#------------------------------------------------------------------------------
#$Date: 2025-02-05 05:03:59 +0200 (Wed, 05 Feb 2025) $
#$Revision: 297594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/33/2023375.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_2023375
loop_
_publ_author_name
'Upmann, Daniel'
'Jones, Peter G.'
_publ_section_title
;
 Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R
 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX
 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenylphosphonium
 derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product
;
_journal_coeditor_code           YZ2063
_journal_issue                   3
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989025000805
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          '[Pd Br2 (C11 H25 P1 S1)2]'
_chemical_formula_moiety         'C22 H50 Br2 P2 Pd S2'
_chemical_formula_sum            'C22 H50 Br2 P2 Pd S2'
_chemical_formula_weight         706.90
_chemical_name_systematic
;
Dibromido(di-<i>tert</i>-butylisopropylphosphine
sulfide-\k<i>S</i>)palladium(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL2019/3
_cell_angle_alpha                90
_cell_angle_beta                 94.551(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8595(3)
_cell_length_b                   17.5019(6)
_cell_length_c                   10.6740(3)
_cell_measurement_reflns_used    9329
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.7809
_cell_measurement_theta_min      2.2355
_cell_volume                     1463.65(9)
_computing_cell_refinement
;
CrysAlisPro, Version 1.171.35.21 (Rigaku OD, 2012)
;
_computing_data_collection
;
CrysAlisPro, Version 1.171.35.21 (Rigaku OD, 2012)
;
_computing_data_reduction
;
CrysAlisPro, Version 1.171.35.21 (Rigaku OD, 2012)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            45160
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         30.850
_diffrn_reflns_theta_min         2.240
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.625
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2012)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.023
_refine_diff_density_min         -0.700
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         4422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0392
_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^)+(0.0106P)^2^+2.7056P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                3832
_reflns_number_total             4422
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yz2063.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2023375
_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   0.531
_shelx_estimated_absorpt_t_max   0.840
_shelx_hkl_file
;
   0   0  -2 29437.0 659.314  16
   0   0   2 29055.4 652.797  13
   0   0   2 29348.9 665.583   3
   0   0  -2 31178.5 665.280  13
   0   0  -2 30331.4 691.503   8
   0   0   2 30158.1 612.892   4
   0   0  -2 30972.4 579.875  14
   0   0  -2 29599.7 675.794   3
   0   0   2 29643.5 656.209  16
   0   0  -2 29062.6 605.253   4
   0   0  -2 30479.2 659.927   5
   0   0   2 29810.8 675.378   9
   0   0   2 29745.5 583.643  14
   0   0   2 29731.9 694.921   8
   0   0  -3-65.7432 143.280   5
   0   0   3 31.3698 158.880   8
   0   0   3 34.4871 91.9441  14
   0   0   3 53.2036 168.464   9
   0   0  -3 114.658 127.069  13
   0   0   3 21.3802 152.017  13
   0   0  -3 309.533 215.756   8
   0   0  -3-18.9786 140.652  16
   0   0   3-313.386 169.153   3
   0   0   3-32.9642 99.5811   4
   0   0  -3-49.2260 124.078   4
   0   0  -3 55.1661 110.502  14
   0   0   3 188.705 133.958  16
   0   0  -4 52758.9 1275.87   3
   0   0  -4 54710.5 1308.82   8
   0   0  -4 54589.7 1251.18  16
   0   0  -4 53661.9 1142.00   4
   0   0   4 55342.8 1087.03  14
   0   0   4 56010.5 1287.23   9
   0   0  -5 19.7056 197.806  16
   0   0  -5-47.2373 161.730   4
   0   0   5 22.4243 106.170  14
   0   0  -5-174.109 283.520   3
   0   0   5 110.610 202.857   9
   0   0  -6 7706.26 548.421   3
   0   0   6 7368.29 530.091   9
   0   0  -6 7002.63 426.770   4
   0   0  -6 7858.95 524.494  16
   0   0   7 325.360 263.669   9
   0   0  -7-139.904 199.106   4
   0   0  -7-81.1358 342.584   3
   0   0  -7-122.612 279.679  16
   0   0   8 1802.61 248.797   2
   0   0  -8 1767.18 382.437  16
   0   0  -8 1401.78 277.364   4
   0   0   8 1583.84 394.311   9
   0   0  -8 1715.96 422.242   3
   0   0  -9-149.741 399.190   3
   0   0  -9-109.633 324.333  16
   0   0   9 41.9230 311.142   9
   0   0  -9 22.0071 234.430   4
   0   0   9 152.518 169.828   2
   0   0 -10 37378.2 1567.05   3
   0   0 -10 38293.9 1327.29   4
   0   0  10 38585.6 1536.98   9
   0   0 -10 37097.7 1495.20  16
   0   0  10 40989.8 1190.43   2
   0   0  11 551.825 391.504   9
   0   0 -11-154.263 312.182  16
   0   0 -11 86.9951 255.217   4
   0   0 -11 483.812 412.591   3
   0   0 -12 3591.70 462.784   4
   0   0 -12 3770.09 593.713  16
   0   0  12 5372.26 676.451  12
   0   0  12 4592.12 673.495  11
   0   0 -12 2067.72 555.575   3
   0   0  12 4495.62 640.528   9
   0   0 -13 95.6187 439.999   3
   0   0  13 366.012 407.013  11
   0   0  13 349.490 324.220   9
   0   0 -13 117.390 342.465  16
   0   0  13 643.301 388.882  12
   0   0  14 831.641 423.175   9
   0   0  14 259.060 392.878  11
   0   0 -14 387.258 447.357   3
   0   0 -14 253.449 406.653  16
   0   0  14 119.488 357.970  12
   0   0 -15 1051.43 558.396   3
   0   1  -1 78770.4 1244.46  13
   0  -1  -1 78440.3 1247.90  16
   0  -1   1 79522.4 1222.93   9
   0  -1   1 80925.5 1264.67   8
   0   1  -1 79054.0 1242.38  16
   0  -1   1 79945.1 1238.11   4
   0  -1  -1 79584.6 1245.86  10
   0  -1  -2 66.4138 82.5113   4
   0   1  -2 37.7073 96.5646   4
   0   1  -2 38.3706 101.818   5
   0   1   2 109.738 78.7712   4
   0  -1   2 3.66055 115.915  13
   0   1  -2 168.879 113.103   3
   0   1  -2 57.7726 94.3428   9
   0  -1   2 53.8811 87.6765   3
   0   1   2 204.043 132.161   3
   0  -1   2 78.7822 95.7721   8
   0  -1   2 331.022 121.636   9
   0   1   2 146.721 88.0907  16
   0   1   2 152.305 69.6498   2
   0  -1   2 167.866 79.4314  14
   0  -1  -2-75.3868 163.593   3
   0   1  -2 157.507 139.179   8
   0   1  -2 118.574 93.6577  13
   0  -1   2-17.8558 118.875   5
   0   1  -2 88.2728 80.7869  14
   0   1  -2 67.6953 101.049  16
   0  -1   2 144.268 93.0877   4
   0   1   2 186.431 90.3939  10
   0  -1   2 33.8735 88.0430  16
   0  -1  -2 192.889 102.582  16
   0   1   2 117.036 108.663   8
   0   1   3 14720.2 404.902   2
   0   1   3 15181.3 535.109   8
   0   1   3 14590.5 489.655  10
   0  -1   3 15657.5 470.374   4
   0   1   3 14364.3 527.046   3
   0   1   3 14182.7 414.313  14
   0  -1   3 15074.2 480.482   3
   0   1  -3 14977.3 563.577   8
   0  -1   3 13718.3 500.555   5
   0   1  -3 15250.4 475.366   4
   0   1   3 15230.6 552.854   9
   0   1  -3 14447.6 425.197  14
   0  -1  -3 13869.3 551.390   3
   0   1  -3 14891.0 508.450   3
   0  -1  -3 15494.9 505.205  13
   0  -1   3 14216.0 504.001   9
   0  -1   3 15044.8 499.535  16
   0   1  -3 14635.4 507.220   9
   0  -1  -3 14655.9 511.024  16
   0  -1   3 14693.3 428.217  14
   0   1   3 14204.4 437.426   4
   0   1  -3 14205.6 496.673   5
   0   1  -3 15313.1 503.752  13
   0  -1  -3 14979.2 452.291   4
   0   1  -3 14197.5 501.935  16
   0  -1   3 14893.7 508.233  13
   0   1   3 14599.8 498.172  16
   0  -1   3 14501.7 531.519   8
   0  -1   4 4396.81 337.838   5
   0   1  -4 4871.47 303.676   4
   0   1  -4 4333.51 338.614   3
   0   1   4 4908.80 254.874  14
   0   1  -4 4896.51 386.388   8
   0   1   4 4278.44 264.534   4
   0  -1   4 4904.17 343.231  13
   0  -1  -4 3977.40 326.106  16
   0   1  -4 4391.21 257.643  14
   0  -1  -4 4233.99 376.589   3
   0  -1  -4 4783.01 297.432   4
   0   1   4 4491.28 242.072   2
   0  -1   4 4782.11 265.540  14
   0   1   4 4378.52 344.540   9
   0   1  -4 4226.95 322.204  16
   0  -1   4 4545.80 338.420   9
   0  -1   5 96533.9 1972.89  13
   0   1  -5 91488.4 1541.27  17
   0   1   5 98640.9 1752.14  14
   0   1  -5 98231.6 1768.18  14
   0   1  -5 96490.1 2003.82   3
   0  -1  -5 95777.5 1988.38  16
   0   1  -5 96493.5 2079.41   8
   0   1   5 96645.3 1720.68   2
   0   1  -5 95965.4 1973.61  16
   0  -1   5 97537.9 2003.43   9
   0  -1  -5 97093.1 1832.08   4
   0  -1  -5 94609.9 2074.71   3
   0   1   5 98442.6 2057.42   9
   0   1  -5 96632.4 1860.76   4
   0  -1  -6 1859.44 370.900   3
   0   1   6 1570.29 200.362   2
   0  -1  -6 1664.01 238.551   4
   0   1  -6 2080.44 231.381  14
   0  -1   6 1899.24 116.016  15
   0   1  -6 1780.11 131.699  17
   0   1   6 1602.51 315.082   9
   0   1  -6 1260.78 232.711   4
   0   1  -6 1635.64 321.595  16
   0  -1   6 1905.73 315.160   9
   0  -1  -6 1591.55 320.160  16
   0   1  -6 1346.20 271.587   3
   0  -1  -7 3154.84 331.561   4
   0  -1  -7 2528.09 435.453   3
   0   1  -7 2504.19 313.282   4
   0  -1   7 2362.78 108.985  15
   0   1   7 2963.41 266.185   2
   0   1  -7 2527.93 135.079  17
   0   1  -7 2002.63 372.750   3
   0   1  -7 3151.54 405.994  16
   0  -1  -7 3099.78 411.996  16
   0  -1   7 2686.92 388.401   9
   0   1   7 2709.54 392.549   9
   0   1  -8 242.658 317.709  16
   0  -1   8 252.931 279.475   9
   0  -1  -8 133.447 202.356   4
   0  -1  -8 168.962 284.023  16
   0  -1  -8 292.459 381.449   3
   0   1  -8 98.0168 333.105   3
   0   1   8 146.548 317.362   9
   0  -1   8 106.991 89.2409   6
   0   1  -8 279.252 209.648   4
   0   1   8 93.2942 146.991   2
   0  -1  -9 13775.1 860.618  16
   0   1   9 12667.5 860.973   9
   0  -1  -9 13698.6 729.702   4
   0  -1  -9 13056.1 912.105   3
   0   1  -9 14853.9 899.355  16
   0   1  -9 14643.3 908.993   3
   0   1   9 14361.6 634.811   2
   0   1  -9 14893.4 761.960   4
   0  -1   9 14489.8 872.577   9
   0   1 -10-81.6642 230.908   4
   0   1 -10 474.026 351.188   3
   0   1  10 400.799 332.109   9
   0  -1  10 563.560 358.989   9
   0   1  10 255.519 166.684   2
   0  -1 -10-42.7326 365.027   3
   0  -1 -10 54.8323 327.212  16
   0  -1 -10 222.570 233.089   4
   0   1 -10 195.965 309.419  16
   0  -1  10 289.014 177.584   2
   0  -1  11 23852.1 1242.90   9
   0  -1 -11 21835.5 1220.17  16
   0  -1 -11 22636.6 1321.88   3
   0   1  11 23503.9 1257.57   9
   0   1 -11 22677.2 1057.95   4
   0   1 -11 23211.9 1220.72  16
   0   1 -11 22360.8 1266.29   3
   0   1  11 22582.8 1228.06  12
   0  -1  12 1723.27 445.297   9
   0   1  12 1344.89 458.189  12
   0   1 -12 1781.97 495.715  16
   0  -1 -12 953.902 412.242  16
   0   1  12 1431.50 441.489   9
   0   1 -12 1710.75 371.250   4
   0   1 -12 711.471 460.332   3
   0  -1  12 2175.44 495.895  12
   0  -1 -12 1448.87 515.892   3
   0   1  12 1917.33 511.578  11
   0  -1  12 1697.05 511.498  11
   0  -1  13 904.015 442.860  12
   0   1 -13 1244.77 500.831   3
   0  -1  13 361.157 344.710   9
   0   1 -13 511.576 268.562   4
   0   1 -13 849.310 451.605  16
   0   1  13 1029.98 457.316   9
   0   1  13 1725.87 535.962  12
   0   1  13 875.351 427.288  11
   0  -1  13 938.313 483.459  11
   0  -1 -13-271.478 448.243   3
   0  -1 -13 886.345 410.849  16
   0   1 -14 4117.54 727.991   3
   0   1  14 3382.42 636.760  12
   0  -1  14 4056.60 614.801   9
   0   1 -14 4048.31 695.908  16
   0   1  14 3149.03 636.897   9
   0  -1  14 3265.21 621.461  11
   0  -1  14 4474.95 685.846  12
   0   1  14 3151.36 619.693  11
   0  -1 -14 2341.48 586.990   3
   0  -1 -14 2844.01 560.543  16
   0   1 -15 5387.75 814.038   3
   0   2   0 71524.2 1126.12   5
   0  -2   0 72215.0 1143.76  10
   0  -2   0 72887.4 1143.97  18
   0  -2   0 71273.0 1160.34   2
   0  -2   1 17511.4 360.448   6
   0   2  -1 17292.1 407.986  14
   0   2  -1 17607.6 353.729   6
   0   2  -1 16916.1 408.131   5
   0   2  -1 16648.3 402.184  13
   0   2  -1 16985.3 359.869   9
   0   2   1 17071.6 385.109   2
   0  -2   1 16416.2 407.728   4
   0  -2   1 17210.3 357.451   9
   0  -2  -1 16807.3 409.559  16
   0  -2  -1 16752.8 382.972   2
   0   2  -1 16910.6 411.653   4
   0  -2   1 16735.1 402.656  13
   0   2   1 16462.1 406.353  10
   0   2   1 17326.1 450.332   3
   0   2   1 16520.3 409.432  16
   0  -2   1 17626.3 409.400  14
   0  -2   1 17539.7 411.161   5
   0  -2  -1 17034.1 410.477  10
   0  -2  -1 17041.0 445.568   3
   0  -2  -1 16677.7 393.210  12
   0   2   1 16596.5 386.650  12
   0  -2  -2 16929.5 487.014  10
   0  -2   2 17707.1 505.552   5
   0   2  -2 17244.4 454.436  14
   0  -2  -2 16938.8 556.280   3
   0   2   2 16917.8 492.200  12
   0   2   2 17370.2 420.114   2
   0  -2  -2 16756.7 421.239   2
   0  -2   2 17953.9 481.483   4
   0   2  -2 17056.8 459.729   9
   0  -2   2 17683.2 483.479  16
   0  -2  -2 16761.1 491.749  16
   0   2   2 17188.0 486.995  10
   0   2  -2 17678.7 499.973   5
   0   2  -2 17296.3 426.906   3
   0   2  -2 18221.7 515.042   8
   0   2   2 18086.2 553.040   3
   0   2  -2 18169.6 488.035  13
   0  -2   2 17586.9 457.034  14
   0   2  -2 17674.3 343.490   6
   0  -2   2 18202.7 497.969  13
   0   2  -2 17203.0 477.421   4
   0   2   2 17397.8 492.256  16
   0  -2   2 18007.8 506.990   8
   0  -2   2 17650.8 421.419   3
   0  -2   2 17028.6 462.545   9
   0  -2   2 17483.8 351.610   6
   0   2  -3 16016.4 496.568   3
   0   2  -3 16405.5 543.430  16
   0   2   3 16380.4 530.443  10
   0  -2   3 15657.9 338.861   6
   0   2  -3 16251.1 524.822   9
   0  -2  -3 16149.8 548.083  16
   0  -2   3 16044.9 476.573  14
   0  -2   3 15972.4 477.146   3
   0   2   3 15782.5 443.512   2
   0  -2  -3 15953.9 436.192   2
   0  -2   3 16220.4 523.166   9
   0  -2   3 17424.5 559.009  13
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   1  -2   0 62601.3 1055.93  13
   1  -2   0 64581.0 1110.45   5
  -1  -2  -1 112339. 1870.22  10
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  -1   2  -1 116879. 1884.39  17
   1  -2   1 117713. 1861.58   6
  -1  -2  -1 115084. 1833.41  15
  -1   2  -1 112166. 1845.16   6
