   4   7   6 26947.8 1986.55   8
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   4  -7   6 27072.8 2019.12   7
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   4   7   6 26485.7 1823.84   1
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   4  -7   7 4425.46 982.068  11
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   4  -7   7 3685.91 999.494   9
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   4   7   7 3717.62 892.405   8
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   4  -7   7 2822.39 710.971   7
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   4  -7   8 6326.68 1200.35  11
   4   7   8 4633.98 929.481  10
   4  -7   8 4588.21 1009.07   9
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   4   7   8 4257.05 966.298   8
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   4  -7   9 124.595 617.383  11
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   4   7   9-313.111 501.383  10
   4  -7   9-151.322 657.326   9
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   4   7   9-444.734 654.614   8
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   4  -7  10 26950.0 2491.84  11
   4   7  10 24238.2 2519.24   8
  -4   7 -10 28851.2 2585.25   2
   4   8 -11 166.947 696.776  12
   4   8 -11 519.763 684.465   5
   4  -8 -10 35529.3 3412.04   6
   4   8 -10 39629.2 3072.77  12
   4  -8 -10 40295.2 3274.46  12
   4   8 -10 40606.4 2789.11   5
  -4   8  10 37195.9 2757.07  10
  -4  -8  10 40896.4 2930.33   4
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   4  -8  -9-873.400 924.368  12
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   4   8  -9-426.671 544.724   5
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   4   8  -8 18924.2 1800.31   6
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   4  -8  -8 15795.1 2076.14   6
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   4   8  -8 17243.9 1654.78   5
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   4  -8  -6 147906. 4659.43   3
   4   8  -6 151139. 4896.49   6
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   4   8  -2 128325. 3049.40  10
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   4  -8   0 234259. 6725.71   6
   4   8   0 240366. 6726.51  12
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   4  -8   0 243683. 6087.32   8
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   4   8   1 20668.4 1270.18  11
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   4   8   1 23233.0 1319.90   5
   4  -8   1 19740.8 1626.13   6
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   4  -8   1 21177.8 1548.14   8
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   4  -8   2 28461.9 1233.81   1
   4   8   2 26120.3 2038.61  12
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   4   8   2 28467.7 1633.62  11
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   4   8   2 29431.5 1699.66   8
   4  -8   2 26301.4 1828.62   8
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   4   8   3 31293.9 1846.69  11
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   4   8   3 31257.8 1240.08  10
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   4   8   3 29605.0 1804.54   8
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   4  -8   3 33261.5 2184.75   7
   4   8   3 30147.5 1209.39   7
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   4   8   4 192283. 5599.36  11
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   4   8   4 192602. 4501.53  10
   4  -8   4 191810. 5844.98   9
   4   8   4 189381. 5458.34   8
   4   8   4 183558. 5736.70   1
   4  -8   4 182236. 6054.15   8
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   4  -8   4 198153. 6131.45   7
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   4   8   5 34181.6 2207.98  11
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   4   8   5 35066.3 1692.68  10
   4  -8   5 31183.8 2203.56   9
   4   8   5 31838.1 2048.72   8
   4  -8   5 34216.4 2331.96   7
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   4  -8   6 57213.7 3192.63  11
   4   8   6 58832.3 2514.82  10
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   4   8   6 55354.4 2912.89   8
   4  -8   6 63607.6 3233.08   7
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   4   8   6 58060.6 2878.42   1
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   4  -8   7 6972.80 1181.02   9
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   4   8   7 5002.72 927.670   8
   4  -8   7 5214.49 957.273   7
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   4   8   8 13690.1 1671.64   8
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   4  -8   9 8791.34 1402.58  11
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   4  -8   9 8402.63 1437.08   9
   4   8   9 10906.3 1629.47   8
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   4  -8  10 53718.0 3616.22  11
   4   8  10 57780.7 3864.47   8
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   4  -9 -10 2466.11 1103.93  12
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   4   9 -10 2347.19 811.217   5
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   4   9  -8 583.949 594.298   5
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   4   9  -7 8658.11 1195.84   5
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   4   9  -6 34334.5 2095.33   6
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   4  -9  -6 33233.7 2646.67   6
   4   9  -6 32896.0 2385.62  12
   4   9  -6 33312.4 2161.20   5
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   4   9  -5 3886.31 762.112   6
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   4   9  -5 5743.85 975.437   5
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   4   9  -4 11945.2 1103.97   6
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   4   9  -4 14605.5 1530.15  12
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   4   9  -4 12945.6 1278.29   5
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   4  -9  -4 11702.7 802.693   2
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   4   9  -3 2786.77 599.184   6
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   4   9  -3 3102.69 873.790  12
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   4   9  -3 2701.68 715.558   5
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   4   9  -2 17934.3 1381.95   5
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   4  -9  -2 17131.8 990.980  14
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   4  -9   0 64237.6 3056.73   6
   4   9   0 59277.3 2994.21  12
   4  -9   0 61232.0 2110.26  12
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   4  -9   0 64106.7 3049.95  11
   4   9   0 67180.9 2556.52   5
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   4  -9   1 492.461 527.245   6
   4   9   1 998.041 706.755  12
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   4  -9   1 742.024 187.287  12
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   4   9   1 577.541 353.921  11
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   4  -9   1-324.900 603.513  11
   4   9   1 1005.05 436.087   5
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   4   9   2 5147.72 1050.43  12
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   4   9   2 4046.31 660.218  11
   4  -9   2 3949.40 971.499  11
   4   9   2 4610.00 639.342   5
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   4  -9   2 3203.27 438.334   1
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   4   9   2 4441.34 745.591   8
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   4   9   3 1788.00 602.900  11
   4  -9   3 1490.35 620.560  11
   4  -9   3 316.913 553.460   7
   4   9   3 2275.03 451.477   5
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   4   9   3 2376.04 627.784   8
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   4   9   3 1932.21 323.604   7
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   4   9   4 25949.8 2000.35   1
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   4   9   4 26731.7 1869.04  11
   4  -9   4 26989.0 2072.03  11
   4   9   4 27881.1 1355.10  10
   4   9   4 28226.5 1849.83   8
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   4  -9   4 29185.1 2173.45   7
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   4  -9   5 1125.10 629.865  11
   4   9   5 1603.27 445.245  10
   4  -9   5 957.874 606.368   9
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   4   9   5 1963.28 650.083   8
   4   9   5 1796.48 682.582   1
   4  -9   5 2095.04 780.596   7
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   4  -9   6 10527.7 1438.59  11
   4   9   6 8824.73 955.444  10
   4  -9   6 9275.66 1347.10   9
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   4   9   6 10008.4 1253.47   8
   4   9   6 7937.47 1152.26   1
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   4  -9   6 10034.2 1461.60   7
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   4  -9   7 545.589 561.834  11
   4   9   7 830.459 522.823  10
   4  -9   7-160.508 553.384   9
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   4   9   7 979.298 627.206   8
   4  -9   7 22.7417 494.893   7
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   4  -9   8 1143.59 839.684  11
   4   9   8 745.602 414.116  10
   4  -9   8 691.039 882.779   9
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   4   9   8 58.9684 553.515   8
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   4  -9   9 559.457 784.643  11
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   4  -9   9-266.288 710.457   9