   1  -2   1 120315. 1881.87   4
   1  -2   1 120770. 1902.71  17
   1  -2   1 117088. 1899.88  14
   1  -2   1 116778. 1757.22   1
   1   2   1 116867. 1952.10   3
  -1  -2  -1 115255. 1890.86   2
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  -1   2  -1 116030. 1878.60   5
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  -1   2  -1 119229. 1751.48   1
   1  -2   1 111962. 1867.40   5
  -1   2  -1 116649. 1876.95   4
   1   2   1 119047. 1890.52   2
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   1   2   1 118171. 1770.08  16
   1   2   1 118371. 1877.26  10
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   1   2   2 27320.5 687.429   4
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   1   2   2 27722.7 645.198  16
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   1  -2   2 28406.1 701.226   4
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   1   2   2 27743.7 683.223   2
   1   2   2 28906.4 701.990  10
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   1   2   3 1659.92 194.666   2
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   1   2   3 1714.39 189.008  16
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   1  -2   4 58034.4 1134.19   6
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   1   2   4 58670.5 1252.13   2
   1   2   4 59282.9 948.747  17
   1  -2   5 57417.4 1416.33  13
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   1  -2   5 58940.8 1399.04   9
   1   2   5 57280.6 1289.54   2
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   1   2   6 20550.4 723.536   2
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   1  -2   7 2935.05 395.191  13
   1  -2   7 3754.10 421.513   9
   1   2   7 2938.77 310.311   2
   1  -2   7 2459.06 377.011   5
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   1   2   7 3665.70 475.233   9
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   1  -2   8 2181.29 153.982  15
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   1   2   8 2706.42 323.923   2
   1   2   8 2226.34 439.086   9
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   1  -2   8 2707.40 407.155   9
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   1  -2   9 5422.61 571.545   9
   1   2   9 4638.01 416.572   2
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   1   2   9 4650.22 569.919   9
  -1  -2 -10 5177.56 683.882   3
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   1   2  10 5469.25 451.934   2
   1   2  10 5043.20 626.289   9
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   1  -2  10 5402.94 574.740   9
   1  -2  11 15291.1 811.771   2
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   1  -2  11 14557.9 968.123   9
  -1  -2 -11 14281.5 984.277  16
   1   2  11 15362.9 790.478   2
   1   2  11 14914.8 1032.53   9
   1  -2  12 1211.44 422.824   9
   1   2  12 1340.35 454.216  12
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   1   2  12 2657.66 558.165   9
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   1  -2  13 472.259 363.617   9
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   1   2  13 506.699 397.394   9
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   1   2  13 1193.58 453.783  12
   1   2  14 5391.16 751.936   9
  -1   2 -14 4878.83 611.540   4
   1  -2  14 5620.29 705.635   9
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   1   3 -15 2475.89 654.277   3
   1  -3 -14 2808.74 599.591  16
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  -1   3  14 1501.45 497.047  12
   1   3 -14 3284.71 672.691   3
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  -1   3  14 2255.18 581.586   9
   1  -3 -14 3614.63 746.466   3
  -1   3  14 2793.48 588.495  11
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  -1   3  13 2170.67 572.613  11
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  -1  -3  13 3890.28 636.470  12
   1  -3 -13 1738.10 511.529  16
   1  -3 -13 3573.13 691.761   3
  -1   3  13 2651.91 584.235   9
  -1  -3  13 2462.39 553.693  11
  -1   3  13 2746.26 547.684  12
   1   3 -13 3426.49 619.258  16
   1   3 -13 2764.55 576.671   3
  -1  -3  12 2443.70 533.293  11
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   1   3 -12 2464.23 391.350   4
   1   3 -12 1898.64 466.492  16
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   1  -3 -12 2206.09 611.731   3
  -1  -3  12 2731.09 533.948  12
   1  -3 -12 2945.57 539.763  16
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  -1   3  12 2580.48 559.625  11
   1   3 -12 1810.72 429.055   3
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  -1   3  11 5338.01 682.119  11
  -1  -3  11 4646.89 621.012  11
   1   3 -11 3774.12 442.544   4
   1  -3 -11 4841.55 707.617   3
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  -1   3  11 5284.36 656.282  12
   1  -3 -11 5169.25 647.094  16
   1   3 -11 4033.23 592.462   3
   1   3 -11 4952.97 623.543  16
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  -1  -3  10 3335.99 474.028   9
   1  -3 -10 3267.48 542.135  16
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   1   3 -10 2704.03 451.225   3
  -1   3  10 3510.28 557.804  11
   1   3 -10 3635.88 619.383   8
   1  -3 -10 3051.26 574.717   3
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   1   3 -10 3448.86 402.534   4
   1   3 -10 3224.23 507.736  16
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  -1   3   9 3606.45 543.117   9
   1   3  -9 4923.28 559.623  16
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   1  -3  -9 3844.70 613.549   3
  -1   3   9 3950.49 580.540  11
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   1   3  -9 3742.68 583.916   8
  -1   3   9 4070.77 285.840   2
   1   3  -9 4280.19 542.564   3
   1   3  -9 3984.35 413.828   4
  -1  -3   9 2978.46 497.405  11
   1   3  -9 4382.95 301.296  17
   1  -3  -9 4309.72 543.542  16
   1   3  -8 7645.08 510.886   4
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   1  -3  -8 6439.80 672.576   3
  -1  -3   8 8378.62 368.660  15
   1   3  -8 7236.46 686.648   8
  -1   3   8 6721.69 659.912  11
  -1   3   8 7873.47 676.299   9
   1   3  -8 7790.89 618.626  16
   1  -3  -8 7939.67 664.383  16
  -1  -3   8 7013.23 578.190  13
   1   3  -8 8127.00 640.454   3
   1   3  -8 7887.41 434.300  14
  -1   3   8 7441.15 625.844  12
  -1   3   8 7901.30 471.658   6
  -1  -3   7 5593.00 478.715   9
   1   3  -7 5876.52 423.278   4
  -1   3   7 5402.39 540.323   9
  -1   3   7 5818.54 402.131   6
   1   3  -7 6164.21 512.095   3
  -1  -3   7 6026.11 327.153  15
   1   3  -7 5488.11 556.012   8
   1  -3  -7 5377.35 520.505  16
  -1  -3   7 5556.11 478.684  13
   1   3  -7 6344.45 370.080  14
  -1  -3   7 5784.27 536.661  11
   1   3  -7 5901.86 511.090  16
   1  -3  -7 4562.15 536.478   3
  -1   3   7 5478.73 525.320  12
  -1   3   7 5865.78 569.761  11
  -1   3   7 6344.19 304.811   2
   1   3  -6 16927.7 652.465   4
   1  -3  -6 17413.5 871.912   3
   1   3  -6 16869.4 825.268   8
  -1   3   6 17352.4 489.127   2
  -1  -3   6 13900.9 724.734  11
  -1   3   6 15648.2 787.145   9
   1  -3  -6 15973.3 768.194  16
   1   3  -6 16946.7 565.532  14
  -1   3   6 15982.3 805.140  11
   1   3  -6 16339.2 740.447  16
   1   3  -6 17637.7 746.019   3
   1  -3  -6 15440.9 363.592  15
  -1   3   6 15420.0 761.071  12
  -1   3   6 15084.7 605.129   6
  -1  -3   6 17668.8 764.678   9
  -1  -3   6 16302.1 539.804  15
  -1  -3   6 16440.7 733.883  13
  -1   3   6 17438.1 519.370  14
   1  -3  -5 5787.84 238.852  17
  -1   3   5 6161.83 462.382  12
   1  -3  -5 6119.20 230.559  15
  -1   3   5 5894.08 464.555  11
  -1   3   5 6100.96 307.392   4
  -1  -3   5 6318.99 440.252   9
  -1   3   5 5523.62 358.886   6
   1   3  -5 6284.34 494.952   8
   1   3  -5 6361.74 322.077  14
  -1   3   5 6086.04 475.863   9
  -1  -3   5 5700.94 416.179  13
   1   3  -5 6248.73 415.297  16
   1   3  -5 5962.40 364.690   4
   1   3  -5 6172.29 411.856   3
  -1  -3   5 5638.31 429.067  11
   1  -3  -5 5792.19 438.245  16
   1  -3  -5 6153.13 508.623   3
  -1  -3   5 6449.66 317.728  14
  -1   3   5 6127.33 258.698   2
   1  -3  -4 52625.9 979.564  15
  -1   3   4 52224.2 1317.29  11
  -1  -3   4 52905.6 1251.09  11
  -1   3   4 54779.0 970.294  17
   1  -3  -4 52969.7 1244.12   8
   1   3  -4 54350.0 1338.61   8
   1  -3  -4 54114.1 1297.35  16
  -1  -3   4 56149.9 1093.31  14
  -1   3   4 52608.3 1290.71  12
   1  -3  -4 54965.4 1005.37  17
  -1  -3   4 54266.6 1238.02  13
   1   3  -4 52723.5 1149.91   4
   1   3  -4 54084.8 1074.75  14
   1   3  -4 51390.3 1110.10   1
   1  -3  -4 52448.8 1358.26   3
   1   3  -4 55026.7 1217.96   3
  -1  -3   4 55915.6 1262.81   9
   1  -3  -4 53520.7 950.759   2
  -1   3   4 55770.0 1047.52   4
  -1   3   4 51088.9 1167.39   6
  -1  -3   4 53289.6 1276.56   5
  -1   3   4 54223.8 959.944   2
   1   3  -4 53630.3 1228.56  16
  -1   3   4 52288.9 1313.53   9
   1   3  -3 124672. 2085.88   4
  -1  -3   3 121166. 2171.35   5
   1   3  -3 125965. 2123.17  13
  -1  -3   3 123478. 2133.61  11
  -1   3   3 125635. 2107.92  10
  -1  -3   3 125964. 2139.31  13
  -1   3   3 125611. 1970.03  17
   1  -3  -3 124504. 2216.69  16
   1  -3  -3 123218. 2113.70  10
  -1   3   3 122513. 2222.17  11
   1  -3  -3 124484. 2124.46   8
   1   3  -3 126449. 2033.70   1
   1  -3  -3 120143. 2263.00   3
  -1  -3   3 124349. 2156.40  18
  -1   3   3 122580. 2210.28  12
   1  -3  -3 122876. 1888.94   2
  -1  -3   3 122291. 2118.04  16
   1  -3  -3 125472. 2000.54  17
  -1   3   3 125070. 2126.82   8
  -1  -3   3 125319. 2170.42   9
   1   3  -3 123965. 2121.61  16
   1   3  -3 126455. 2121.89   3
   1   3  -3 124095. 2017.97  14
  -1   3   3 122704. 2144.66   6
  -1  -3   3 127695. 2036.70  14
  -1   3   3 117549. 2203.75   9
  -1   3   3 126384. 1898.82   2
  -1   3   2 1892.04 215.092   6
  -1   3   2 2062.45 174.344  17
   1   3  -2 2228.33 201.769   5
  -1  -3   2 2154.71 170.779  11
   1  -3  -2 2100.58 228.345  16
  -1   3   2 1601.92 190.634   3
   1  -3  -2 2249.94 213.743   6
  -1  -3   2 2283.16 186.421   2
  -1   3   2 1993.29 163.965  10
   1  -3  -2 2119.22 252.189   3
  -1  -3   2 1948.12 163.934  16
   1   3  -2 2164.47 159.780   1
   1  -3  -2 2165.67 177.311  10
   1  -3  -2 2338.76 140.003   2
   1   3  -2 2175.14 189.796   4
   1  -3  -2 2502.97 218.283  11
  -1   3   2 1988.23 160.152   8
   1  -3  -2 2354.03 213.519  12
   1  -3  -2 2547.50 193.606  17
  -1   3   2 1807.87 200.741  11
   1   3  -2 2318.49 232.689   7
   1   3  -2 1957.41 174.875  14
   1   3  -2 2041.68 173.710  13
  -1  -3   2 2003.79 202.986  18
  -1  -3   2 1990.91 200.081   7
   1   3  -2 1997.38 199.676  18
  -1   3   2 2184.56 214.793   9
   1   3  -2 2182.92 184.072   9
  -1  -3   2 2343.91 210.054   5
  -1  -3   2 1927.17 159.301   1
  -1  -3   2 1983.56 180.336  13
   1  -3  -2 2071.93 176.113   8
  -1   3   2 2000.27 193.811  16
  -1   3   2 2123.47 154.169  14
  -1   3   2 2346.29 231.947  12
  -1  -3   2 2202.08 207.414   9
   1   3  -2 2465.00 194.854  11
   1  -3  -1 49736.7 987.311  12
  -1   3   1 50407.3 986.083  12
   1   3  -1 49280.5 896.364   1
   1  -3  -1 50066.7 942.156  11
  -1  -3   1 51688.6 977.603   2
   1   3  -1 49268.5 897.593  13
   1   3  -1 51326.7 1006.07  18
   1  -3  -1 50054.0 881.408  10
   1  -3  -1 49987.0 997.242  17
  -1   3   1 49621.1 986.096  17
  -1  -3   1 50012.6 891.654   1
  -1  -3   1 50611.7 900.421  13
   1   3  -1 49427.2 974.355   7
  -1   3   1 48830.0 932.628  11
   1   3  -1 48285.3 967.976   2
  -1   3   1 47007.1 885.191   9
  -1  -3   1 49150.0 1001.16  18
  -1   3   1 50014.9 1014.17   6
  -1   3   1 50711.0 884.521  10
  -1  -3   1 51373.5 859.161  11
  -1  -3   1 49539.6 891.445   5
   1   3  -1 49684.1 887.419   5
   1  -3  -1 48015.1 943.478   3
  -1   3   1 49634.4 943.992   3
   1  -3  -1 48622.3 914.011  14
   1  -3  -1 51298.0 1022.42   6
   1   3  -1 49108.0 965.723   9
  -1   3   1 49872.7 923.267  14
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   1   7   6 8603.00 576.841  12
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   2  -1   5 19148.1 768.514  13
   2   1   5 20505.1 766.388   2
   2  -1   5 18424.3 727.541   5
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   2   1   6 14438.3 440.792  17
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   2   1   6 14322.8 431.695  15
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   2   1   6 14244.8 670.664   2
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   2  -1   7 42077.0 1339.26   5
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   2   1   7 45272.1 1312.15   2
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   2   1   7 43206.2 841.120  15
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   2  -1   8 526.003 332.984   9
   2   1   8 291.274 233.318   2
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   2   1   8 236.054 349.143   9
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   2   1   9 871.635 277.565   2
   2  -1   9 1005.68 269.488   2
   2   1   9 1093.85 395.516   9
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   2  -1   9 519.059 304.972   9
   2  -1  10-69.6661 291.423   9
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   2   1  10 393.671 240.481   2
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   2   1  10-17.8895 327.008   9
   2   1  11 47279.1 1573.78   2
   2   1  11 49366.3 1871.38   9
   2  -1  11 47864.8 1810.11   9
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   2  -1  11 49601.8 1630.04   2
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   2  -1  12 2277.77 507.016   9
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   2   1  12 2279.23 505.735   9
   2   1  12 2732.89 412.309   2
   2  -1  12 2268.31 387.284   2
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   2  -1  13 1016.26 432.417   9
   2   1  13 1125.81 440.329   9
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   2   1  14 205.084 370.299   9
   2  -1  14-153.752 361.961   9
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   2   2 -14 9193.79 932.371  16
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   2   2 -14 8747.12 923.854   3
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   2  -2 -13 890.045 475.279   3
   2   2 -13 188.332 432.375   3
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   2   2 -13 1654.31 493.101  16
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   2   2 -12-118.768 412.565   3
   2  -2 -12 376.088 369.475  16
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   2   2 -12 222.131 314.639  16
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   2   2 -11 3315.58 596.405   3
   2  -2 -11 1538.25 500.386   3
   2   2 -11 1522.64 402.588  16
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   2   2 -11 2804.05 543.697   8
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   2   2 -11 2927.49 375.916   4
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   2   2 -10 24770.7 1235.79   3
   2  -2 -10 20513.5 1106.27  16
   2   2 -10 25907.2 1304.86   8
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   2   2 -10 22825.8 901.451   4
   2  -2 -10 21324.3 1217.09   3
   2   2 -10 23385.7 1145.91  16
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   2   2  -9 1602.21 282.112   4
   2  -2  -9 1715.72 426.380  16
   2   2  -9 1871.97 490.218   8
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   2   2  -9 1587.16 398.735  16
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  -2   2   9 1528.04 208.579   6
  -2   2   9 958.071 369.738   9
   2   2  -9 1288.20 402.762   3
   2  -2  -9 2015.22 522.540   3
   2  -2  -9 1181.99 422.715   8
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   2   2  -8 5265.94 535.682  16
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   2  -2  -8 5122.45 558.708   8
  -2   2   8 5036.87 549.826   9
   2   2  -8 4492.30 366.944   4
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   2   2  -8 5248.48 563.125   3
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   2   2  -8 4962.48 588.612   8
   2  -2  -8 4148.37 480.938  16
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   2  -2  -8 5348.21 603.956   3
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   2   2  -7-3.86292 251.277  16
   2  -2  -7-139.742 255.269  16
   2  -2  -7 90.6272 306.765   8
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   2  -2  -7 326.958 358.315   3
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   2   2  -7 334.111 152.987   4
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   2   2  -7-241.257 290.259   3
   2   2  -7 205.934 293.342   8
   2  -2  -7 214.388 105.008  15
   2   2  -7 21.3900 88.0954  14
   2  -2  -7 11.0970 81.4905  17
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   2  -2  -6 5119.74 454.898  16
   2  -2  -6 5000.62 264.564  17
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   2   2  -6 4463.70 432.705   3
   2  -2  -6 5247.93 268.559  15
   2  -2  -6 4056.04 426.164   8
   2   2  -6 5296.41 323.083   4
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   2  -2  -6 4424.24 488.124   3
   2   2  -6 4695.92 415.519  16
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   2   2  -6 4838.67 474.171   8
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   2   2  -6 4547.27 224.044  14
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  -2   2   6 3798.12 147.701  14
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   2   2  -5 13162.8 466.338   4
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   2  -2  -5 13002.3 695.085   3
   2  -2  -5 13435.0 631.932  16
   2   2  -5 13469.5 636.731   3
   2   2  -5 13069.4 587.229  16
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   2   2  -5 12779.0 658.078   8
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   2   2  -4 54785.0 1063.40   4
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   2   2  -4 53801.3 1206.70  16
   2  -2  -4 55026.6 1359.28   3
   2  -2  -4 53477.1 1263.91   8
   2   2  -4 54547.4 950.046  14
   2  -2  -4 55941.1 1154.47   6
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   2   2  -4 54994.6 910.729   6
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   2   2  -4 53445.4 1291.21   3
   2   2  -3 85970.6 1550.89  16
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   2   2  -3 86927.4 1405.47   6
   2   2  -3 82545.3 1686.00   7
   2  -2  -3 86883.9 1575.70  17
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  -2   2   3 88050.1 1507.44  10
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   2  -2  -3 85573.9 1586.88   6
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   2   2  -3 86176.6 1399.09  14
   2   2  -3 85778.6 1459.77   2
   2   2  -3 85010.0 1462.25   4
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   2   2  -3 87838.5 1581.03  18
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   2  -2  -3 87267.8 1670.44  16
   2  -2  -3 89070.4 1584.96  15
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   2  -2  -3 84858.6 1722.52   3
   2   2  -3 85810.9 1532.84  13
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   2  -2  -2 3023.40 234.679  16
   2   2  -2 3110.10 199.529  12
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   2   2  -2 3635.10 283.538   7
   2   2  -2 2981.78 252.604  15
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  -2  -2   2 2854.41 231.911  11
  -2   2   2 3316.25 273.711  11
  -2   2   2 2710.47 226.773   6
   2   2  -2 2886.99 169.883  16
   2   2  -2 2931.51 184.472   6
  -2   2   2 2572.59 239.297  12
   2   2  -2 2883.49 219.547  11
  -2   2   2 2959.91 150.429  10
   2   2  -2 2820.35 225.497   1
   2  -2  -2 3418.92 246.927  15
   2  -2  -2 3403.20 234.714  17
   2  -2  -2 2711.98 246.950   3
  -2   2   2 2918.71 231.893  17
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   2   2  -2 3136.92 211.802  18
  -2  -2   2 3030.81 174.404  16
   2   2  -2 2772.44 192.970   2
   2  -2  -2 3031.23 215.197   7
   2   2  -2 2843.88 162.828  13
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   2  -2  -2 2723.73 146.861  14
  -2  -2   2 3203.57 195.310   2
   2  -2  -2 2909.76 229.631   6
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   2  -2  -2 2962.83 218.713   9
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   2   2  -1 3545.78 243.745   1
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   2   2  -1 3624.34 183.956  12
  -2   2   1 3706.97 268.540  12
  -2  -2   1 3425.30 244.105   9
   2   2  -1 3470.92 128.522  13
  -2  -2   1 3731.62 247.645  11
   2   2  -1 3589.42 237.564  11
   2  -2  -1 4120.94 262.380  11
   2   2  -1 3510.10 238.494   9
  -2   2   1 3574.75 261.087  11
   2  -2  -1 3772.86 257.652  15
  -2  -2   1 3105.91 195.518  10
   2   2  -1 3542.66 226.090   2
  -2   2   1 3377.35 156.896   4
   2  -2  -1 3693.39 254.161  17
  -2  -2   1 3452.57 252.813   1
   2  -2  -1 3491.47 159.074   4
  -2   2   1 3393.75 198.045   9
   2  -2  -1 3922.33 251.729   1
  -2   2   1 3940.23 260.118   1
  -2   2   1 3379.58 249.329  17
  -2  -2   1 3630.23 220.038   2
  -2  -2   1 3468.14 282.344  15
   2  -2  -1 3716.45 249.543   6
  -2  -2   1 3581.91 133.759  13
   2  -2  -1 3572.44 200.596  14
   2  -2  -1 3801.57 202.243   9
   2   2  -1 4061.38 283.310  15
  -2   2   1 3655.11 263.268   6
   2  -2  -1 3722.79 256.786  12
   2   2   0 109370. 1859.54   1
  -2   2   0 105576. 1803.27  14
  -2   2   0 108264. 1854.95  12
   2   2   0 102886. 1665.31  12
   2  -2   0 110669. 1859.46  12
  -2   2   0 104203. 1727.05   4
  -2   2   0 103409. 1860.05  17
   2   2   0 105815. 1739.71  10
  -2  -2   0 104042. 1735.06  10
   2   2   0 104430. 1822.99   2
  -2  -2   0 104398. 1869.38  15
   2  -2   0 108848. 1808.02  14
   2  -2   0 105793. 1660.45   9
  -2   2   0 103112. 1851.26   6
  -2  -2   0 105144. 1838.49   1
   2  -2   0 105340. 1725.77   4
   2  -2   0 106780. 1808.06   5
  -2  -2   0 108059. 1836.32   2
  -2   2   0 108189. 1792.66   1
   2  -2   0 105823. 1792.64   1
   2  -2   0 109024. 1880.64  17
   2   2   0 105518. 1871.37  15
   2  -2   0 109700. 1870.24   6
   2  -2   0 105682. 1680.18  13
  -2   2   0 104890. 1684.26  13
   2  -2   0 106095. 1866.49  15
   2  -2   1 533.330 155.367  15
  -2   2  -1 506.948 146.903   1
   2  -2   1 487.314 141.041  12
   2  -2   1 456.270 131.185   4
  -2   2  -1 468.000 114.597  13
   2  -2   1 317.747 122.025  17
   2  -2   1 149.217 141.480   5
   2  -2   1 536.868 158.806   6
  -2   2  -1 404.710 133.762   5
  -2  -2  -1 224.952 139.605   2
   2   2   1 553.758 124.758  10
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  -2   2  -1 712.051 190.193   6
   2  -2   1 180.116 113.917   1
  -2   2  -1 437.591 152.541  17
   2   2   1 493.838 141.694  15
  -2   2  -1 294.826 151.363   4
   2   2   1 301.531 67.4081  16
  -2  -2  -1 476.424 83.5256  16
   2   2   1 551.400 167.003   2
  -2   2  -1 418.512 180.533  14
   2  -2   1 323.177 125.722  13
   2  -2   1 445.070 151.697  14
  -2  -2  -1 387.284 131.163  10
  -2  -2  -1 293.686 170.474   1
   2   2   2 33127.7 667.597   5
  -2  -2  -2 34128.3 809.945  15
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   2   4  -3 13224.2 459.662  14
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   2   4  -2 1684.03 227.973   7
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   2   4  -2 1800.19 154.414  13
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  -2   4   2 1330.24 163.138   9
   2   4  -2 2203.15 192.481  11
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   2   4  -1 27149.1 511.158  12
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   2   4  -1 28395.2 620.695  13
   2   4  -1 28219.8 593.039   5
   2  -4  -1 29181.8 582.815  10
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   2  -4  -1 29784.1 721.212  14
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   2  -4  -1 29256.2 754.809  11
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   2   4  -1 29380.5 742.856   1
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   2  -4  -1 28503.1 721.765   1
   2  -4  -1 30362.7 637.711   9
   2  -4  -1 29174.7 706.498   3
   2   4  -1 28595.4 775.456   2
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   2  -4  -1 28294.1 538.670   7
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   2   4  -1 28923.5 687.891  11
  -2  -4   0 1629.02 140.837  13
   2   4   0 1516.76 223.894   2
   2   4   0 1563.87 96.7461  12
  -2   4   0 1853.94 190.625   1
  -2  -4   0 1410.82 209.741   1
   2  -4   0 2058.47 176.407   1
   2  -4   0 1984.91 192.208  11
  -2   4   0 1676.10 232.667  17
   2   4   0 1935.58 194.930  10
  -2  -4   0 1779.56 202.077  10
  -2   4   0 2046.93 252.181  12
   2  -4   0 1642.90 217.472   5
   2  -4   0 1673.88 144.370   3
   2  -4   0 1611.93 95.0629   9
  -2  -4   0 1415.35 247.214  15
  -2   4   0 1773.07 191.818   4
   2  -4   0 1469.91 181.889  13
  -2   4   0 1697.68 93.1890   9
  -2   4   0 1682.06 220.184   6
  -2   4   0 1653.40 210.531  14
  -2  -4   0 1894.51 106.930  16
   2  -4   0 1683.78 171.199   4
   2  -4   1 2178.63 218.401  13
   2   4   1 1903.12 255.790   2
  -2   4  -1 1757.76 247.858  17
  -2   4  -1 1948.10 232.046   6
   2  -4   1 2279.80 172.935   1
   2  -4   1 2346.99 264.060   5
  -2   4  -1 2152.93 232.195   4
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  -2  -4  -1 2222.16 261.412  15
   2  -4   2 916.740 191.890  13
   2  -4   2 832.578 114.042   3
  -2  -4  -2 579.313 83.6978   5
  -2   4  -2 679.207 193.601  17
  -2   4  -2 771.965 193.282   4
   2  -4   2 530.854 201.767   5
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   2   8 -11 1185.61 460.017   8
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   2   8 -10 2714.26 559.257   8
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   2   8 -10 1832.63 396.177   3
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   2   8  -4 9665.77 568.214   4
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   2   8  -4 11471.1 464.340   6
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   2  -8  -4 9988.73 623.623   3
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   2  -8  -4 10581.1 653.663  16
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   2  -8  -3 388.179 112.555  18
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   2  -8  -3 760.573 283.895  16
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   2   8  -3 365.201 224.124  14
   2   8  -3 176.243 220.110   7
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  -2   8   2 117610. 2179.28  11
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  -2  -8   2 120725. 2374.75  10
   2   8  -2 121069. 1965.99  11
   2  -8  -2 118818. 2179.18  10
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   2  -8  -2 122202. 2100.64  18
   2   8  -2 120233. 2409.45   2
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   2   8  -2 118171. 2324.07   7
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   2  -8  -2 115736. 2260.32   3
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   2   8   8 31118.3 1201.52   2
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   2   9  -7 30508.8 1092.72   3
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   3   9  -4 7349.57 568.709   7
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   4   1  -8 488.019 281.249  16
   4  -1  -8 1084.29 367.873   8
  -4   1   8 726.519 174.163   6
   4   1  -7 521.475 96.8986   4
  -4   1   7 812.010 298.066  12
  -4  -1   7 952.683 313.501  12
  -4  -1   7 585.636 317.709  11
  -4   1   7 263.487 313.053  11
   4  -1  -7 408.581 310.512   3
   4   1  -7 1313.67 396.311   3
   4  -1  -7 666.344 322.381   8
  -4   1   7 505.955 300.501   9
  -4  -1   7 461.236 323.529   9
   4  -1  -7 1177.10 316.649  16
   4   1  -7 584.804 269.943  16
  -4   1   7 1086.34 250.845  15
  -4  -1   7 663.935 232.578  15
   4   1  -7-127.628 372.121   8
  -4   1   7 904.429 182.036   6