   4   9   9 1095.13 747.407   8
   4  -9  10 11952.8 1691.05  11
   4  10 -11 10653.6 1556.03   5
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   4 -10   4 197434. 6361.98  11
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   4 -10   4 208601. 6592.79   7
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   4  10   5 19781.8 1791.77   1
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   4  11   6 15515.5 1670.51   1
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   4  11   9 12738.4 1773.27   8
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   4  12  -8 5367.03 1236.58  12
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   4 -12  -7 15164.6 2024.23   6
   4 -12  -7 12463.5 1460.43   3
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   4  12  -7 11264.6 1477.66   5
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   4 -12  -6 157820. 5385.95   3
   4 -12  -6 149870. 6016.65   6
   4  12  -6 148602. 5629.08  12
   4  12  -6 145406. 5246.28   5
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   4  12  -5 18070.2 1787.04  12
   4 -12  -5 19666.8 1994.06   6
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   4 -14   2 1118.80 852.658   7
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   5   1   2 31184.3 1923.44  12
   5  -1   2 28098.2 1694.10  12
   5   1   2 33213.8 1978.72  11
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   5   3 -11 1600.33 719.518   5
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   5   3  -5 10398.5 1403.24   6
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   5   3  -3 7896.68 1150.49   6
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   5   3  -3 5170.62 966.645  12
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   5   3  -2 37583.6 2348.53   6
   5  -3  -2 34845.3 2465.92   6
   5   3  -2 37652.2 2242.16  12
   5  -3  -2 38162.9 2122.79  12
   5   3  -2 38364.3 1606.06  11
   5  -3  -2 36567.4 1983.95  11
   5   3  -2 37013.0 1239.30   9
   5   3  -2 36271.6 1698.57   8
   5  -3  -2 37334.8 1594.14   8
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  -5   3   2 35826.3 1749.38  13
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   5   4   7 2131.47 879.379   8
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   5   4   8 39707.1 2938.96  11
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   5   4   8 39798.8 2999.26   8
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   5   4   9 1247.72 810.375   8
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   5   5  -6 823.912 629.060   6
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   5  -5  -6 493.388 707.360  12
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   5   5  -4 11942.2 1448.59  12
   5  -5  -4 12389.2 1417.31  12
   5   5  -4 11407.9 496.024  11
   5  -5  -4 12964.5 704.462   8
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   5   5  -3 3997.50 890.297   6
   5  -5  -3 1281.33 739.885   6
   5   5  -3 1947.80 706.275  12
   5  -5  -3 2894.84 761.764  12
   5   5  -3 2782.24 343.628  11
   5  -5  -3 1224.48 524.521  11
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   5   5  -3 3060.08 416.388   9
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   5   5   8 43458.8 3098.37  11
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   5   5   8 50073.5 3354.62   8
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   5   6   2 40905.3 2114.19  11
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   5   6   2 41863.7 1739.14   5
   5   6   2 38788.4 2163.15   8
   5  -6   2 39489.7 2301.82   8
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   5   6   3 15469.9 1431.42  11
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   5   6   4 89665.9 3681.47  11
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   5   6   4 88446.3 3614.57   8
   5  -6   4 87556.5 3960.31   8
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   5   6   5 11135.4 1353.21  11
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   5   6   5 10629.1 1319.04   8
   5  -6   5 11351.6 1513.14   8
   5  -6   5 10877.5 1346.96   7
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   5   6   6 3030.74 856.747  11
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   5   6   6 2848.68 755.368   8
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   5  -6   6 4673.87 979.930   7
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   5   6   7 2253.25 894.492  11
   5  -6   7 4676.18 1103.42  11
   5  -6   7 6211.50 1150.34   9
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   5   6   7 2739.85 828.254   8
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   5   6   8 55335.7 3528.15  11
   5  -6   8 55193.0 3528.13  11
   5  -6   8 50876.1 3139.45   9
   5   6   8 56510.7 3561.77   8
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   5  -6   9 6612.22 1359.93  11
   5  -6   9 3472.96 945.938   9
   5   6   9 6706.08 1407.77   8
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   5  -7 -10 2308.71 1143.37   6
   5   7 -10 2274.63 922.851  12
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   5   7 -10 2211.47 923.186   5
  -5   7  10 2666.78 1295.90  15
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   5  -7  -9 4685.59 1420.43   6
   5   7  -9 3419.08 1133.85  12
   5  -7  -9 1950.70 898.016  12
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   5   7  -9 3140.17 877.728   5
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  -5   7   9 4837.11 1413.56  15
   5   7  -8 3452.29 1001.83   6
   5  -7  -8 2926.01 1241.02   6
   5   7  -8 2468.28 938.275  12
   5  -7  -8 3817.96 1188.34  12
   5   7  -8 2486.91 844.365   5
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   5   7  -7 7076.42 1139.12   6
   5  -7  -7 8944.51 1587.27   6
   5   7  -7 8263.23 1407.30  12
   5  -7  -7 6476.40 1352.13  12
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   5   7  -7 8335.09 1198.15   5
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  -5   7   7 6935.62 920.747   4
  -5  -7   7 7582.64 1307.41  14
   5   7  -6 2781.24 792.581   6
   5  -7  -6 594.456 729.268   6
   5   7  -6 1979.34 945.309  12
   5  -7  -6 3043.33 925.080  12
   5   7  -6 2558.26 739.592   5
  -5   7   6 2707.59 856.901   1
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   5   7  -5 6311.36 1084.48   6
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   5  -7  -5 5949.16 1286.16   6
   5   7  -5 7334.70 1200.65  12
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   5  -7  -5 6210.38 1194.94  12
   5   7  -5 5814.18 984.639   5
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   5   7  -4 652.642 462.908   6
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   5  -7  -4 439.071 619.478   6
   5   7  -4 344.243 502.534  12
   5  -7  -4 889.627 638.357  12
   5   7  -4 344.771 558.008   5
  -5  -7   4 602.485 514.525   4
  -5  -7   4 306.021 526.458  14
  -5   7   4 633.737 471.632   4
   5   7  -3 25439.7 1810.94   6
   5  -7  -3 31043.2 2442.34   6
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   5   7  -3 23390.1 1942.24  12
   5  -7  -3 24571.5 1864.60  12
   5   7  -3 26975.3 927.163  11
   5   7  -3 25630.0 1759.20   5
  -5   7   3 28739.7 1957.53   1
  -5  -7   3 25081.6 1905.28  14
  -5  -7   3 27599.3 1706.02   4
  -5   7   3 23307.2 1552.25   4
  -5   7   3 24007.1 1364.59  13
   5   7  -2 32301.7 2022.03   6
   5  -7  -2 27883.1 2267.56   6
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   5   7   4 57023.7 2848.13  11
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   5   7   4 50930.1 2686.26   8
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   5   7   8 34667.4 2782.69   8
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   5   8   5 24524.5 1933.97   8
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   5   8   8 54433.8 3487.57   8
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   5   8   9 11965.8 1747.79   8
   5   9 -10 124.966 778.312  12
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   5   9 -10 741.357 707.504   5
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   5   9  -8 13377.0 1644.23   5
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   5   9  -7 7589.57 1239.89   6
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   5  -9  -7 7389.51 1552.00   6
   5   9  -7 3851.80 1052.26  12
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   5   9  -6 13162.5 1420.71   6
   5  -9  -6 14609.0 1870.79   6
   5   9  -6 15916.6 1827.70  12
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   5  -9  -6 13969.1 1770.97  12
   5   9  -6 11935.7 1425.56   5
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   5   9  -5 1247.83 590.669   6
   5  -9  -5 519.555 639.353   6
   5   9  -5 712.670 853.144  12
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   5  -9  -5 1536.62 832.399  12
   5   9  -5 350.240 544.307   5
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   5   9  -4 5772.21 835.672   6
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   5   9  -4 5758.97 1146.36  12
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   5   9  -4 7259.27 1089.37   5
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   5   9  -3 14746.0 1342.43   6
   5  -9  -3 17563.4 1902.36   6
   5   9  -3 14576.4 1619.30  12
   5  -9  -3 15025.7 1480.51  12
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   5   9  -3 14857.4 1432.86   5
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   5  -9  -2 74333.1 3770.37   6
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   5  -9  -2 71656.0 3054.39  12