  -4   1   6 7835.51 600.164  12
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  -4  -1   6 6972.14 563.865  11
  -4   1   6 6904.98 593.133  11
   4  -1  -6 6254.84 579.219   3
   4   1  -6 7875.94 618.077   3
   4   1  -6 6636.12 249.860   4
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   4  -1  -6 8035.84 535.014  16
   4   1  -6 6636.36 468.894  16
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  -4   1   6 7406.24 425.962   6
  -4   1   5 246.970 229.137  12
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  -4  -1   5 116.939 260.723  11
  -4   1   5 6.98589 269.532  11
  -4   1   5-384.672 262.472   9
   4  -1  -5-301.323 277.899   3
   4   1  -5-77.4913 266.644   3
   4  -1  -5 108.396 92.3388  18
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   4  -1  -5-256.706 204.685  16
   4   1  -5-51.7631 168.165  16
   4   1  -5 119.217 58.0680   4
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   4   1  -5 11.4655 30.9138  14
   4   1  -5 19.5866 30.9387  14
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   4  -1  -4 1472.38 129.829   2
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   4  -1  -4 1361.40 294.280   3
   4   1  -4 1562.19 330.579   3
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   4  -1  -4 1950.85 257.583  16
  -4   1   4 1378.33 283.823  15
   4   1  -4 1931.02 228.569  16
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   4   1  -4 1909.69 322.174   7
   4  -1  -4 1357.00 114.729  14
   4   1  -4 1690.98 130.371   4
   4  -1  -4 1884.09 296.903   7
   4   1  -4 1532.25 137.161  14
   4   1  -4 1458.16 157.275   2
  -4   1   4 1367.77 241.196   6
   4   1  -4 1904.64 186.926  13
   4  -1  -3 53521.8 1387.81   3
  -4   1   3 51627.4 1307.11  12
  -4  -1   3 51984.5 1246.04  12
   4   1  -3 49904.6 1082.47   2
  -4  -1   3 52507.3 1370.60  11
  -4   1   3 52711.4 1395.56  11
   4   1  -3 52979.6 1075.64  16
  -4   1   3 52585.7 1293.85   9
  -4  -1   3 51944.4 1329.66   9
  -4   1   3 52696.3 1389.39   1
   4  -1  -3 51733.8 1164.02  16
   4  -1  -3 50475.1 1030.46   2
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  -4   1   3 51779.0 1342.77  15
  -4  -1   3 49051.9 1342.53  15
   4  -1  -3 50036.8 1258.73   7
   4   1  -3 51351.3 1036.97  14
   4  -1  -3 52705.1 1014.02  14
   4   1  -3 51239.7 1327.52   7
  -4   1   3 50733.2 1247.47   6
   4   1  -3 50525.8 942.571  13
  -4  -1   2 476.172 169.616  12
  -4   1   2 697.849 225.393  12
   4   1  -2 553.514 154.999   2
  -4   1   2 906.952 247.040   1
  -4   1   2 876.379 278.267  11
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   4  -1  -2 692.486 148.348   2
  -4  -1   2 967.599 129.183  10
   4   1  -2 765.355 121.439   4
   4  -1  -2 782.663 108.907   4
  -4  -1   2 901.233 216.988   9
   4   1  -2 686.534 117.042  16
  -4   1   2 642.193 187.557   9
  -4   1   2 380.308 231.784  15
  -4  -1   2 856.452 268.726  15
   4  -1  -2 818.655 202.224   7
   4   1  -2 696.438 226.995   7
  -4   1   2 845.018 229.321   6
   4  -1  -2 751.245 151.600  16
  -4  -1   1 7007.56 396.791  12
  -4   1   1 7840.34 455.398  12
  -4  -1   1 7148.05 278.891  10
   4  -1  -1 6451.82 313.868   4
  -4   1   1 6795.36 402.442   9
  -4   1   1 6756.42 461.767   1
   4   1  -1 6956.90 243.762  16
  -4   1   1 6367.45 441.124   6
  -4  -1   1 7064.03 474.703   1
   4   1  -1 6532.16 389.601   2
  -4   1   1 6634.39 481.372  15
   4  -1  -1 7059.97 388.035   2
  -4  -1   1 7219.30 495.493  15
   4  -1  -1 6716.79 223.107  13
   4   1   0-232.770 206.037   2
   4   1   0 332.533 93.9681  10
   4  -1   0 334.031 68.0874  10
   4  -1   0-132.793 171.830   5
   4   1   0 209.439 105.362   5
  -4   1   0 164.371 138.413   4
  -4  -1   0 289.559 98.3286  10
   4  -1   0 342.516 169.298   2
  -4   1   0 106.784 208.040   1
  -4   1   0 456.462 260.847  15
  -4  -1   0 136.699 235.689  15
  -4  -1   0 385.464 239.390   1
   4  -1   0 313.699 83.3476  13
   4   1   1 107289. 1816.74   5
   4  -1   1 106306. 1953.55   5
   4   1   1 105085. 1870.70  10
   4  -1   1 106028. 1782.17  10
  -4  -1  -1 105169. 1882.21  10
  -4   1  -1 107429. 2062.28   4
   4   1   1 105443. 2144.21   2
  -4   1  -1 110967. 2218.85  15
  -4  -1  -1 108953. 2212.77  15
  -4   1  -1 106078. 2128.48   1
  -4  -1  -1 107699. 2186.25   1
   4   1   1 109230. 1758.55  16
   4  -1   1 109553. 1789.22  13
  -4  -1  -1 103249. 1673.14  13
  -4   1  -1 106493. 1762.34  13
  -4  -1  -2 3717.22 236.988   5
   4   1   2 3613.15 243.721   5
  -4   1  -2 3937.59 374.775   1
   4  -1   2 3778.39 295.244   5
  -4  -1  -2 3690.59 291.654  10
   4   1   2 4160.99 397.867   2
  -4  -1  -2 3603.02 393.419   1
  -4   1  -2 3363.04 338.081   4
   4   1   2 3906.31 245.048  16
  -4  -1  -2 3597.55 371.527  15
   4  -1   2 3962.91 265.990  13
  -4  -1  -2 4184.09 244.644  13
   4   1   3 973.191 178.822   5
   4  -1   3 1076.76 212.210   5
   4   1   3 1054.21 264.590   2
  -4   1  -3 808.466 254.360   4
  -4   1  -3 964.512 270.414   1
  -4  -1  -3 745.839 233.890  15
  -4  -1  -3 345.189 246.054   1
   4  -1   3 586.883 177.546  13
   4   1   4 1360.41 215.401   5
   4  -1   4 1981.76 279.154   5
  -4  -1  -4 1437.18 335.550   1
   4   1   4 1549.72 325.603   2
  -4   1  -4 1653.75 318.359   4
  -4  -1  -4 1929.19 293.141  15
  -4   1  -4 1899.89 320.709   1
   4  -1   4 1604.47 262.901  13
   4   1   5-36.7250 174.385   5
   4  -1   5-160.742 218.111   5
  -4   1  -5-150.120 252.001   1
   4   1   5 292.212 321.323   2
  -4   1  -5 174.807 275.590   4
  -4  -1  -5-74.0799 293.878   1
   4  -1   5 42.4863 201.064  13
  -4  -1  -6 1814.12 401.827   1
   4   1   6 1369.28 262.625   5
   4  -1   6 1872.21 327.646   5
   4   1   6 1441.71 343.652   2
   4  -1   6 1701.36 378.851   2
  -4   1  -6 1670.14 383.889   4
  -4   1  -6 1753.82 354.060   1
   4   1   7 29713.1 1065.41   5
   4  -1   7 30064.5 1117.96   5
  -4   1  -7 29573.1 1253.71   4
   4   1   7 32205.1 1245.10   2
   4  -1   7 28662.0 1185.87   2
  -4   1  -7 27805.3 1159.47   1
  -4  -1  -7 28277.3 1218.59   1
   4  -1   8 5057.80 514.934   5
   4   1   8 6147.01 574.389   2
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   4  -1   8 5284.07 569.796   2
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   4  -1   9 672.459 267.797   5
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   4   1   9 569.169 332.392   2
   4  -1   9 1004.53 340.334   2
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   4  -1   9 1012.77 357.341   9
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   4   1  10 3136.80 477.393   2
   4  -1  10 4018.62 545.163   2
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  -4   1 -10 3881.69 569.619   4
   4   1  10 3282.19 542.737   9
   4  -1  10 3545.63 560.711   9
  -4   1 -10 3432.96 525.693   1
  -4   1 -11 10212.7 878.597   4
   4   1  11 11883.1 956.814   9
   4  -1  11 11546.9 908.873   9
   4   1  11 9662.78 793.011   2
   4  -1  11 11287.9 860.225   2
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  -4  -1 -12 1289.67 503.013   1
   4   1  12 578.408 364.729   2
   4  -1  12 266.082 308.389   2
   4   1  12-180.284 342.718   9
   4  -1  12 13.5682 307.106   9
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   4   1  13 2447.38 480.291   2
   4  -1  13 3064.88 503.738   2
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   4   1  13 1635.69 441.042   9
   4  -1  13 2316.33 505.390   9
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   4   2 -14 11307.4 1094.05   3
   4   2 -14 9935.92 943.301  16
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   4   2 -13 13518.6 1131.95   8
   4  -2 -13 10774.5 1074.48   3
  -4  -2  13 12458.3 1072.33  11
   4   2 -13 12105.4 1082.83   3
  -4   2  13 11207.7 1020.48  11
  -4   2  13 12177.7 1071.01   9
   4  -2 -13 13008.8 1039.45  16
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   4   2 -13 11454.9 974.987  16
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   4  -2 -12 1254.23 490.313   3
   4   2 -12 737.122 457.460   3
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  -4   2  12 169.682 388.901  11
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   4  -2 -12 162.949 339.799  16
   4  -2 -12 704.548 436.264   8
   4   2 -12 182.162 298.962  16
   4   2 -12 625.276 551.135   8
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   4  -2 -11 3922.17 653.870   3
  -4  -2  11 4068.68 610.929  11
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   4   2 -11 4886.52 671.907   3
  -4   2  11 5664.75 667.764   9
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   4  -2 -11 4990.44 618.756  16
   4   2 -11 4876.25 580.953  16
   4  -2 -11 4054.39 609.262   8
   4   2 -11 5054.91 676.862   8
  -4   2  10 7782.12 721.238  12
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   4  -2 -10 8117.70 818.853   3
  -4  -2  10 7414.67 729.354  11
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   4   2 -10 7040.20 723.536   3
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   4  -2 -10 8535.25 739.369  16
   4   2 -10 7466.86 665.953  16
   4  -2 -10 8013.26 769.089   8
   4   2 -10 7873.00 762.591   8
   4   2  -9 830.596 294.998  16
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  -4   2   9 1145.88 387.335  12
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  -4   2   9 8.44007 354.608  11
   4  -2  -9 910.855 437.044   3
   4   2  -9 319.764 353.698   3
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   4  -2  -9 642.884 298.846  16
   4  -2  -9 1458.41 434.228   8
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   4   2  -9 147.479 348.637   8
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  -4   2   8 12152.9 847.205  11
   4   2  -8 14138.2 498.245   4
  -4   2   8 14594.2 888.086   9
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   4  -2  -8 14770.1 871.948   8
   4  -2  -8 14442.7 836.109  16
   4   2  -8 14095.1 773.654  16
   4   2  -8 12444.3 860.297   8
  -4  -2   8 14730.9 700.118  15
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   4  -2  -8 13697.6 916.660   3
   4   2  -8 12316.2 845.717   3
  -4   2   7 641.409 332.455  12
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  -4  -2   7 420.548 325.286  11
  -4   2   7 41.6254 302.697  11
   4  -2  -7 277.018 368.129   3
   4   2  -7 96.5441 240.154  16
   4   2  -7 229.258 319.945   3
  -4   2   7 353.009 293.613   9
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   4  -2  -7 13.5051 251.904  16
   4   2  -7 623.269 131.758   4
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   4  -2  -7 418.891 304.048   8
  -4   2   7 254.998 173.470   6
   4   2  -6 561.668 129.974   6
  -4   2   6 478.728 284.170  12
  -4  -2   6 581.841 255.102  12
   4  -2  -6 622.288 253.048  16
  -4  -2   6 197.904 258.645  11
  -4   2   6 162.586 305.397  11
  -4  -2   6 488.233 90.2775   2
   4  -2  -6 1496.03 407.031   3
   4   2  -6 917.874 356.034   3
  -4   2   6 668.406 267.331   9
  -4  -2   6 750.738 320.555   9
   4   2  -6 101.327 187.783  16
   4   2  -6 734.073 122.565   4
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   4  -2  -6 868.082 285.673   8
  -4   2   6 615.981 198.152   6
   4   2  -5 342.110 170.790  16
  -4   2   5 74.3003 253.479  12
  -4  -2   5 145.557 201.952  12
  -4  -2   5 300.772 277.589  11
  -4   2   5 332.999 315.378  11
  -4  -2   5 152.516 89.6302   2
   4  -2  -5 421.113 304.383   3
   4   2  -5-1.20948 247.775   3
   4  -2  -5 217.465 82.2952  18
  -4  -2   5-106.785 217.245  15
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  -4  -2   5 631.569 289.920   9
   4  -2  -5 197.580 204.130  16
   4   2  -5 217.338 108.150   4
   4   2  -5 265.192 75.1170  14
  -4   2   5 342.380 211.571   6
  -4   2   4 53767.5 1433.89  12
  -4  -2   4 51445.7 1298.45  12
  -4  -2   4 52791.1 1432.44  11
  -4   2   4 54228.4 1496.78  11
  -4  -2   4 53881.6 1454.97   1
  -4   2   4 54406.7 1057.72  10
  -4   2   4 54784.5 1408.12   9
  -4  -2   4 54919.2 1457.93   9
   4   2  -4 55786.3 1139.88   2
   4  -2  -4 53632.7 1322.14  16
   4   2  -4 53512.3 1185.64  16
   4  -2  -4 52717.3 961.369   2
   4   2  -4 52690.8 1443.72   7
  -4  -2   4 54804.0 1120.81   2
  -4  -2   4 51927.7 1399.11  15
   4  -2  -4 51601.3 944.472  14
  -4   2   4 52121.3 1372.15  15
   4   2  -4 51757.5 1086.46  13
  -4   2   4 53486.1 1318.26   6
   4  -2  -4 53741.9 1478.16   3
   4  -2  -3 17882.6 750.703   3
  -4  -2   3 17827.1 748.669   1
  -4   2   3 17287.3 730.717  12
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  -4  -2   3 16574.3 717.334  11
  -4   2   3 16909.0 754.900  11
   4   2  -3 16958.2 579.740   2
  -4   2   3 16335.9 394.046  10
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  -4   2   3 17960.3 776.181   1
  -4   2   3 17449.7 677.778   9
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   4  -2  -3 17820.2 643.663  16
   4   2  -3 17638.7 515.288  16
   4  -2  -3 16973.0 505.029   2
  -4  -2   3 17204.1 754.404  15
   4  -2  -3 16905.7 646.851   7
   4  -2  -3 18021.4 509.630  14
  -4   2   3 16589.3 683.115   6
   4   2  -3 17092.9 738.661   7
   4   2  -3 16576.6 434.324  13
  -4  -2   2 12287.7 506.144  12
  -4   2   2 12014.2 594.862  12
  -4   2   2 12098.8 632.282  11
  -4  -2   2 12792.6 440.320  10
   4  -2  -2 12140.5 366.356   4
  -4   2   2 12000.3 527.152   9
  -4  -2   2 12716.3 606.577   9
   4  -2  -2 12376.8 496.330  16
   4   2  -2 12993.2 353.896  16
   4   2  -2 12707.2 520.401   2
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  -4   2   2 13569.3 643.024   1
  -4   2   2 12315.3 620.411  15
  -4  -2   2 12296.6 633.179  15
   4  -2  -2 11827.6 462.855   2
   4  -2  -2 12977.6 541.324   7
  -4   2   2 11952.0 579.374   6
   4  -2  -1 1029.87 125.905  13
  -4  -2   1 582.327 182.687  12
  -4   2   1 624.365 232.978  12
   4   2  -1 490.190 190.846   2
  -4   2   1 542.274 225.912   1
  -4  -2   1 774.910 249.710  15
  -4  -2   1 520.707 123.948  10
  -4   2   1 747.636 144.561   4