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   5  -9  -2 71024.4 2229.61  14
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   5  -9  -1 4234.22 994.870   6
   5   9  -1 3351.77 877.665  12
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   5  -9  -1 3777.37 703.151  12
   5   9  -1 4263.21 523.578  11
   5  -9  -1 4013.49 940.275  11
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   5 -11   7 5976.49 1300.95  11
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   5  11   7 5920.56 1190.21   8
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   6   1   1 2663.86 387.576   9
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   6   2   5 13533.4 1613.49   8
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   6   2   6 36835.5 2691.78  11
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   6   2   8 50154.2 3503.98  11
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   6   2   8 57165.8 3795.05   8
   6  -2   8 54982.8 3883.12   8
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   6  -3  -1 10374.5 1536.72   6
   6   3  -1 8445.53 1287.28  12
   6  -3  -1 10803.7 1176.26  12
   6   3  -1 10058.9 1010.93  11
   6  -3  -1 8074.88 1107.45  11
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   6  -3   0 804.680 885.926   6
   6   3   0 352.544 685.641  12
   6  -3   0 426.229 554.664  12
   6   3   0 702.215 550.684  11
   6  -3   0 784.640 525.007  11
   6   3   0 559.576 550.033   8
   6  -3   0 471.289 473.062   8
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   6   3   2 63764.6 2966.76  11
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   6   3   2 61926.1 2261.31   5
   6   3   2 57635.0 2817.74   8
   6  -3   2 63233.9 2991.27   8
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   6   3   6 22682.0 2155.75   8
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   6  -4  -4 138982. 3503.33   8
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   6   4   1 850.817 512.398   8
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   6   4   2 108128. 3986.49  11
   6  -4   2 111702. 4413.30  11
   6   4   2 109576. 3239.70   5
   6   4   2 110096. 4006.00   8
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   6   4   5 937.738 737.277  11
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   6   4   5 754.462 714.839   8
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   6   4   6 17363.1 1899.23  11
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   6  -4   6 12794.8 1385.05   9
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   6   4   6 11319.9 1579.91   8
   6  -4   6 13220.9 1757.91   8
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   6   4   7 126.036 669.974   8
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   6   4   8 27422.6 2590.71  11
   6  -4   8 28468.4 2697.09  11
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   6   4   8 27679.5 2657.16   8
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   6  -4   8 31708.5 3012.68   8
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   6   5  -9-574.985 816.144  12
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   6   5  -9 94.4023 646.041   5
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   6   5  -8 4193.39 1230.56   6
   6  -5  -8 5943.96 1602.57   6
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   6   5  -8 3322.76 1203.24  12
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   6   5  -8 4846.33 1145.37   5
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   6   5  -7-240.157 732.379   6
   6  -5  -7-141.229 887.808   6
   6   5  -7 742.049 791.514  12
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   6   5  -6 8605.13 1374.00   6
   6  -5  -6 8741.33 1583.86   6
   6   5  -6 9330.51 1435.99  12
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   6   5  -5 586.947 605.984   6
   6  -5  -5 1292.50 856.503   6
   6   5  -5 607.905 810.757  12
   6  -5  -5 963.507 656.900  12
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   6   5  -4 5422.10 1099.19   6
   6  -5  -4 7128.75 1460.08   6
   6   5  -4 7406.91 1287.14  12
   6  -5  -4 6621.90 1254.13  12
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   6   5  -3 1911.59 761.172   6
   6  -5  -3 2543.43 1000.49   6
   6   5  -3 2205.68 752.318  12
   6  -5  -3 1783.83 760.047  12
   6   5  -3 1944.27 373.806  11
   6  -5  -3 3469.62 759.348  11
   6   5  -3 2434.73 545.685   8
   6  -5  -3 3312.81 555.034   8
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   6  -5  -2-705.419 565.470  12
   6   5  -2-3.19030 223.872  11
   6  -5  -2 582.278 526.525  11
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   6   5  -2 428.996 398.908   8
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   6   5  -1 4.42901 578.189  12
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   6   5  -1 588.655 384.209  11
   6  -5  -1 733.933 617.918  11
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   6   5  -1 127.654 396.861   8
   6  -5  -1 856.685 435.568   8
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   6   5   0 1405.54 804.868  12
   6  -5   0 1107.14 441.546  12
   6   5   0 1829.89 528.793  11
   6  -5   0 1632.23 643.878  11
   6   5   0 1572.54 551.419   5
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   6   5   0 1719.24 617.843   8
   6  -5   0 1560.20 539.335   8
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   6   5   1 5251.96 1082.94  12
   6  -5   1 5207.05 740.767  12
   6   5   1 4444.29 764.887  11
   6  -5   1 4981.38 994.236  11
   6   5   1 3721.62 605.898   5
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   6   5   1 3385.73 753.020   8
   6  -5   1 2775.50 742.100   8
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   6   5   2 37346.3 2648.52  12
   6  -5   2 39498.5 1785.97  12
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   6   5   2 39026.1 2252.06  11
   6  -5   2 42993.6 2684.49  11
   6   5   2 36667.2 1726.42   5
   6   5   2 38817.3 2269.48   8
   6  -5   2 41389.8 2438.14   8
  -6  -5  -2 42081.5 2019.91   4
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   6   5   3-240.288 501.011  11
   6  -5   3 140.302 643.526  11
   6  -5   3-193.845 433.733   9
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   6   5   3 282.257 532.669   8
   6  -5   3 720.526 712.524   8
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  -6  -5  -4-147.687 549.616  13
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   6   5   4-178.215 534.175   8
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   6  -5   4 712.773 685.881   7
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   6   5   6 23843.7 2200.12   8
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   6   6   0 23689.2 1503.89  11
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   6   6   0 22435.8 1623.82   8
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   6   6   2 90309.8 3572.44  11
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   6   6   2 85952.1 3592.92   8
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   6  -6   3 15564.1 1665.46   8
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   6  -6   6 22939.0 2053.84   9
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   6  -6   8 22983.9 2420.34  11
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   6   6   8 24304.8 2465.87   8
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   6   7  -8 9165.56 1545.61   6
   6  -7  -8 5955.00 1501.27   6
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   6   7  -7 1637.85 810.842   6
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   6   7  -5 16907.4 1756.12   6
   6  -7  -5 14079.0 1927.00   6
   6   7  -5 13006.8 1666.25  12
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   6   7  -5 14129.2 1549.18   5
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   6   7  -4 21031.3 1930.77   6
   6  -7  -4 23385.6 2103.59  12
   6  -7  -4 24137.3 2387.60   6
   6   7  -4 20989.3 2032.60  12
   6  -7  -4 23864.6 1960.07  11
   6   7  -4 24330.9 1917.93   5
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   6   7  -3 22742.5 1894.39   6
   6  -7  -3 23138.6 1916.02  12
   6  -7  -3 22673.5 2290.00   6
   6   7  -3 18416.2 1896.16  12
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   6   7  -3 19436.0 1662.95   5
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   6   7  -2 7332.88 1005.46   5
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   6  -7   1 16904.9 1162.64  12
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   6   7   1 17893.5 1426.22  11
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   6   7   2 64292.1 2914.90  11
   6  -7   2 64471.7 3464.95  11
   6   7   2 66279.6 2508.39   5
   6   7   2 61803.7 2993.61   8
   6  -7   2 62581.5 3222.82   8
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   6   7   3 4602.62 962.226   8
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   6   7   4 4068.62 910.392  11
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   6  -7   4 5694.27 1044.84   9
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   6   7   4 3432.64 862.768   8
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   6  -7   4 4208.81 932.625   7
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   6   7   5-249.539 640.086  11
   6  -7   5 954.451 708.658  11
   6  -7   5 146.097 484.293   9
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   6   7   5-73.1968 551.667   8
   6  -7   5-177.974 765.257   8
   6  -7   5 1037.62 638.339   7
  -6  -7  -6 24636.8 2101.19   3
   6   7   6 25163.3 2302.17  11
   6  -7   6 31235.5 2709.14  11
   6  -7   6 27103.7 2254.11   9
   6   7   6 24985.7 2245.84   8
   6  -7   6 29828.2 2724.26   8
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   6   7   7 82.1068 643.380  11
   6  -7   7 1444.80 955.633  11
   6  -7   7 492.529 597.493   9
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   6   7   7-59.8878 591.760   8
   6  -7   8 36218.7 2744.90   9
   6   7   8 34405.5 2972.41   8
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   6  -8  -9-367.242 992.996   6
   6   8  -9 1163.32 990.211  12
   6  -8  -9 1843.52 1052.04  12
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   6   8  -9 2086.11 831.925   5
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   6  -8  -8 65843.1 4539.43   6
   6   8  -8 58694.1 3980.89  12
   6  -8  -8 63419.9 4219.82  12
   6   8  -8 57998.9 3497.70   5
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   6   8  -7 1776.60 803.268   6
   6  -8  -7 133.479 892.828   6
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   6  -8  -7-205.999 752.463  12
   6   8  -7-769.657 691.025   5
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   6   8  -6 4681.41 1041.49   5
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   6   8  -4 137227. 5006.30   6
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   6   8   2 177712. 5631.91   8
   6  -8   2 181641. 6018.82   8
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   6   8   3 39285.5 2401.01  11
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   6   8   3 35867.3 2316.68   8
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   6  -8   4 17851.4 1763.00   9
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   6  -8   5 4279.39 1002.45   7
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   6  -8   6 34417.7 2611.34   9
   6   8   6 32412.5 2573.84   8
   6  -8   6 31738.9 2816.41   8
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   6  -8   7 13040.6 1650.47   9
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   6   8   7 17466.1 2031.75   8
   6  -8   8 43052.7 3111.50   9
   6   8   8 47049.3 3416.32   8
   6  -9  -9 375.753 797.206   6
   6   9  -9 1586.80 960.344  12
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   6  -9  -8 12101.7 2087.55   6
   6   9  -8 13200.1 1922.64  12
   6  -9  -8 11271.4 1868.43  12
   6   9  -8 15550.1 1818.28   5
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   6   9  -7 320.000 516.822   6
   6  -9  -7-722.748 830.764   6
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   6   9  -7 118.715 594.444   5
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   6   9  -4 50526.8 2847.80   6
   6  -9  -4 49249.6 3444.66   6
   6   9  -4 50178.7 3238.06  12
   6  -9  -4 51892.6 3101.17  12
   6   9  -4 45196.3 2732.19   5
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   6  -9  -2 31651.8 2658.55   6
   6   9  -2 35353.8 2635.02  12
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   6   9  -2 32256.1 1407.12  11
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   6   9  -2 32500.8 2137.06   5
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   6   9  -1 177.824 524.598   5
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   6   9   0 6565.73 1176.72  12
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   6  -9   0 10612.2 999.871  12
   6   9   0 10917.6 1016.81  11
   6  -9   0 11379.4 1491.79  11
   6   9   0 11242.4 1155.89   5
   6   9   0 10594.2 1188.49   8
   6  -9   0 10135.6 1201.31   8
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   6  -9   1 8557.85 1465.02   6
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   6   9   1 9589.80 1136.10   8
   6  -9   1 11022.0 1344.77   8
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   6   9   2 79110.0 4269.88  12
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   6   9   2 80560.2 3368.21  11
   6  -9   2 84797.5 4144.61  11
   6   9   2 84023.6 3058.47   5
   6   9   2 77649.4 3460.40   8
   6  -9   2 83918.0 3853.58   8
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   6   9   3 1025.65 502.606  11
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   6   9   3 906.073 652.278   8
   6  -9   3 925.726 671.974   8
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   6   9   4 5711.82 1099.02  11
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   6  -9   4 6961.98 1166.00   9
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   6   9   4 6414.92 1115.07   8
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   6   9   5 853.033 785.610  11
   6  -9   5 141.991 620.504  11
   6  -9   5 1920.22 752.529   9
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   6   9   5 2204.58 887.049   8
   6  -9   5 995.774 660.659   7
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   6   9   6 11715.7 1644.99  11
   6  -9   6 13757.7 1880.79  11
   6  -9   6 13030.1 1657.92   9
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   6   9   6 13840.4 1755.12   8
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   6  -9   7 3744.11 1180.11  11
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   6   9   7 6639.33 1272.48   8
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   6 -10  -8 39544.6 3612.47   6
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   6 -10  -7 7630.10 1586.73   6
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   6 -10  -5 6291.03 1437.50   6
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   6  10  -4 108787. 4280.35   6
   6 -10  -4 111288. 5263.32   6
   6  10  -4 105890. 4883.63  12
   6 -10  -4 104011. 4576.19  12
   6  10  -4 102704. 4273.50   5
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   6 -10  -3 6688.83 1233.34   6
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   6 -10  -2 61849.2 3691.36   6
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   6 -10  -2 61145.3 2937.19  12
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   6 -10  -1 3780.20 701.233  12
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   6 -10   0 36565.3 2815.73   6
   6  10   0 42219.1 2976.61  12
   6 -10   0 43359.8 2012.52  12
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   6  10   0 39800.3 1956.43  11
   6 -10   0 40876.2 2781.28  11
   6  10   0 41668.1 2306.57   5
   6  10   0 40259.3 2328.47   8
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   6 -10   1 10596.1 1665.50   6
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   6  10   1 11132.8 1678.62  12
   6  10   1 9921.14 1066.46  11
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   7   2   0 139959. 5319.22  12
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   7  -2   0 145119. 5080.45  11
   7   2   0 142858. 4631.12   8
   7  -2   0 139756. 4617.87   8
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   7  -2   1-61.1680 516.189   8
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   7   2   2 25000.1 2146.70  12
   7   2   2 26926.7 2085.39  11
   7  -2   2 27915.8 2230.50  11
   7   2   2 24523.9 1931.60   8
   7  -2   2 26836.1 2068.27   8
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   7   6   5 7615.67 1332.52   8
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   7  -7  -4 18157.1 1947.88  12
   7  -7  -4 19599.5 1892.51  11
   7   7  -4 19446.4 1819.56   5
   7   7  -4 16973.8 1455.72   8
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   7  -7   0 38995.9 3139.18   6
   7   7   0 41387.5 3058.62  12
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   7   7   0 39498.3 2145.00  11
   7  -7   0 40462.9 2802.07  11
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   7   7   0 42833.7 2457.06   8
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   7   7   1 10621.4 1232.51  11
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   7   7   1 16931.2 1611.55   8
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   7   7   3 1178.59 739.849   8
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   7   7   5 4853.29 1083.10  11
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   7  -7   5 4210.69 1024.82   9
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   7   7   5 3865.24 1112.90   8
   7  -7   5 3774.02 1158.86   8
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   7   7   6 48613.8 3343.11  11
   7  -7   6 50462.1 3657.81  11
   7   7   6 52759.3 3468.23   8
   7  -7   6 48893.5 3648.82   8
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   7  -8  -8 5146.24 1610.54   6
   7   8  -8 495.142 851.588  12
   7  -8  -8 3034.91 1198.19  12
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   7   8  -8 3302.16 926.484   5
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   7   8  -7 337.464 784.607   6
   7  -8  -7-933.020 1012.00   6
   7   8  -7 1469.34 818.929  12
   7  -8  -7 671.846 773.010  12
   7   8  -7 10.7293 745.019   5
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   7   8  -5 3152.43 959.231   6
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   7   8  -4 55541.8 3124.85   5
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   7   8   0 124660. 4542.60   8
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   7   8   2 24790.2 2507.98  12
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   7   8   2 24127.5 1876.08  11
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   7  -8   2 21649.6 2005.02   8
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   7   8   4 15484.3 1759.01  11
   7  -8   4 14695.3 2004.98  11
   7  -8   4 18956.8 1875.42   9