  -4  -2   1 643.434 251.842   1
   4   2  -1 535.161 55.9413  16
   4  -2  -1 606.550 126.017   4
  -4   2   1 774.945 177.620   9
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   4   7   4 199.561 330.069   2
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   4  -7   4 475.683 338.201   5
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   4  -8   3 35.1534 33.7477   9
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   4   8   4 21368.3 1020.12   2
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   4   8   9 722.871 355.724   2
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   4   8  10 24734.9 1280.13   2
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   4   8  11 1031.41 373.011   2
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   4  -9 -11 20872.8 1309.64  16
   4   9 -11 22052.5 1392.22   8
   4  -9 -11 19644.3 1376.82   3
   4   9 -11 21755.7 1245.60   3
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   4   9 -10-65.5452 403.777   8
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   4  -9  -9 396.861 448.354   3
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   5  -8   0 624.268 252.177  13
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   5  -8   0 494.351 104.732  10
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   6  -3  -8 1818.26 499.714   3
   6   3  -8 2304.19 479.593   3
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   6  -3  -8 2554.91 442.818   8
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   6  -8  -1 292.728 150.151   7
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   6   8   0 47098.8 1576.34   2
   6  -8   0 46146.6 1553.18   5
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   6  -8   0 46779.9 1310.77  13
   6  -8   0 47552.7 1306.24   3
   6  -8   1 575.327 218.192  13
   6   8   1 403.662 282.218   2
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   6  -8   1 425.046 312.150   5
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   6  -8   1 430.616 177.716   3
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   6  -8   2 740.403 235.711  13
   6   8   2 890.451 333.457   2
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   6  -8   2 504.070 274.435   5
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   6  -8   3 2709.72 364.514  13
   6   8   3 2228.23 436.989   2
   6  -8   3 2555.33 428.465   5
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   6  -8   4 11648.1 784.012   5
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   6   8   4 12230.1 868.260   2
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   6  -8   4 12795.9 749.837  13
   6   8   5 688.043 316.656   2
   6  -8   5 630.120 351.686   5
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   6  -8   5 457.452 267.437  13
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   6 -10  -3 1957.99 317.983  13
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   6 -10  -3 1392.31 316.935   3
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   6 -10   0 15709.0 779.872  13
   6 -10   0 16891.7 705.543   3
   6 -10   1 2337.46 349.873  13
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   6 -10   1 1200.52 358.808   5
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   6  10   1 2060.29 462.521   2
   6 -10   2 2300.21 354.916  13
   6  10   2 2587.84 440.804   2
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   6 -10   2 2801.64 473.921   5
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   6 -10   3 4766.99 485.379  13
   6  10   3 3575.75 559.582   2
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   6 -10   3 3581.22 516.607   5
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   6  10   4 1835.20 467.990   2
   6 -10   4 2894.02 518.518   5
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  -6 -10  -4 2801.65 464.419  15
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   6 -10   4 2346.84 385.898  13
   6  10   5 299.258 370.732   2
   6 -10   5 545.066 353.840   5
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  -6 -10  -5 106.274 282.609  10
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  -6 -10  -5 81.3032 279.779  15
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   6 -10   5 620.367 333.062  13
   6  10   6 4748.06 672.868   2
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   7  -4   5 16548.9 877.087   5
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   7   4   6 5863.32 694.356   2
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   7  -4   6 5779.32 676.429   2
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   7  -4   6 5069.79 496.810  13
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   7  -4   7 567.430 285.766   5
   7   4   7 1046.65 435.719   2
   7  -4   7 368.580 341.681   2
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   7   4   8 1127.44 410.500   2
   7  -4   8 741.274 382.980   2
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   7  -6   5 11590.8 795.849   5
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   7   6   8 553.497 376.438   2
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   7  -6   8 505.334 416.301   2
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   7  -6   9 3058.53 573.545   2
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   7  -7 -11-35.4266 326.800  16
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   7  -7 -10 20135.8 1231.22  16
   7   7 -10 19023.0 1347.11   8
   7  -7 -10 19567.1 1361.76   3
   7   7 -10 19000.5 1280.87   3
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   7  -7  -9 211.800 427.094   3
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   7  -7  -7 1000.45 433.229   3
   7   7  -7 387.129 344.047   3
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   7  -7  -6 8697.02 776.517   3
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   7  -7  -6 9981.84 743.855  16
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   7   7  -6 9974.97 844.294   7
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   7  -7  -5 1082.18 382.556   3
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   7  -7  -5 459.526 264.129  16
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   7   7  -5 1757.30 492.341   7
   7   7  -5 614.405 285.527   2
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   7  -7  -4 3602.63 503.581   3
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   7   7  -4 2942.07 521.764   7
   7   7  -4 2284.69 399.743   2
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   7  -7  -3 5130.45 535.704   3
   7  -7  -3 4810.45 552.131   5
   7  -7  -3 5390.23 516.656  16
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   7   7  -3 4555.10 578.409   7
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   7   7  -3 4860.19 511.800   2
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   7  -7  -2 650.508 270.650   5
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   7  -7  -2 1217.14 307.841   3
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   7  -7  -1 491.850 187.672  13
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   7  -7  -1 300.432 280.446   5
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   7  -7  -1 843.819 240.488   7
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   7   7   4 2184.36 493.746   2
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   7   7   5-51.3249 335.364   2
   7  -7   5 267.101 299.335   5
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   7   7   6 6894.81 762.413   2
   7  -7   6 6307.84 647.904   5
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   7  -7   6 5622.25 554.687  13
   7   7   7 2604.79 541.361   2
   7  -7   7 3045.26 502.198   5
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   7  -7   7 2830.59 444.306  13
   7   7   8 425.724 405.811   2
   7  -7   8 6.77269 311.325   5
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   7   7   9-212.869 334.568   2
   7  -7   9-146.579 321.045   5
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   7  -7   9 125.989 302.897  13
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   7  -8 -11 10704.1 953.830  16
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   7  -8 -10 935.995 485.833   3
   7   8 -10 1315.15 498.529   3
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   7  -8 -10 319.017 349.272  16
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   7   8 -10 759.284 502.436   8
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   7  -8  -9 4104.97 664.025   3
   7   8  -9 4976.06 699.788   3
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   7  -8  -9 4641.82 632.985  16
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   7  -8  -8 58.3107 350.674   3
   7   8  -8 1146.40 453.084   3
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   7  -8  -7 180.425 322.006   3
   7   8  -7 463.187 394.108   3
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   7  -8  -6-216.185 297.929   3
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   7   8  -6-313.182 368.700   7
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   7   8  -5 14958.0 836.102   2
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   7  -8  -5 14756.2 892.810  16
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   7   8  -5 15007.4 1029.53   7
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   7   8  -4 40.4829 295.864   7
   7   8  -4 94.8318 228.461   2
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   7  -8  -3 126.912 229.995   3
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   7  -8  -3 579.002 297.635  16
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   7   8  -3 945.002 401.782   7
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   7   8  -3 346.854 274.185   2
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   7   8  -2-168.150 300.174   7
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   7   8  -1 21290.4 1074.04   2
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   7  -8   0 859.298 233.702  13
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   7  -8   1 13246.5 684.011   3
   7  -8   1 13055.9 853.255   5
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   7   8   1 12316.8 874.861   2
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   7  -8   1 13230.6 685.327  13
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   7   8   2 363.697 299.025   2
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   7  -8   2 242.213 278.789   5
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   7   8   3-246.559 306.146   2
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   7  -8   3 524.748 329.037   5
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   7   8   4 1640.78 482.773   2
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   7  -8   4 789.162 280.474  13
   7   8   5 5394.62 668.683   2
   7  -8   5 4626.28 570.828   5
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   7  -8   5 5288.36 538.301  13
   7   8   6 608.911 386.042   2
   7  -8   6 873.211 379.092   5
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   7  -8   6 669.894 300.931  13
   7   8   7 3218.49 587.962   2
   7  -8   7 2905.85 529.432   5
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   7  -8   7 2410.99 438.580  13
   7   8   8-211.770 385.423   2
   7  -8   8 0.94759 331.741   5
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   7  -8   8 260.910 293.451  13
   7  -8   9 1641.06 454.189   5
   7  -8   9 1405.18 420.013  13
   7  -8  10 1030.05 463.591   5
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   7  -9 -11 11.0340 350.207  16
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   7  -9 -10 12897.8 1138.75   3
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   7  -9 -10 12902.1 1034.52  16
   7   9 -10 12810.2 1076.90   3
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   7  -9  -9 726.852 462.792   3
   7   9  -9 774.729 411.819   3
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   7  -9  -9 1146.86 392.197  16
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   7  -9  -8 533.669 394.963   3
   7   9  -8-46.6258 336.843   3
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   7  -9  -8-285.701 329.723  16
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   7  -9  -7 264.628 324.953   3
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   7   9  -7-114.569 338.035   3
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   7  -9  -7-74.4985 278.270  16
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  -7   9   6 2691.04 519.974  12
  -7   9   6 3069.08 553.505  11
   7  -9  -6 3180.91 516.477   3
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   7  -9  -6 2911.57 450.988  16
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   7   9  -6 4120.01 606.993   7
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   7  -9  -5 465.984 337.672   3
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   7  -9  -5 557.296 310.259  16
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   7   9  -5 445.294 289.730   2
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   7  -9  -4 4863.45 445.174  13
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   7  -9  -4 4812.08 539.551   3
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   7  -9  -4 5045.23 555.272  16
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   7   9  -4 5395.24 637.967   7
   7   9  -4 4722.28 534.911   2
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   7  -9  -3 2343.47 323.049  13
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   7  -9  -3 2163.72 387.636   3
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   7  -9  -3 2159.91 436.906   5
   7  -9  -3 2185.59 378.419  16
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   7   9  -3 2084.01 448.269   7
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   7   9  -3 1732.15 385.303   2