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   7   8   4 16175.0 1802.74   8
   7  -8   4 15502.5 1931.62   8
   7  -8   4 17010.8 1917.74   7
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   7   8   5 14245.1 1767.97  11
   7  -8   5 14774.2 2046.01  11
   7  -8   5 18013.2 1869.35   9
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   7   8   5 13144.1 1717.66   8
   7  -8   5 11477.3 1777.98   8
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   7   8   6 67966.3 4011.07  11
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   7   8   6 74937.5 4222.94   8
   7  -8   6 69342.4 4408.68   8
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   7   9  -6 16489.2 1892.05   6
   7  -9  -6 15625.9 2269.75   6
   7   9  -6 10922.9 1832.06  12
   7  -9  -6 15132.4 2018.40  12
   7  -9  -6 12220.6 1631.46  11
   7   9  -6 13749.2 1765.35   5
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   7   9  -5 6977.52 1261.91   6
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   7   9  -5 8069.75 1606.30  12
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   7   9  -4 42801.3 2878.54   6
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   7   9  -4 37926.9 3082.15  12
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   7  -9  -4 36442.4 2701.94  11
   7   9  -4 37186.7 2630.89   5
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   7   9   0 82172.9 4469.59  12
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   7   9   0 79001.7 3092.76  11
   7  -9   0 77730.4 4068.28  11
   7   9   0 69129.8 3245.54   5
   7   9   0 80211.2 3532.55   8
   7  -9   0 79154.8 3675.78   8
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   7   9   2 23339.4 1847.02  11
   7  -9   2 20035.2 2138.33  11
   7   9   2 23671.4 1988.14   8
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   7  -9   2 21521.7 2071.75   8
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   7   9   5 5074.52 1097.95   8
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   7   9   6 45499.5 3286.18  11
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   7  -9   6 51471.6 3347.32   9
   7   9   6 49459.5 3422.35   8
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   7 -10  -3 15625.9 2101.59   6
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   7 -10  -2 14046.0 1949.83   6
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   7 -10   0 134710. 5952.22   6
   7  10   0 125472. 5738.03  12
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   7  10   0 121915. 4047.97  11
   7 -10   0 133024. 5549.39  11
   7  10   0 124099. 4541.33   5
   7  10   0 119244. 4638.62   8
   7 -10   0 128058. 4906.58   8
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   7 -10   1 7066.97 1224.19   8
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   7  10   2 34958.4 3101.07  12
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   7  10   2 38380.3 2378.82  11
   7 -10   2 45515.2 3233.50  11
   7  10   2 35436.7 2478.52   8
   7 -10   2 41183.1 2854.75   8
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   7  10   3 2232.10 739.154  11
   7 -10   3 1876.16 985.522  11
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   7  10   3 1913.79 740.258   8
   7 -10   3 1350.88 785.165   8
   7 -10   3 1534.58 785.786   7
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   7  10   4 30548.1 2416.68  11
   7 -10   4 36001.1 3030.71  11
   7 -10   4 31222.8 2572.25   9
   7  10   4 30258.2 2447.25   8
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   7 -10   4 31773.4 2718.09   7
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   7  10   5 857.972 814.067  11
   7 -10   5 1506.46 898.828  11
   7 -10   5 1672.86 816.132   9
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   7  10   5 633.695 750.029   8
   7 -10   5 1190.33 740.554   7
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   7 -10   6 79051.0 4830.68  11
   7 -10   6 70529.4 4117.37   9
   7  10   6 73971.7 4216.38   8
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   7 -11  -8-153.417 792.191  12
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   7 -11  -7-446.837 1097.02   6
   7  11  -7-237.767 839.157  12
   7 -11  -7-323.003 687.754  12
   7  11  -7 1783.06 897.614   5
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  -7  11   7-110.871 678.060  15
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   7  21   0 19489.0 2194.35   5
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   7 -22  -3 15924.8 2201.54   6
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   7 -22  -2 7341.71 1550.42   6
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   8   0  -8 4425.48 1365.59   6
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   8   1  -6 45543.6 3707.01   6
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   8   1   0 61089.8 3592.50  12
   8  -1   0 65276.2 3559.71  12
   8   1   0 62044.7 3222.96  11
   8  -1   0 58515.5 3283.07  11
   8   1   0 54730.9 2964.49   8
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   8   2  -8 15220.7 2294.08   6
   8  -2  -8 20054.8 2627.85   6
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   8   2  -7 1108.78 1017.51   6
   8  -2  -7 838.201 1074.89   6
   8   2  -7 2780.95 1151.52  12
   8  -2  -7 3004.11 1285.54  12
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   8   2  -6 54069.5 3988.04   6
   8  -2  -6 55222.1 4218.48   6
   8   2  -6 51092.5 3861.60  12
   8  -2  -6 54337.5 3923.35  12
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   8   2  -5 2350.51 1051.09   6
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   8   2  -4 8854.36 1566.02   6
   8  -2  -4 11330.1 1901.76   6
   8   2  -4 9619.21 1655.57  12
   8  -2  -4 12901.8 1746.90  12
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   8  -2  -2 63584.7 3625.84  12
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   8   2   0 39612.9 2957.39  12
   8  -2   0 42144.8 2785.08  12
   8   2   0 44319.0 2645.49  11
   8  -2   0 45003.0 2877.02  11
   8   2   0 42032.7 2545.35   8
   8  -2   0 46357.1 2660.18   8
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   8   2   2 7758.62 1262.59   8
   8  -2   2 7634.46 1260.55   8
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   8   2   3 282.126 592.932  11
   8  -2   3 136.976 618.062  11
   8   2   3 914.408 737.068   8
   8  -2   3 1130.19 784.966   8
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   8   2   4 67396.9 3883.92  11
   8  -2   4 69733.7 4111.88  11
   8   2   4 63841.9 3800.12   8
   8  -2   4 68981.4 3977.02   8
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   8   2   5 3104.85 1111.32  11
   8  -2   5 2126.24 960.427  11
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   8   2   5 1997.10 895.380   8
   8  -2   5 2646.26 1006.77   8
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   8   3  -8 254.525 856.920   6
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   8   3  -7 580.365 733.386   6
   8  -3  -7-1073.23 1161.48   6
   8   3  -7-152.006 919.903  12
   8  -3  -7 692.299 997.093  12
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  -8   3   7 231.288 581.481   4
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   8   3  -6 18737.5 2447.57   6
   8  -3  -6 22830.0 2710.18   6
   8   3  -6 21091.6 2526.71  12
   8  -3  -6 18415.4 2361.38  12
  -8  -3   6 21396.6 2040.38   4
  -8   3   6 20334.5 1961.56   4
  -8  -3   6 19880.2 1946.61  14
   8   3  -5 3367.59 1206.81   6
   8  -3  -5 2844.04 1098.84   6
   8   3  -5 3685.05 1136.58  12
   8  -3  -5 1289.78 838.703  12
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   8   3  -4 1317.71 1046.84   6
   8  -3  -4 2128.51 1171.06   6
   8   3  -4 36.9992 746.207  12
   8  -3  -4 1856.17 882.096  12
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   8   3  -3 3063.21 1017.39   6
   8  -3  -3 4035.23 1207.48   6
   8   3  -3 3414.65 1079.57  12
   8  -3  -3 2804.57 1003.36  12
   8  -3  -3 3783.38 847.662  11
   8   3  -3 3313.43 722.744   8
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   8  -3  -2 22876.5 2527.15   6
   8   3  -2 19817.5 2167.57  12
   8  -3  -2 19041.1 1959.19  12
   8   3  -2 19162.2 1516.38  11
   8  -3  -2 19097.0 1810.98  11
   8   3  -2 19006.0 1591.94   8
   8  -3  -2 19602.4 1599.56   8
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   8  -3  -1 2968.57 1296.67   6
   8   3  -1 853.824 742.192  12
   8  -3  -1 1200.79 644.648  12
   8   3  -1 2083.97 570.833  11
   8  -3  -1 1430.55 760.485  11
   8   3  -1 1456.04 618.158   8
   8  -3  -1 2733.36 784.129   8
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  -8   3   1 1430.64 630.447   4
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  -8   3   0 17704.9 1764.05  13
   8   3   0 18806.1 2121.78  12
   8   3   0 20638.0 1750.12  11
   8  -3   0 23907.2 2159.62  11
   8   3   0 18451.1 1707.23   8
   8  -3   0 23880.2 1907.28   8
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   8   3   1 3967.14 1034.36  12
   8   3   1 2112.01 772.442  11
   8  -3   1 3052.85 926.607  11
   8   3   1 4224.20 969.668   8
   8  -3   1 3673.22 921.984   8
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  -8   3  -2-646.764 578.210   4
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   8   3   2 469.390 618.176  11
   8  -3   2-290.517 716.324  11
   8   3   2 1159.87 793.702   8
   8  -3   2 148.647 620.900   8
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   8   3   3 1447.18 758.655  11
   8  -3   3 1071.75 834.283  11
   8   3   3 582.413 747.749   8
   8  -3   3 1546.58 835.903   8
  -8   3  -3 190.765 587.318   2
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   8   3   4 56545.4 3539.87  11
   8  -3   4 62122.5 3905.51  11
   8   3   4 58674.1 3629.07   8
   8  -3   4 57027.0 3666.51   8
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   8   4   4 34225.1 2707.78  11
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   8   4   4 39098.5 2913.16   8
   8  -4   4 34506.0 2850.83   8
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   8   5  -6 15641.8 2108.11   6
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   8   5   0 10585.6 1246.90   5
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   8   5   0 11506.4 1380.30   8
   8  -5   0 10419.2 1374.18   8
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   8   5   3 447.348 536.923  11
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   8   5   3 1917.40 747.280   8
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   8   5   4 33739.2 2726.51  11
   8  -5   4 42130.5 3280.55  11
   8   5   4 42955.0 3076.56   8
   8  -5   4 41931.1 3177.49   8
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   8   5   5 1644.99 791.850   8
   8  -5   5 2386.47 1063.43   8
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   8   6  -7-513.166 781.493   6
   8  -6  -7-593.856 908.012   6
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   8   6  -6 85709.3 4858.38   6
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   8   6  -6 84146.9 4391.59   5
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   8   6  -5 1251.22 892.071   6
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   8   6  -4 6768.29 1356.59   6
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   8  -6  -4 7555.92 1336.95  12
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   8   6  -4 6568.29 1205.92   5
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   8  -6  -2 39129.5 3280.39   6
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   8   6  -2 37231.9 2576.44   5
   8   6  -2 37594.8 2355.32   8
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   8  -6  -1 5866.32 1494.08   6
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   8   6   0 45019.2 3344.20  12
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   8   6   0 44165.4 2476.27  11
   8  -6   0 48052.6 3206.41  11
   8   6   0 48703.4 2702.91   5
   8   6   0 48525.0 2801.99   8
   8  -6   0 50334.4 2912.29   8
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   8   6   2 1171.30 836.034  12
   8   6   2 1459.68 671.054  11
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   8   6   2 795.814 669.309   8
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   8   6   3 3080.23 907.328  11
   8  -6   3 4458.61 1237.62  11
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   8   6   3 2135.94 893.724   8
   8  -6   3 3320.26 1024.18   8
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   8   6   4 31235.6 2573.59  11
   8  -6   4 28561.9 2747.16  11
   8   6   4 32876.5 2707.91   8
   8  -6   4 34352.6 2912.47   8
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   8   6   5 5397.13 1189.24  11
   8  -6   5 7015.45 1449.96  11
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   8   6   5 4759.42 1286.84   8
   8  -6   5 5639.02 1445.43   8
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   8   7  -7 2787.84 982.134   6
   8  -7  -7 6299.58 1676.38   6
   8   7  -7 4906.64 1472.26  12
   8  -7  -7 3289.43 1173.15  12
   8   7  -7 7064.24 1362.40   5
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   8   7  -6 23329.8 2533.37   6
   8  -7  -6 27071.3 3086.96   6
   8   7  -6 24842.6 2759.22  12
   8  -7  -6 23391.7 2572.97  12
   8   7  -6 25333.3 2443.06   5
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   8   7  -5 7462.63 1493.19   6
   8  -7  -5 5380.76 1413.45   6
   8   7  -5 4644.85 1503.31  12
   8  -7  -5 8811.68 1511.64  12
   8   7  -5 5318.76 1096.24   5
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   8   7  -4-574.057 788.166   6
   8  -7  -4 1876.23 1304.03   6
   8   7  -4 363.677 820.083  12
   8  -7  -4 1653.35 913.536  12
   8  -7  -4 448.687 524.076  11
   8   7  -4 792.615 644.226   5
   8   7  -4 232.409 463.071   8
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   8 -11  -5-870.648 1376.56   6
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   8 -15   4 19783.3 2436.44   9
   8 -15   4 18219.6 2367.64   7
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   8 -16   4 24855.6 2708.56   9
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   8 -17  -4-713.129 859.705  11
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   8 -17  -3 8874.88 1672.39   6
   8 -17  -3 9142.88 1753.26  11
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   8 -17  -2 6109.48 1565.66   6
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   8 -17  -2 6356.20 1513.24  11
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   8  17  -2 7693.77 1398.04   8
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   8 -17  -1 31211.2 3108.37   6
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   9   4   2 21033.8 2098.17  11
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   9   5  -4 2220.59 1133.32   6
   9  -5  -4 1421.33 995.685   6
   9   5  -4 1108.95 802.613  12
   9  -5  -4 2356.07 1074.09  12
   9   5  -4 988.278 649.104   5
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   9  -5  -3 742.697 1132.11   6
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   9  -5  -3 3065.45 1100.59  12
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   9   5  -3 864.569 730.557   5
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   9  -5  -2 23835.4 2885.10   6
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   9  -5  -2 21413.0 2184.34  11
   9   5  -2 20242.0 1979.56   5
   9   5  -2 23198.6 1959.26   8
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  -9  11  -1 332.394 674.584  13
   9  11   1-878.476 1043.12  12
   9 -11   1-464.028 822.102  11
   9  11   1-626.869 846.899   8
  -9 -11  -1-687.276 592.328   4
  -9  11  -1 1077.50 737.135   2
   9  11   2 40094.5 3799.59  12
  -9 -11  -3 3732.81 921.469   3
   9 -11   3 2020.17 1074.21   7
   9 -12  -4 22686.5 2531.23  11
   9  12  -4 18145.5 2160.13   5
   9  12  -4 23118.3 2090.58   8
  -9 -12   4 22551.8 2436.68  14
   9  12  -3 6896.33 1654.96  12
   9 -12  -3 6980.94 1486.56  11
   9  12  -3 5045.82 1253.82   5
   9  12  -3 6643.45 1223.24   8
  -9 -12   3 7115.01 1289.79   4
  -9 -12   3 5437.35 1291.41  14
   9 -12  -2 44678.1 3924.27   6
   9  12  -2 40257.9 3687.63  12
   9 -12  -2 47234.6 3601.90  11
   9  12  -2 35836.7 2872.56   5
   9  12  -2 36433.8 2752.80   8
  -9 -12   2 45866.3 3011.01   4
  -9 -12   2 40218.4 3173.92  14
  -9  12   2 38811.7 2750.71  13
  -9  12   1 3395.92 946.652  13
   9 -12  -1 7943.45 1908.45   6
   9  12  -1 6675.04 1752.79  12
   9 -12  -1 3569.82 1222.04  11
   9  12  -1 4166.62 1090.07   8
  -9 -12   1 4915.03 1065.77   4
  -9  12   1 4031.89 1008.80   2
  -9 -12   1 6590.12 1381.18  14
  -9  12   0 3442.65 943.926  13
   9  12   0 1768.00 845.674  12
   9 -12   0 4125.55 1241.94  11
   9  12   0 4182.96 1113.45   8
  -9 -12   0 2053.97 743.287   4
  -9 -12   0 2842.32 1188.67  14
  -9  12   0 4856.63 1176.48   2
  -9  12  -1-382.303 584.271  13
   9  12   1-507.687 846.428  12
  -9 -12  -1-627.918 642.191   4
  -9 -12  -1 1471.49 945.488  14
  -9  12  -1 1758.46 930.653   2
   9  12   2 25875.3 3171.33  12
   9 -13  -4 1193.23 859.379  11
   9  13  -4 1336.66 704.271   8
  -9 -13   4 2180.08 1039.61  14
   9 -13  -3 1313.14 1012.63  11
   9  13  -3 44.4473 708.763   5
   9  13  -3 1788.26 777.094   8
  -9 -13   3 1435.74 875.964  14
   9  13  -2 22149.4 2818.74  12
   9 -13  -2 16306.0 2212.48  11
   9  13  -2 16099.4 1971.27   5
   9  13  -2 17895.8 1969.80   8
  -9 -13   2 17042.4 1895.69   4
  -9 -13   2 18855.7 2282.93  14
  -9  13   1 79.3495 533.492  13
   9 -13  -1 648.457 1023.06   6
   9  13  -1 3002.70 1413.75  12
   9 -13  -1 1318.70 901.208  11
   9  13  -1 1050.85 711.209   8
  -9 -13   1 1752.56 748.466   4
  -9  13   1 907.593 713.710   2
  -9 -13   1 365.988 614.321  14
  -9  13   0 1731.14 864.870  13
   9  13   0-1277.53 1255.81  12
   9 -13   0-156.371 814.094  11
   9  13   0-785.004 674.620   8
  -9 -13   0 578.383 582.903   4
  -9 -13   0 212.092 709.889  14
  -9  13   0 582.727 706.936   2
  -9  13  -1-434.214 622.563  13
   9  13   1-513.885 873.087  12
  -9 -13  -1-831.357 666.316  14
  -9  13  -1-414.927 608.144   2
   9  13   2 15786.7 2524.92  12
   9 -14  -4 20957.6 2524.04  11
   9  14  -4 17024.2 1907.95   8
   9 -14  -3 7944.37 1573.51  11
   9  14  -3 7143.42 1405.57   5
   9  14  -3 6690.11 1275.84   8
  -9 -14   3 7620.83 1549.56  14
   9 -14  -2 27503.7 2885.02  11
   9  14  -2 23473.4 2394.99   5
  -9 -14   2 25664.1 2323.70   4
   9  14  -2 22569.6 2221.40   8
  -9 -14   2 26484.5 2697.00  14
  -9  14   1 6484.04 1212.20  13
   9  14  -1 6872.05 1267.72   8
  -9 -14   1 7265.31 1231.77   4
  -9  14   1 8152.95 1359.52   2
  -9 -14   1 11285.0 1829.27  14
  -9  14   0 3300.26 906.100  13
   9  14   0 962.123 1067.98  12
  -9 -14   0 1977.95 779.716   4
  -9 -14   0 1807.93 922.099  14
  -9  14   0 4116.96 1088.91   2
   9  14   1-371.328 1010.23  12
  -9 -14  -1-859.842 1005.69  14
   9  15  -4 818.760 750.864   8
   9  15  -2 10284.5 1671.03   5
  -9 -15   2 8590.87 1691.56  14
  -9  15   1 1259.60 636.657  13
  -9 -15   1 1591.91 745.325   4
  -9  15   1 2124.87 795.248   2
  -9 -15   1-735.834 777.161  14
  -9  15   0-182.250 524.565  13