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   7  -9  -2 354.409 182.474  13
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   7  -9  -2 967.199 285.826   3
   7  -9  -2 1086.68 371.237   5
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   7  -9  -2 654.321 282.061  16
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   7   9  -2 927.517 427.449   7
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   7   9  -2 1135.72 367.005   2
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   7  -9  -1 2606.08 332.283  13
   7  -9  -1 2827.33 490.378   5
   7  -9  -1 2359.99 341.150   3
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  -7  -9   1 2852.61 530.678  15
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  -7   9   1 2197.15 446.908   6
   7   9  -1 2623.41 448.345   2
   7  -9   0 28967.1 1286.14   5
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  -7   9   0 28817.9 1094.01   4
  -7   9   0 28257.2 1191.09   1
  -7   9   0 29271.2 1409.48  17
   7   9   0 28371.0 1321.97   2
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  -7   9   0 28841.3 1271.37  14
  -7   9   0 28385.2 1348.76   6
   7  -9   0 27712.7 1033.92  13
   7  -9   0 28720.8 1045.11   3
   7  -9   1 611.327 268.961  13
   7   9   1 299.603 335.394   2
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   7  -9   1 356.889 310.427   5
  -7  -9  -1 1159.53 300.445  10
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  -7  -9  -1 659.131 349.889   1
   7  -9   2 1248.36 285.895  13
   7   9   2 1921.29 474.252   2
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  -7   9  -2 1675.15 341.062   1
   7  -9   2 769.357 362.726   5
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   8   1 -11 6504.01 845.778   8
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   8   1  -9 1545.45 523.473   3
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   8  -1  -9 1159.69 415.177   8
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   8  -1  -8 1109.13 455.054   3
   8   1  -8 1808.34 541.110   3
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   8  -1  -7 18251.2 1187.99   3
   8   1  -7 16732.0 1134.18   3
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   8  -1  -6 260.639 324.541   3
   8   1  -6-256.185 387.803   3
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   8   1  -6-27.4511 312.990   7
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   8   1  -5 1519.27 424.226   3
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   8   1  -5 2072.30 426.286   7
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   8  -1  -4 28.8988 303.193   3
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   8  -1  -4 175.195 277.349   7
   8   1  -4 437.326 333.668   7
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   8   1  -3 11863.9 700.139   2
   8  -1  -3 11600.8 675.778   2
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   8  -1  -3 12415.2 810.441   7
   8   1  -3 11202.1 802.812   7
   8   1  -2 500.674 266.117   2
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   8  -1  -2 1073.46 368.836   7
   8   1  -2 965.894 402.334   7
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   8   1   0-77.7728 250.280   2
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   8   1   1-128.875 288.607   2
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   8   1   2 2179.43 442.342   2
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   8   2  -6 2995.54 531.494   3
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   8   2  -6 3526.22 532.045   7
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   8  -2  -3 1039.96 364.240   3
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   8   2   0 775.578 324.685   2
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   8   2   1 434.388 302.976   2
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   8  -2   1 687.175 325.240   2
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   8   2   2 3866.30 533.347   2
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   8   2   4 9340.32 820.525   2
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   8   2   5 5120.39 634.504   2
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   8   2   6 36.9905 281.700   2
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   8   2   7 740.440 392.389   2
   8  -2   7 1213.32 399.650   2
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   8   2   8 7751.13 836.063   2
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   8   3 -10 26.8964 377.397   8
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   8  -3  -8 2974.74 583.401   3
   8   3  -8 2859.44 576.869   3
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   8  -3  -7 4260.91 622.817   3
   8   3  -7 3970.85 649.649   3
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   8  -3  -6 38.0651 353.218   3
   8   3  -6 196.028 345.210   3
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   8  -3  -5 6665.60 692.845   3
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   8  -3  -4 611.491 273.500   7
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   8  -3  -2 1401.29 321.042   2
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   8  -3  -1 4403.05 483.634   2
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   8   3   0 278.036 304.476   2
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   8   3   1 884.814 316.375   2
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   8  -3   2 7454.40 583.691   5
   8   3   2 6346.37 655.637   2
   8  -3   2 7187.07 667.413   2
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   8   3   3 11216.7 871.128   2
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   8  -3   3 11296.2 854.906   2
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   8   3   4 1721.50 479.405   2
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   8   3   5 4188.87 594.065   2
   8  -3   5 4314.52 628.637   2
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   8   3   6 237.577 339.846   2
   8  -3   6 62.3433 301.961   2
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   8   3   7 2516.21 532.200   2
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   8  -3   7 3088.13 592.660   2
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   8   3   8-138.175 409.212   2
   8  -3   8-192.881 400.635   2
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   8   4 -10-224.387 420.233   8
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   8  -4  -9 1266.92 482.419   3
   8   4  -9 2402.75 586.942   3
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   8  -4  -8 3767.18 594.323   3
   8   4  -8 4640.48 674.812   3
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  -8   4   7 170.403 299.375  12
   8  -4  -7 491.486 412.689   3
   8   4  -7 185.642 349.630   3
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   8  -4  -6 4385.12 621.646   3
   8   4  -6 4095.64 601.764   3
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   8   4  -6 3811.55 567.210   7
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   8  -4  -5 1212.39 418.812   3
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   8   4  -5 1525.14 437.765   7
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   8  -4  -4 11283.8 717.871   7
   8   4  -4 10108.4 820.856   7
   8  -4  -4 9806.53 793.516   3
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   8  -4  -3 3805.44 512.397   3
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   8  -4  -3 4645.13 484.224   7
   8   4  -3 3883.62 558.026   7
   8   4  -2 44.6847 224.748   2
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   8  -4  -2 233.289 229.670   2
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   8  -4  -2 297.610 250.767   5
   8  -4  -2-292.508 313.271   3
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   8  -4  -2-134.777 253.350   7
   8   4  -2-110.256 307.696   7
   8  -4  -1 10062.1 697.865   5
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   8   4  -1 9824.42 731.293   2
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   8  -4  -1 8832.20 650.161   2
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   8   4   0 4476.05 521.774   2
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   8  -4   0 4602.45 485.316   5
   8  -4   0 6110.91 581.124   2
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   8   4   1 3975.29 543.544   2
   8  -4   1 2859.53 400.468   5
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   8  -4   1 2932.77 445.541   2
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   8   4   2 1007.25 370.220   2
   8  -4   2 661.071 263.134   5
   8  -4   2 1327.58 401.623   2
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   8   4   3 147.970 340.141   2
   8  -4   3 410.309 293.285   5
   8  -4   3 528.844 367.260   2
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   8  -4   4 20169.9 974.319   5
   8   4   4 17018.3 1097.17   2
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  -8  -4  -4 16636.4 1051.20  15
   8  -4   4 19885.7 1150.47   2
  -8  -4  -4 18644.7 1141.41   1
  -8  -4  -5 90.4044 348.271   1
   8   4   5 492.600 404.552   2
   8  -4   5 207.236 312.924   2
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   8   4   6 3277.54 593.576   2
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   8  -4   6 2617.67 567.866   2
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   8   4   7-126.473 375.114   2
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   8  -4   7 1190.63 486.777   2
  -8   4  -7 57.1223 296.832   1
   8   4   8 4961.21 686.104   2
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  -8   5  10 364.439 339.462  12
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  -8   5  10 905.410 357.152   9
  -8   5   9 1764.59 457.791  12
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  -8   5   9 2229.48 549.226  11
   8  -5  -9 2453.00 569.351   3
   8   5  -9 3070.63 613.499   3
  -8   5   9 2308.83 497.712   9
  -8  -5   9 1488.65 489.031   9
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  -8   5   8 2904.73 600.125  11
   8  -5  -8 2606.62 545.865   3
   8   5  -8 2714.26 530.645   3
  -8   5   8 2904.60 503.176   9
  -8  -5   8 3664.48 626.088   9
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   8   5  -7 901.245 430.642   3
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   8  -5  -6 6819.84 734.993   3
   8   5  -6 7302.31 768.121   3
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   8   5  -6 7893.21 786.730   7
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   8   5  -5 14047.5 987.813   7
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   8  -5  -5 14400.4 974.257   3
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   8   5  -4 4391.25 593.161   7
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   8   5   3 3611.87 557.366   2
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   8   5   5 6556.92 754.410   2
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   8  -5   5 7092.79 642.287   5
   8  -5   5 7705.16 783.131   2
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   8   5   6 2385.53 526.788   2
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   8   5   7 1406.63 444.094   2
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   8  -5   7 1141.66 408.766   2
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   8  -6  -9-150.559 378.495   3
   8   6  -9 1052.26 491.754   3
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   8  -6  -8 731.763 473.448   3
   8   6  -8 451.236 342.041   3
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   8  -6  -7-254.188 383.858   3
   8   6  -7-385.763 410.236   3
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   8  -6  -6 5538.55 658.703   3
   8   6  -6 6541.52 754.668   3
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   8   6  -6 6630.92 743.317   7
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   8  -6  -5 1370.95 403.166   3
   8  -6  -5 2144.03 367.533  16
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   8   6  -5 2661.96 500.047   7
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   8  -6  -4 7837.54 703.942   3
   8  -6  -4 7137.84 581.135  16
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   8   6  -4 7652.85 758.962   7
   8   6  -4 6832.11 589.387   2
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   8   6  -3 11246.2 875.287   7
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   8   6  -2 1609.55 353.363   2
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   8  -6  -2 1571.52 297.458   2
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   8   6  -2 1362.51 384.366   7
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   8   6  -1 4421.93 518.403   2
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   8  -6  -1 4428.35 518.267   5
   8  -6  -1 4730.24 506.311   2
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   8   6   0 4998.49 591.368   2
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   8   6   1 584.365 354.021   2
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   8  -6   1-81.3819 286.322   5
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   8  -6   1 583.264 313.189   2
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   8   6   2 2619.97 516.890   2
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   8   6   3 2845.95 538.433   2
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   8  -6   3 2535.00 495.407   2
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   8   6   4 1309.04 428.183   2
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   8  -6   4 1417.73 449.780   2
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   8   6   5 353.463 388.370   2
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   8  -6   5 745.885 347.345   5
   8  -6   5 200.106 397.952   2
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   8   6   6 14304.8 1076.24   2
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   8  -6   6 14394.5 1056.90   2
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   8   6   7 2341.20 501.569   2
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   8  -6   7 2106.51 501.343   2
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   8  -7  -9 2554.56 576.645   3
   8   7  -9 2334.49 570.699   3
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   8  -7  -8-80.8389 327.133   3
   8   7  -8 161.103 324.540   3
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   8  -7  -7 1039.26 403.921   3
   8   7  -7 115.978 348.382   3
   8  -7  -7 466.364 311.487  16
  -8   7   7 551.033 291.974   9
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   8  -7  -6 1722.14 458.858   3
   8  -7  -6 2071.29 382.367  16
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   8   7  -6 1994.44 504.992   7
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   8  -7  -5 6399.94 681.388   3
   8  -7  -5 6827.55 602.706  16
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   8   7  -5 6315.95 730.788   7
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   8  -7  -4 1769.26 400.910   3
   8  -7  -4 1542.41 383.627   5
   8  -7  -4 1894.86 396.389  16
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   8   7  -4 2698.18 521.858   7
   8   7  -4 2134.35 396.636   2
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   8  -7  -3 1226.78 362.462   5
   8  -7  -3 1709.84 368.017   3
   8  -7  -3 1724.24 332.551  16
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   8   7  -3 1481.80 443.019   7
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   8   7  -3 1396.44 349.063   2
   8  -7  -2 550.033 296.291   5
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   8  -7  -2 656.419 290.374   3
   8  -7  -2 334.155 191.158   2
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   8  -7  -2-47.5005 209.596  16
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   8   7  -2 513.419 398.491   7
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   8   7  -2 275.022 300.324   2
   8   7  -1 2720.28 479.205   2
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   8  -7  -1 1993.00 411.895   5
   8  -7  -1 1815.71 348.560   3
   8  -7  -1 1726.64 342.628   2
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   8   7   0 2093.51 470.521   2
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   8  -7   0 2409.15 446.567   5
   8  -7   0 1568.17 321.542   3
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   8  -7   1 12539.0 837.167   5
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   8   7   1 12641.4 905.716   2
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   8   7   2-366.725 374.698   2
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   8  -7   2 306.002 319.311   5
  -8   7  -2-201.871 262.740   4
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   8   7   3 447.721 355.166   2
   8  -7   3 344.182 292.384   5
  -8   7  -3-129.587 256.879   1
  -8   7  -3 323.984 254.002   4
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   8   7   4 119.740 346.202   2
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   8  -7   4 197.503 297.773   5
  -8   7  -4 27.1017 234.868   1
  -8  -7  -4 629.893 319.065  10
  -8   7  -4 112.626 266.421   4
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   8   7   5 5263.96 692.328   2
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   8  -7   5 5349.22 620.213   5
  -8   7  -5 4625.75 538.258   1
  -8   7  -5 4373.63 601.897   4
  -8  -7  -5 5391.49 653.477  15
   8   7   6 327.562 341.812   2
   8  -7   6 845.367 346.287   5
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  -8   7  -6 692.639 406.976   4
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   8   7   7 1245.96 442.008   2
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   8  -7   7 2547.51 526.499   2
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   8  -8  -9 369.430 473.767   3
   8   8  -9 541.886 414.612   3
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  -8   8   8 4.96962 398.696  12
  -8   8   8 312.738 401.478  11
   8  -8  -8 130.661 393.450   3
   8   8  -8-195.978 368.343   3
   8  -8  -8 273.621 283.499  16
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  -8  -8   8-68.1138 349.261  15
  -8   8   7 195.785 365.787  12
   8  -8  -7-31.3290 371.645   3
   8   8  -7 278.926 350.979   3
   8  -8  -7-37.7540 290.730  16
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  -8   8   7 44.1609 299.976   6
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  -8   8   6 2531.09 545.838  12
   8  -8  -6 2369.09 477.254   3
   8  -8  -6 2964.30 465.498  16
  -8  -8   6 2204.01 511.003  15
   8   8  -6 1541.82 472.523   7
  -8   8   6 2053.42 481.744   6
  -8  -8   5 1183.68 389.795   1
  -8   8   5 1213.52 454.145  12
   8  -8  -5 565.279 337.781   3
   8  -8  -5 932.243 330.485  16
  -8  -8   5 1130.41 436.017  15
   8   8  -5 1702.74 496.686   7
  -8   8   5 354.399 361.555   6
  -8   8   4 3013.62 545.246  12
  -8  -8   4 3059.14 513.527   1
   8  -8  -4 2688.03 461.499   3
   8  -8  -4 3704.73 556.214   5
   8  -8  -4 2505.74 409.598  16
  -8  -8   4 2980.95 530.543  15
   8   8  -4 4290.90 598.031   7
   8   8  -4 3068.50 472.257   2
  -8   8   4 3504.02 566.636   6
  -8   8   3-103.683 337.896  12
  -8  -8   3-104.838 306.705   1
   8  -8  -3 375.103 293.357   3
   8  -8  -3 755.239 363.825   5
   8  -8  -3 334.130 246.033  16
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   8   8  -3-148.140 323.905   7
   8   8  -3 147.855 263.743   2
  -8   8   3 95.1377 334.750   6
   8  -8  -2 3711.78 522.740   5
   8  -8  -2 3353.86 446.732   3
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   8  -8  -2 2335.56 351.490   2
   8  -8  -2 2332.36 372.685  16
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   8   8  -2 2977.62 528.866   7
  -8   8   2 3437.87 536.811   6
   8   8  -2 3086.30 477.649   2
   8  -8  -1 911.429 348.859   5
   8  -8  -1 1256.01 305.893   3
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  -8   8   1 753.841 324.697   1
   8   8  -1 1142.06 389.322   2
   8  -8   0 12477.9 872.694   5
  -8   8   0 11749.1 833.822   1
   8   8   0 12693.5 906.178   2
  -8  -8   0 13130.0 933.086   1
  -8  -8   0 11410.2 934.838  15
  -8   8   0 13288.2 883.378  14
  -8   8   0 12467.6 958.791   6
   8   8   1 1499.28 409.724   2
  -8   8  -1 1282.88 353.287   1
   8  -8   1 1493.74 405.080   5
  -8   8  -1 1394.76 339.599   4
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  -8   8  -1 1678.50 421.275  14
  -8  -8  -1 1631.88 436.501   1
  -8   8  -1 2094.46 466.837   6
   8   8   2 4171.77 603.339   2
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   8  -8   2 3095.65 480.130   5
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   9   0 -10-465.528 362.561   8
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   9   0   5 1691.81 446.238   2
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   9  -1  -2 10161.5 772.477   7
   9   1  -2 10740.4 839.349   7
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   9   1   0 2273.65 430.947   2
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   9  -1   1 274.632 279.405   2
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   9   1   2 3611.02 541.925   2
   9  -1   2 3456.14 504.039   2
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   9   1   3 1979.59 496.301   2
   9  -1   3 2472.69 493.001   2
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   9   1   4 2969.37 530.557   2
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   9   1   5 807.236 434.762   2
   9  -1   5 448.142 368.839   2
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   9   1   6 51.3112 342.517   2
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   9  -2  -8 3993.11 699.084   3
   9   2  -8 3051.67 640.503   3
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   9  -2  -7 5682.82 742.164   3
   9   2  -7 6505.79 804.124   3
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   9  -2  -6-32.3063 354.564   3
   9   2  -6 613.416 405.132   3
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   9   2  -6 427.152 369.883   7
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   9  -2  -5 810.686 382.862   3
   9   2  -5 1462.71 429.472   3
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   9  -2  -5 1881.03 422.553   7
   9   2  -5 426.943 302.719   7
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   9  -2  -4 1858.00 464.635   3
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   9  -2  -4 2035.51 378.653   7
   9   2  -4 2906.32 506.207   7
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   9  -2  -3 2176.93 471.548   3
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   9  -2  -3 2519.33 414.528   7
   9   2  -3 2298.42 453.222   7
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   9   2   1-51.2312 302.341   2
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   9   3   2 1534.11 436.715   2
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   9   3   3 3309.21 546.555   2
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   9  -3   5 2397.93 552.673   2
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   9   3   6 1369.03 484.785   2
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   9  -4  -8 3880.41 679.851   3
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   9   4  -7 2390.23 508.399   3
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   9  -4  -6 3410.01 596.742   3
   9   4  -6 2682.37 588.327   3
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   9   4  -6 2608.48 518.912   7
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   9   4  -5 12899.5 990.808   7
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   9  -4  -4 625.899 360.926   3
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   9   4  -3 1106.09 407.374   7
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   9   4   1 53.3500 298.970   2
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   9   4   2 2618.93 514.880   2
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   9   4   3 5881.48 684.496   2
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   9   4   5 4441.06 685.689   2
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   9   5  -7 658.036 388.815   3
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   9   5  -6 4936.96 722.580   3
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   9   5  -6 5877.04 727.879   7
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   9   5  -2 621.159 381.449   7
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   9  -5  -1 627.912 288.566   5
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   9   5   0 2618.30 479.019   2
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   9  -5   0 1566.00 318.372   5
   9  -5   0 2185.16 395.677   2
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   9   5   1 477.496 359.410   2
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   9   5   2 2253.50 472.457   2
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   9   5   3 156.947 349.778   2
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   9  -5   3 295.471 319.093   2
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   9   5   4 3490.42 597.682   2
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   9   5   5 658.967 439.357   2
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   9  -6  -7 89.3936 373.052   3
   9   6  -7 267.496 337.023   3
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   9  -6  -6 4142.01 619.584   3
   9   6  -6 3952.43 662.966   3
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   9  -6  -5 6252.56 711.367   3
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   9  -6  -4 4080.62 572.124   3
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   9   6  -4 4359.79 648.886   7
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   9  -6  -3 3945.73 554.027   3
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   9   6  -3 5015.33 660.557   7
   9   6  -3 4457.92 552.591   2
   9   6  -2 163.226 291.245   2
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   9  -6  -2-528.486 311.820   5
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   9   6  -2 379.673 341.227   7
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   9   6  -1 524.789 296.416   2
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   9  -6  -1-3.79792 277.170   5
   9  -6  -1 237.896 268.790   2
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   9  -6  -1 875.745 310.147   3
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   9   6   0 289.391 307.805   2
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   9  -6   0 171.514 289.536   5
   9  -6   0 328.675 316.678   2
   9  -6   0 567.458 317.327   3
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   9   6   1 6662.73 717.035   2
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   9  -6   1 6715.98 629.795   5
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   9   6   2 415.255 363.826   2
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   9   6   3 402.954 407.578   2
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   9  -6   3 223.516 320.318   2
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   9   6   4 449.354 387.929   2
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   9  -6   4 997.542 426.759   2
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   9   6   5 6254.01 780.274   2
   9  -6   5 5519.76 712.680   2
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   9  -7  -8 2490.68 516.856   3
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   9  -7  -7 291.526 371.990   3
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   9   7  -7-22.7109 432.130   7
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  -9   7   6-116.303 354.034  12