  -9 -15   0-234.333 642.954   4
  -9 -15   0 233.684 880.074  14
  -9  15   0 288.543 750.676   2
  -9 -15  -1 967.425 690.966  14
   9  16  -2 17424.7 2177.62   5
  -9 -16   1 6332.68 1184.86   4
  -9  16   0 2538.29 889.001  13
  -9  16   0 1072.04 741.510   2
  10   0  -4 24966.9 2854.16  12
  10   0  -3-1155.31 782.024  12
  10   0  -1-869.395 593.073   8
  10   0   0 18112.4 2044.65  11
  10   0   0 17591.5 1978.31   8
  10   0   1-783.459 760.555  11
  10   0   1 1043.50 808.102   8
  10   1  -4 49494.2 3972.47  12
  10  -1  -4 49439.6 3888.19  12
  10   1  -3 335.143 835.337  12
  10   1  -1 1550.57 759.091   8
  10  -1   0 30872.8 2669.93  11
  10   1   0 29009.9 2490.25   8
  10  -1   0 25155.2 2332.15   8
  10   1   1 1229.48 689.134  11
  10  -1   1-1356.44 948.997  11
  10   1   1 1032.70 794.696   8
  10  -1   1 1754.77 925.302   8
  10   1   2 58406.4 3846.18  11
  10  -2  -4 32214.4 3140.64  12
  10   2  -4 30718.8 3226.72  12
  10   2  -3 530.773 820.488  12
  10   2  -1 128.886 532.807   8
  10  -2   0 13214.5 1829.48  11
  10   2   0 12419.2 1639.15   8
  10  -2   0 15348.9 1820.43   8
 -10  -2   0 14271.1 1758.59   4
  10   2   1 434.549 634.737  11
  10  -2   1-1796.40 960.293  11
  10   2   1-16.3071 655.698   8
  10  -2   1 324.842 592.153   8
 -10  -2  -1 548.435 683.628   4
  10   2   2 24419.9 2442.14  11
 -10  -2  -2 26169.2 2294.64   4
  10  -3  -5 1655.82 1119.85  12
  10   3  -4 27311.2 3056.95  12
  10   3  -3 106.879 792.986  12
  10   3  -2 204.321 841.964  12
  10   3  -2 1435.39 855.217   5
  10  -3  -1 795.977 836.738  11
  10   3  -1 1582.00 708.264   8
  10  -3   0 9404.06 1658.80  11
  10   3   0 7878.88 1354.51   8
  10  -3   0 6299.96 1274.12   8
 -10  -3   0 7029.23 1250.96   4
  10   3   1-209.166 564.412  11
  10  -3   1 759.805 778.702  11
  10   3   1 806.834 823.500   8
  10  -3   1 183.296 626.700   8
 -10  -3  -1-600.647 626.835   4
  10   3   2 28838.1 2628.98  11
 -10  -3  -2 32071.4 2517.56   4
  10  -4  -5 2745.32 1218.43  12
  10   4  -3 1302.19 1029.37  12
  10   4  -3 910.191 676.774   5
  10   4  -2 13355.7 2092.22  12
  10   4  -2 8073.95 1399.20   5
  10  -4  -1-86.8876 672.148  11
  10   4  -1-461.990 609.379   8
 -10   4   1 95.8324 682.221  13
  10  -4   0 13024.6 1918.23  11
  10   4   0 11098.3 1626.92   8
  10  -4   0 12720.9 1682.99   8
 -10  -4   0 15171.5 1802.49   4
  10  -4   1-15.0140 806.636  11
  10  -4   1 18.7165 651.143   8
 -10  -4  -1 955.098 677.815   4
  10   4   2 16607.3 1994.36  11
 -10  -4  -2 18546.3 1912.35   4
  10   5  -3-485.721 908.829  12
  10   5  -3 198.451 736.717   5
  10   5  -2 1335.56 975.277  12
  10   5  -2 763.925 714.616   5
 -10   5   1 97.5883 586.239  13
  10  -5  -1-1128.66 759.767  11
  10   5  -1-354.538 660.432   8
  10  -5   0 3483.13 1206.33  11
  10   5   0 1769.41 785.869   8
 -10  -5   0 3829.82 1002.02   4
  10  -5   1 2087.85 826.702   8
 -10  -5  -1 2296.34 777.298   4
  10   5   2 15004.4 1880.26  11
 -10  -5  -2 22504.1 2082.69   4
  10   6  -3 2068.93 1257.28  12
  10   6  -3 613.800 731.958   5
  10   6  -2 6358.92 1445.66  12
  10   6  -2 6825.96 1230.79   8
 -10   6   1 994.039 678.429  13
  10   6  -1 321.344 971.445  12
  10  -6  -1-966.058 878.353  11
  10   6  -1 862.766 681.039   8
  10  -6   0 14889.9 2037.76  11
  10   6   0 16221.0 1910.04   8
  10  -6   1-141.146 738.447   8
 -10  -6  -1 1977.45 810.849   4
 -10  -6  -2 12451.3 1587.21   4
  10   7  -3 5469.10 1231.55   5
  10   7  -2 1810.65 882.014  12
  10  -7  -2 5138.35 1327.36  11
  10   7  -2 3521.59 867.437   8
 -10   7   2 4168.17 1090.04  13
 -10   7   1 2849.52 899.297  13
  10   7  -1 4817.61 1577.14  12
  10  -7  -1 1896.10 918.009  11
  10   7  -1 3030.51 968.838   8
  10  -7   0 10469.3 1845.37  11
  10  -7   1 10886.3 1743.31   8
 -10  -7  -1 7783.83 1300.85   4
  10   8  -3 1710.63 880.495   5
 -10   8   2 6063.77 1242.63  13
  10   8  -2 7088.10 1766.40  12
  10  -8  -2 8171.87 1537.04  11
  10   8  -2 6902.99 1314.72   8
  10  -8  -1-343.842 716.457  11
  10   8  -1 227.563 625.909   8
  10  -8   1 1784.48 1014.52   8
 -10  -8  -1 535.373 608.791   4
 -10   9   2 7737.92 1311.71  13
  10  -9  -2 9893.56 1753.78  11
  10   9  -2 7547.46 1327.07   8
  10   9  -1 3247.21 1415.73  12
  10   9   0 25073.5 3020.21  12
 -10  10   2 2462.83 856.393  13
  10  10  -2 3785.69 1050.02   8
  10  10   0 12715.3 2320.53  12
   0   0   0    0.00    0.00   0
TITL Cognac in P2/c
REM P2/c (#13 in standard setting)
CELL 0.71073   7.347282  22.086034   8.506561  90.0000  96.4232  90.0000
ZERR    8.00   0.000125   0.000409   0.000157   0.0000   0.0016   0.0000
LATT  1
SYMM -x, y,-z+1/2
SFAC C H N Br Au
UNIT 40.00 88.00 8.00 24.00 8.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum              8878
_shelx_res_file
;
TITL Cognac in P2(1)/c
    shelx.res
    created by SHELXL-2018/3 at 10:30:16 on 17-Sep-2021
CELL 0.71073   7.347282  22.086034   8.506561  90.0000  96.4232  90.0000
ZERR    4.00   0.000250   0.000820   0.000340   0.0000   0.0032   0.0000
LATT  1
SYMM   -X, 0.5+Y, 0.5-Z
SFAC  C H Au Br Cl  N
UNIT    24  52  4  12  8  4
L.S. 8
FMAP 2
PLAN 10
SIZE 0.15 0.12 0.1
TEMP -173
ACTA 60
CONF
OMIT 1 1 1
OMIT 1 13 0
OMIT 1 5 1
OMIT -1 5 1
OMIT 0 13 1
OMIT -1 0 2
OMIT -2 7 2
EQIV $1 x, -y+1/2, z+1/2
EQIV $2 -x+1, y-1/2, -z+1/2
EQIV $3 x, -y+1/2, z-1/2
EQIV $4 x-1, y, z
EQIV $5 x+1, -y+1/2, z+1/2
EQIV $6 x-1, -y+1/2, z-1/2
EQIV $7 -x, -y+1, -z+1
HTAB N11 Br1_$1
HTAB C14 Br1_$2
HTAB C16 Br1_$3
HTAB C1 Br1_$4
HTAB C1 Br2_$4
HTAB C12 Cl1_$3
HTAB C15 Cl2_$5
RTAB DIST Au1 Br2_$3
RTAB DIST Au1 Br3_$1
RTAB DIST Br2 Au1_$1
RTAB ANGL Au1 Br2 Au1_$1
RTAB DIST Br2 Br3_$5
RTAB ANGL Au1 Br2 Br3_$5
RTAB DIST Br3 Au1_$3
RTAB ANGL Au1 Br3 Au1_$3
RTAB DIST Br3 Br2_$6
RTAB ANGL Au1 Br3 Br2_$6
RTAB DIST Cl1 Cl1_$7
RTAB ANGL C1 Cl1 Cl1_$7
WGHT    0.006100    2.136900
EXTI    0.000410
FVAR       1.62452
AU1   3    0.512766    0.244541    0.255548    11.00000    0.00905    0.00586 =
         0.00833    0.00005    0.00018   -0.00023
BR1   4    0.524184    0.353071    0.219903    11.00000    0.01637    0.00648 =
         0.01348    0.00047    0.00062    0.00051
BR2   4    0.790782    0.247413    0.438412    11.00000    0.01135    0.01168 =
         0.01346    0.00151   -0.00249   -0.00178
BR3   4    0.242992    0.241369    0.062995    11.00000    0.01223    0.01432 =
         0.01331    0.00090   -0.00310   -0.00090
N11   6    0.515226    0.150939    0.292812    11.00000    0.01652    0.00626 =
         0.00802   -0.00032   -0.00178    0.00125
H01   2    0.564390    0.146208    0.387883    11.00000    0.01019
C12   1    0.332747    0.120672    0.291933    11.00000    0.01862    0.01087 =
         0.02157   -0.00229    0.00819   -0.00498
AFIX  23
H12A  2    0.262660    0.125337    0.186272    11.00000   -1.20000
H12B  2    0.262625    0.140485    0.370457    11.00000   -1.20000
AFIX   0
C13   1    0.354784    0.054015    0.331019    11.00000    0.03184    0.01049 =
         0.02030   -0.00034    0.00676   -0.00549
AFIX  23
H13A  2    0.232656    0.034650    0.324584    11.00000   -1.20000
H13B  2    0.414508    0.049313    0.440558    11.00000   -1.20000
AFIX   0
C14   1    0.469690    0.022877    0.216964    11.00000    0.03756    0.00849 =
         0.01982   -0.00089    0.00371    0.00015
AFIX  23
H14A  2    0.488269   -0.020115    0.247579    11.00000   -1.20000
H14B  2    0.404673    0.024218    0.108612    11.00000   -1.20000
AFIX   0
C15   1    0.653125    0.053999    0.219442    11.00000    0.03138    0.00912 =
         0.02332   -0.00169    0.00420    0.00284
AFIX  23
H15A  2    0.724300    0.034610    0.141007    11.00000   -1.20000
H15B  2    0.722566    0.049134    0.325312    11.00000   -1.20000
AFIX   0
C16   1    0.630659    0.120903    0.181609    11.00000    0.02122    0.01041 =
         0.01622    0.00017    0.00382    0.00362
AFIX  23
H16A  2    0.752587    0.140470    0.189969    11.00000   -1.20000
H16B  2    0.572596    0.125882    0.071625    11.00000   -1.20000
AFIX   0
C1    1    0.024527    0.377927    0.260030    11.00000    0.01776    0.01470 =
         0.02394    0.00301    0.00609    0.00124
AFIX  23
H1A   2    0.145117    0.357439    0.273057    11.00000   -1.20000
H1B   2   -0.071860    0.346408    0.252639    11.00000   -1.20000
AFIX   0
CL1   5    0.003380    0.424622    0.426034    11.00000    0.03635    0.02851 =
         0.02318   -0.00211    0.00234    0.00238
CL2   5    0.003795    0.421221    0.085064    11.00000    0.04775    0.02815 =
         0.02391    0.00806    0.01175    0.00637
HKLF 4
REM  Cognac in P2(1)/c
REM wR2 = 0.0385, GooF = S = 1.150, Restrained GooF = 1.150 for all data
REM R1 = 0.0242 for 3658 Fo > 4sig(Fo) and 0.0317 for all 4139 data
REM 123 parameters refined using 0 restraints
END
WGHT      0.0061      2.1507
REM Highest difference peak  0.839,  deepest hole -0.833,  1-sigma level  0.180
Q1    1   0.5319  0.2425  0.3960  11.00000  0.05    0.84
Q2    1   0.4708  0.2986  0.2226  11.00000  0.05    0.83
Q3    1   0.6183  0.3507  0.1586  11.00000  0.05    0.79
Q4    1   0.4780  0.2674  0.1564  11.00000  0.05    0.79
Q5    1   0.5171  0.1923  0.2599  11.00000  0.05    0.78
Q6    1   0.5946  0.2386  0.1680  11.00000  0.05    0.76
Q7    1   0.4644  0.2354  0.1213  11.00000  0.05    0.73
Q8    1   0.4592  0.2371  0.3163  11.00000  0.05    0.72
Q9    1   0.0524  0.2273  0.2442  11.00000  0.05    0.72
Q10   1   0.4366  0.3792  0.1082  11.00000  0.05    0.71
;
_shelx_res_checksum              15851
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Au Au1 0.51277(2) 0.24454(2) 0.25555(2) 0.00781(4) Uani d 1 . .
Br Br1 0.52418(4) 0.35307(2) 0.21990(4) 0.01219(7) Uani d 1 . .
Br Br2 0.79078(4) 0.24741(2) 0.43841(4) 0.01246(7) Uani d 1 . .
Br Br3 0.24299(4) 0.24137(2) 0.06300(4) 0.01363(7) Uani d 1 . .
N N11 0.5152(4) 0.15094(13) 0.2928(3) 0.0105(6) Uani d 1 . .
H H01 0.564(5) 0.1462(17) 0.388(4) 0.010(9) Uiso d 1 . .
C C12 0.3327(5) 0.12067(16) 0.2919(4) 0.0166(7) Uani d 1 . .
H H12A 0.262660 0.125337 0.186272 0.020 Uiso calc 1 . .
H H12B 0.262625 0.140485 0.370457 0.020 Uiso calc 1 . .
C C13 0.3548(5) 0.05401(17) 0.3310(4) 0.0206(8) Uani d 1 . .
H H13A 0.232656 0.034650 0.324584 0.025 Uiso calc 1 . .
H H13B 0.414508 0.049313 0.440558 0.025 Uiso calc 1 . .
C C14 0.4697(5) 0.02288(17) 0.2170(4) 0.0219(8) Uani d 1 . .
H H14A 0.488269 -0.020115 0.247579 0.026 Uiso calc 1 . .
H H14B 0.404673 0.024218 0.108612 0.026 Uiso calc 1 . .
C C15 0.6531(5) 0.05400(17) 0.2194(4) 0.0212(8) Uani d 1 . .
H H15A 0.724300 0.034610 0.141007 0.025 Uiso calc 1 . .
H H15B 0.722566 0.049134 0.325312 0.025 Uiso calc 1 . .
C C16 0.6307(5) 0.12090(16) 0.1816(4) 0.0158(7) Uani d 1 . .
H H16A 0.752587 0.140470 0.189969 0.019 Uiso calc 1 . .
H H16B 0.572596 0.125882 0.071625 0.019 Uiso calc 1 . .
C C1 0.0245(5) 0.37793(17) 0.2600(4) 0.0185(7) Uani d 1 . .
H H1A 0.145117 0.357439 0.273057 0.022 Uiso calc 1 . .
H H1B -0.071860 0.346408 0.252639 0.022 Uiso calc 1 . .
Cl Cl1 0.00338(15) 0.42462(5) 0.42603(12) 0.0294(2) Uani d 1 . .
Cl Cl2 0.00380(16) 0.42122(5) 0.08506(12) 0.0327(2) Uani 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
Au1 0.00905(6) 0.00586(6) 0.00833(6) -0.00023(5) 0.00018(4) 0.00005(5)
Br1 0.01637(16) 0.00648(16) 0.01348(16) 0.00051(12) 0.00062(12) 0.00047(12)
Br2 0.01135(14) 0.01168(17) 0.01346(15) -0.00178(12) -0.00249(11) 0.00151(12)
Br3 0.01223(15) 0.01432(18) 0.01331(15) -0.00090(13) -0.00310(12) 0.00090(13)
N11 0.0165(14) 0.0063(14) 0.0080(13) 0.0013(11) -0.0018(11) -0.0003(10)
C12 0.0186(18) 0.0109(18) 0.0216(18) -0.0050(14) 0.0082(14) -0.0023(14)
C13 0.032(2) 0.0105(19) 0.0203(18) -0.0055(15) 0.0068(16) -0.0003(15)
C14 0.038(2) 0.0085(18) 0.0198(19) 0.0001(16) 0.0037(17) -0.0009(14)
C15 0.031(2) 0.0091(19) 0.0233(19) 0.0028(15) 0.0042(16) -0.0017(15)
C16 0.0212(18) 0.0104(18) 0.0162(17) 0.0036(14) 0.0038(14) 0.0002(14)
C1 0.0178(18) 0.0147(18) 0.0239(19) 0.0012(14) 0.0061(15) 0.0030(15)
Cl1 0.0363(6) 0.0285(6) 0.0232(5) 0.0024(4) 0.0023(4) -0.0021(4)
Cl2 0.0477(7) 0.0282(6) 0.0239(5) 0.0064(5) 0.0118(5) 0.0081(4)
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
N11 Au1 Br1 . . 177.24(8) y
N11 Au1 Br2 . . 86.35(8) y
Br1 Au1 Br2 . . 90.913(12) y
N11 Au1 Br3 . . 93.80(8) y
Br1 Au1 Br3 . . 88.920(12) y
Br2 Au1 Br3 . . 177.454(13) y
C16 N11 C12 . . 111.7(3) y
C16 N11 Au1 . . 109.8(2) ?
C12 N11 Au1 . . 116.6(2) ?
N11 C12 C13 . . 111.1(3) ?
C12 C13 C14 . . 110.7(3) ?
C15 C14 C13 . . 110.1(3) ?
C14 C15 C16 . . 111.4(3) ?
N11 C16 C15 . . 110.7(3) ?
Cl2 C1 Cl1 . . 110.5(2) ?
C16 N11 H01 . . 110(2) ?
C12 N11 H01 . . 104(2) ?
Au1 N11 H01 . . 105(3) ?
N11 C12 H12A . . 109.4 ?
C13 C12 H12A . . 109.4 ?
N11 C12 H12B . . 109.4 ?
C13 C12 H12B . . 109.4 ?
H12A C12 H12B . . 108.0 ?
C12 C13 H13A . . 109.5 ?
C14 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
C14 C13 H13B . . 109.5 ?
H13A C13 H13B . . 108.1 ?
C15 C14 H14A . . 109.6 ?
C13 C14 H14A . . 109.6 ?
C15 C14 H14B . . 109.6 ?
C13 C14 H14B . . 109.6 ?
H14A C14 H14B . . 108.2 ?
C14 C15 H15A . . 109.4 ?
C16 C15 H15A . . 109.4 ?
C14 C15 H15B . . 109.4 ?
C16 C15 H15B . . 109.4 ?
H15A C15 H15B . . 108.0 ?
N11 C16 H16A . . 109.5 ?
C15 C16 H16A . . 109.5 ?
N11 C16 H16B . . 109.5 ?
C15 C16 H16B . . 109.5 ?
H16A C16 H16B . . 108.1 ?
Cl2 C1 H1A . . 109.5 ?
Cl1 C1 H1A . . 109.5 ?
Cl2 C1 H1B . . 109.5 ?
Cl1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 108.1 ?
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
Au1 N11 . 2.091(3) y
Au1 Br1 . 2.4187(4) y
Au1 Br2 . 2.4260(3) y
Au1 Br3 . 2.4270(3) y
N11 C16 . 1.495(4) y
N11 C12 . 1.497(4) y
C12 C13 . 1.514(5) ?
C13 C14 . 1.520(5) ?
C14 C15 . 1.511(5) ?
C15 C16 . 1.517(5) ?
C1 Cl2 . 1.761(4) ?
C1 Cl1 . 1.769(4) ?
N11 H01 . 0.85(4) ?
C12 H12A . 0.9900 ?
C12 H12B . 0.9900 ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C14 H14A . 0.9900 ?
C14 H14B . 0.9900 ?
C15 H15A . 0.9900 ?
C15 H15B . 0.9900 ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N11 H01 Br1 4_566 0.85(4) 2.87(4) 3.627(3) 148(3) yes
C14 H14A Br1 2_645 0.99 2.82 3.788(4) 167.0 yes
C16 H16B Br1 4_565 0.99 3.01 3.960(3) 161.3 ?
C1 H1B Br1 1_455 0.99 2.95 3.695(4) 132.5 ?
C1 H1B Br2 1_455 0.99 2.94 3.761(4) 140.8 ?
C12 H12A Cl1 4_565 0.99 2.97 3.855(4) 149.8 ?
C15 H15B Cl2 4_666 0.99 2.93 3.849(4) 155.7 ?
C1 H1A Br1 . 0.99 2.87 3.765(4) 150.3 yes
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
C16 N11 C12 C13 . . . . 56.4(4) ?
Au1 N11 C12 C13 . . . . -176.2(2) y
N11 C12 C13 C14 . . . . -56.4(4) ?
C12 C13 C14 C15 . . . . 56.3(4) ?
C13 C14 C15 C16 . . . . -56.3(4) ?
C12 N11 C16 C15 . . . . -55.8(4) ?
Au1 N11 C16 C15 . . . . 173.2(2) y
C14 C15 C16 N11 . . . . 56.0(4) ?

_cod_database_fobs_code 2022914