   9  -7  -6 432.205 346.603   3
   9   7  -6 106.618 365.251   3
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   9   7  -6 548.099 396.764   7
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   9  -7  -5 891.911 405.892   3
   9  -7  -5 460.216 354.893   5
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   9   7  -5 1096.61 476.412   7
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   9  -7  -4 8329.78 770.406   5
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   9   7  -4 8358.75 852.398   7
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   9  -7  -4 9387.39 813.940   3
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   9  -7  -3 1699.34 396.732   5
   9  -7  -3 1821.70 395.360   3
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   9   7  -3 1285.47 425.648   7
   9   7  -3 2362.43 445.276   2
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   9  -7  -2 92.1045 270.981   5
   9  -7  -2 97.0857 262.638   3
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   9   7  -2 875.893 416.082   7
   9   7  -2 146.861 261.638   2
   9   7  -1 539.628 310.534   2
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   9  -7  -1 229.345 267.405   5
   9  -7  -1 210.279 256.317   2
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   9  -7   0 8671.93 742.261   5
   9  -7   0 8605.51 719.839   2
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   9   7   0 9809.92 839.489   2
  -9  -7   0 9300.77 888.484  15
   9   7   1 337.324 321.697   2
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   9  -7   1 100.956 300.701   5
   9  -7   1 1088.00 400.128   2
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   9   7   2 4020.45 611.338   2
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   9  -7   2 4292.08 568.315   5
   9  -7   2 4789.41 596.221   2
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   9   7   4-251.509 339.011   2
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   9   9  -4 7019.39 797.910   7
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   9   9  -3 542.673 399.874   7
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   9  -9   4 103.437 314.746   5
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   9 -15  -3 879.857 397.950  16
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  10   2  -2 4309.85 596.664   7
  10   2  -1 717.427 328.850   2
 -10   2   1 1078.17 482.896   1
 -10  -2   1 1660.45 464.504   1
  10  -2  -1 1243.17 386.855   7
  10   2   0 2778.46 494.725   2
 -10   2   0 2139.10 496.147   1
  10  -2   0 2297.94 440.699   2
 -10  -2   0 2665.56 558.103   1
  10   2   1 2114.64 477.142   2
  10  -2   1 2154.84 447.060   2
 -10   2  -1 2862.35 551.506   1
 -10  -2  -1 2102.33 508.774   1
  10   2   2 836.169 415.632   2
  10  -2   2 664.204 384.725   2
 -10   2  -2 739.709 367.163   1
 -10  -2  -2 389.548 363.999   1
  10   2   3 1448.23 485.755   2
  10  -2   3 1862.97 508.997   2
 -10   2  -3 811.820 414.314   1
 -10  -2  -3 1497.12 488.464   1
  10  -2   4 4843.93 679.811   2
 -10   2  -4 5035.99 680.287   1
 -10   2  -5-80.2852 306.929   1
 -10   3   7 3986.08 620.255  12
 -10   3   6 493.758 369.265  12
  10  -3  -6 1106.30 469.550   3
 -10  -3   6 523.184 434.471  15
  10   3  -6 658.889 398.727   7
 -10  -3   5 2749.27 569.946   1
 -10   3   5 3211.59 564.500  12
  10  -3  -5 3514.97 599.940   3
  10   3  -5 3158.54 595.167   3
 -10  -3   5 2157.31 553.296  15
  10   3  -5 2378.04 514.206   7
 -10  -3   4 251.562 383.978   1
  10  -3  -4 715.156 386.166   3
 -10  -3   4 298.689 455.426  15
  10   3  -4-177.339 346.148   7
 -10   3   3 1707.89 492.121   1
 -10  -3   3 860.736 420.921   1
  10  -3  -3 1387.36 440.047   3
 -10  -3   3 1909.25 480.336  15
  10   3  -3 1661.14 462.251   7
 -10   3   2 904.998 439.841   1
 -10  -3   2 620.088 431.602   1
 -10  -3   2 1217.17 494.059  15
  10   3  -2 227.089 328.547   7
  10   3  -1 4051.43 560.697   2
 -10   3   1 2502.14 514.746   1
 -10  -3   1 3403.46 574.696   1
 -10  -3   1 3180.82 612.092  15
  10   3   0 1010.60 370.492   2
 -10   3   0 1343.17 419.525   1
  10  -3   0 370.311 324.778   2
 -10  -3   0 1356.94 478.050   1
 -10  -3   0 871.582 495.446  15
  10   3   1 52.4109 308.050   2
 -10   3  -1 586.686 354.996   1
  10  -3   1-35.5605 335.569   2
 -10  -3  -1-319.143 332.803   1
  10   3   2 3698.70 609.872   2
  10  -3   2 3336.26 537.767   2
 -10   3  -2 3595.42 586.693   1
 -10  -3  -2 3822.71 568.499   1
  10   3   3 5738.03 709.783   2
  10  -3   3 5608.45 710.122   2
 -10   3  -3 5843.50 689.214   1
 -10  -3  -3 5209.85 708.101   1
  10  -3   4 856.873 450.152   2
 -10   3  -4 622.015 375.079   1
 -10   3  -5 1457.15 441.597   1
 -10   4   7 280.797 332.932  12
 -10   4   6 6163.69 725.981  12
  10  -4  -6 8234.96 886.711   3
  10   4  -6 5374.45 745.633   7
 -10   4   5 712.901 387.104  12
  10  -4  -5 1632.99 501.936   3
 -10  -4   5 1386.64 462.700  15
  10   4  -5 2099.31 522.816   7
 -10  -4   4 472.224 433.186   1
  10  -4  -4 698.635 375.457   3
 -10  -4   4 276.764 358.268  15
  10   4  -4 224.356 336.857   7
 -10  -4   3 266.156 371.877   1
  10  -4  -3 395.957 348.990   3
 -10  -4   3 731.591 444.037  15
  10   4  -3 44.4026 345.221   7
 -10   4   3 622.957 392.968   1
 -10   4   2 1545.48 432.509   1
 -10  -4   2 2242.30 518.793   1
  10  -4  -2 1767.45 420.945   3
 -10  -4   2 2300.79 587.899  15
  10   4  -2 1744.13 492.148   7
  10   4  -1-398.810 344.774   2
 -10   4   1 101.639 360.306   1
 -10  -4   1 602.073 362.816   1
  10  -4  -1 441.847 351.256   3
 -10  -4   1 168.517 362.918  15
  10   4   0 438.199 348.572   2
 -10   4   0-186.729 342.683   1
  10  -4   0-514.759 295.506   2
 -10  -4   0 33.2305 366.758   1
 -10  -4   0 504.730 377.654  15
  10   4   1 221.938 290.534   2
 -10   4  -1-272.530 330.657   1
  10  -4   1-330.473 306.380   2
 -10  -4  -1 218.200 365.405   1
 -10  -4  -1 185.776 405.329  15
  10   4   2 4176.72 607.099   2
 -10   4  -2 2955.30 560.022   1
  10  -4   2 3874.00 574.377   2
 -10  -4  -2 3226.05 557.313   1
  10   4   3 801.911 436.583   2
  10  -4   3 1014.07 401.431   2
 -10   4  -3 1148.30 392.890   1
 -10   4  -4 3508.84 569.622   1
 -10   4  -5 774.363 368.028   1
 -10   5   6-20.2239 315.403  12
  10  -5  -6 59.9648 357.390   3
 -10   5   5 5519.99 725.085  12
  10  -5  -5 4723.36 668.383   3
  10   5  -5 5824.94 753.965   7
 -10  -5   4 191.757 349.593   1
  10  -5  -4 702.376 383.243   3
 -10  -5   4 1147.63 459.862  15
  10   5  -4-115.279 344.043   7
 -10  -5   3 3150.46 580.708   1
  10  -5  -3 4208.28 599.537   3
 -10  -5   3 4163.34 655.287  15
  10   5  -3 4087.02 628.697   7
 -10   5   2 1511.92 485.051   1
 -10  -5   2 1202.18 439.385   1
  10  -5  -2 477.421 320.888   3
 -10  -5   2 1789.66 521.940  15
  10   5  -2 794.689 424.119   7
  10   5  -1 791.251 358.952   2
 -10   5   1 1075.20 436.928   1
 -10  -5   1 411.531 366.534   1
  10  -5  -1 614.765 332.844   3
 -10  -5   1-106.893 384.931  15
  10   5  -1 1044.40 421.779   7
  10   5   0 1455.73 431.227   2
 -10   5   0 1327.80 409.832   1
  10  -5   0 1784.77 404.997   2
 -10  -5   0 1954.77 531.397   1
 -10  -5   0 1322.80 483.023  15
  10   5   1 1158.44 421.551   2
 -10   5  -1 1787.41 451.418   1
  10  -5   1 2015.57 457.299   2
 -10  -5  -1 1418.61 488.960   1
 -10  -5  -1 1860.29 483.679  15
  10   5   2-107.405 356.879   2
 -10   5  -2-66.0393 300.808   1
  10  -5   2-31.8903 315.363   2
 -10  -5  -2 598.474 437.726  15
  10   5   3 3106.81 573.201   2
 -10   5  -3 3984.91 593.620   1
  10  -5   3 3908.07 625.632   2
 -10  -5  -3 4384.97 666.447  15
 -10   5  -4-32.1110 296.585   1
 -10   5  -5 2427.36 498.638   1
  10  -6  -6 299.011 427.374   3
  10  -6  -6-93.5362 341.749   5
 -10   6   5 498.581 393.573  12
  10  -6  -5-54.8925 312.502   3
 -10  -6   4 5891.07 738.080   1
  10  -6  -4 6340.56 726.737   3
  10   6  -4 5989.69 752.860   7
 -10  -6   3 1295.70 435.575   1
  10  -6  -3 820.568 330.493   3
 -10  -6   3 1192.44 467.856  15
  10   6  -3 1180.46 414.604   7
 -10  -6   2-287.025 345.241   1
  10  -6  -2-198.885 299.617   3
 -10   6   2 227.945 379.970   1
 -10  -6   2 786.245 419.295  15
  10   6  -2 361.220 389.432   7
  10   6  -1 178.475 292.677   2
 -10   6   1 299.078 354.656   1
 -10  -6   1-58.2950 383.205   1
 -10  -6   1 769.353 418.507  15
  10   6  -1 437.568 399.985   7
  10   6   0 2468.32 501.615   2
 -10   6   0 2648.02 525.080   1
 -10  -6   0 2609.78 565.054   1
 -10  -6   0 2746.24 599.655  15
  10   6   1 3375.06 584.316   2
 -10   6  -1 3364.52 563.957   1
  10  -6   1 3161.87 542.343   2
 -10  -6  -1 4616.56 690.374   1
 -10  -6  -1 4010.96 672.477  15
  10   6   2 2915.90 566.942   2
 -10   6  -2 3181.28 538.816   1
  10  -6   2 2566.81 492.931   2
 -10  -6  -2 3884.67 668.234  15
 -10   6  -3-2.99079 282.388   1
  10  -6   3-192.721 374.108   2
 -10   6  -4 761.015 355.333   1
  10  -7  -6 375.218 392.451   3
  10  -7  -6-193.056 322.250   5
  10  -7  -5 2362.96 549.412   3
  10  -7  -5 1981.40 476.375   5
  10  -7  -4 679.576 391.301   3
  10  -7  -4 197.661 301.578   5
 -10  -7   3 5509.51 725.830   1
  10   7  -3 5722.24 762.353   7
 -10  -7   2 1324.90 471.793   1
  10   7  -2 553.907 375.936   7
 -10  -7   1 690.971 394.864   1
 -10  -7   1 1137.37 465.985  15
  10   7  -1 223.487 388.400   7
 -10   7   1 420.514 328.033   1
  10   7  -1 767.046 370.218   2
  10   7   0 221.131 324.199   2
 -10   7   0 679.667 385.218   1
 -10  -7   0 154.560 339.260   1
 -10  -7   0-88.8676 381.240  15
  10   7   1 10176.1 922.181   2
 -10   7  -1 8876.72 828.815   1
  10  -7   1 9838.32 845.399   2
 -10  -7  -1 7979.97 879.746  15
  10   7   2 486.100 371.220   2
 -10   7  -2 887.282 375.630   1
  10  -7   2 1177.25 468.603   2
 -10  -7  -2 1404.62 508.125  15
 -10   7  -3-64.5929 295.999   1
  10  -7   3 345.002 398.411   2
  10  -8  -6 376.962 391.513   3
  10  -8  -6-737.112 420.461   5
  10  -8  -5 326.777 344.904   3
  10  -8  -5-25.9984 315.997   5
  10  -8  -4 6506.84 720.913   5
  10  -8  -3 286.143 341.006   5
  10   8  -1-182.175 311.971   2
  10   8   0 6644.94 742.818   2
 -10   8   0 7311.58 767.647   1
  10   8   1 828.977 414.500   2
 -10   8  -1 502.585 344.110   1
  10  -8   1-259.456 280.536   2
 -10   8  -2 1756.33 441.128   1
  10  -8   2 1618.56 440.024   2
  10  -9  -5 1437.04 451.477   5
  10  -9  -4 12.7726 313.688   5
  10  -9  -3 2188.14 441.179   5
  10  -9  -2-53.6774 306.159   5
  10  -9  -1 390.086 340.201   5
  10   9  -1 1526.75 462.330   2
 -10   9   0 1168.15 420.679   1
  10   9   0 1032.44 448.120   2
  10   9   1 6025.00 757.224   2
  10  -9   1 5858.80 688.685   2
  10  -9   2 879.154 408.976   2
  10 -10  -4 2177.31 499.420   5
  10 -10  -3 261.604 365.280   5
  10 -10  -2 2508.97 536.575   5
  10 -10  -1-313.001 345.844   5
  10  10  -1 237.364 356.476   2
  10 -10   0 2500.56 515.670   5
  10  10   0 2315.08 530.259   2
  10 -10   2 4172.05 647.063   2
  10 -11  -2 2196.55 526.278   5
  10 -11  -1 670.527 365.110   5
  10  11  -1 298.132 341.293   2
  10 -11   0 1461.61 469.410   5
  11   0  -3-87.0995 310.441   7
  11   0  -2-221.137 329.423   7
  11   0  -1 9006.59 861.514   7
  11   0   1-241.750 345.890   2
  11   1  -4 766.170 404.641   7
  11   1  -3 194.239 349.157   7
  11   1  -2 3046.33 542.161   7
  11   1  -1 773.330 414.999   7
  11   1   1 366.498 366.592   2
  11  -1   1 541.351 376.263   2
  11   2  -3 379.306 352.901   7
  11  -2  -2 588.934 344.794   3
  11   2  -2 512.310 377.006   7
  11   2  -1 3251.53 563.403   7
  11   2   1 1067.98 419.149   2
  11  -2   1 818.647 387.981   2
  11  -3  -3-641.044 363.667   3
  11  -3  -2 1953.38 470.750   3
  11  -3  -1-399.873 347.497   3
  11   3   1 758.303 391.391   2
  11  -4  -3 4165.53 651.756   3
  11  -4  -2 2168.63 478.880   3
  11   4   0 2146.19 479.834   2
  11   5   0 1194.72 444.520   2
   0   0   0    0.00    0.00   0
;
_shelx_hkl_checksum              55445
_shelx_res_file
;
TITL Werner in P21/n
    shelx.res
    created by SHELXL-2019/3 at 09:44:31 on 24-Jan-2025
CELL 0.71073   7.859495  17.501877  10.674023  90.0000  94.5505  90.0000
ZERR    2.00   0.0003     0.0006     0.0003     0.0000   0.003    0.0000
LATT  1
SYMM 0.5-X , 0.5+Y, 0.5-Z
SFAC C H P S Br Pd
UNIT 44.00 100.00 4.00 4.00 4.00 2.00
L.S. 6
FMAP 2
PLAN 10
SIZE 0.2 0.08 0.05
TEMP -173
ACTA 60
CONF 2.5
BOND $H
REM Instructions for potential hydrogen bonds
HTAB C3 Br1
HTAB C11 S1
HTAB C21 S1
HTAB C32 S1
HTAB C22 Pd1
EQIV $2 x+1/2, -y+3/2, z+1/2
HTAB C12 S1_$2
EQIV $1 1-x, 1-y, 1-z
HTAB C21 Br1_$1
RTAB TORS S1_$1 S1 P1 C1
WGHT    0.010600    2.705600
FVAR       1.99179
PD1   6    0.500000    0.500000    0.500000    10.50000    0.01454    0.01546 =
         0.00854   -0.00076    0.00023    0.00066
BR1   5    0.426637    0.437147    0.693617    11.00000    0.03258    0.02237 =
         0.01082    0.00052    0.00328   -0.00486
S1    4    0.506715    0.619038    0.598365    11.00000    0.01916    0.01674 =
         0.01249   -0.00135   -0.00204    0.00229
P1    3    0.694378    0.638049    0.735328    11.00000    0.01593    0.02390 =
         0.01042   -0.00179    0.00149   -0.00459
C1    1    0.676649    0.744487    0.760377    11.00000    0.04974    0.02143 =
         0.01826   -0.00159   -0.00639   -0.01362
C2    1    0.906432    0.606155    0.686253    11.00000    0.01120    0.08557 =
         0.02197   -0.01520    0.00384    0.00059
C3    1    0.656585    0.584013    0.879393    11.00000    0.02087    0.01879 =
         0.01364    0.00086    0.00187    0.00136
AFIX  13
H3    2    0.643819    0.529579    0.851762    11.00000   -1.20000
AFIX   0
C11   1    0.486854    0.767952    0.759211    11.00000    0.06118    0.02011 =
         0.02688   -0.00592   -0.01327    0.00951
AFIX 137
H11A  2    0.479014    0.822916    0.775306    11.00000   -1.50000
H11B  2    0.432726    0.739706    0.824649    11.00000   -1.50000
H11C  2    0.428534    0.756105    0.676939    11.00000   -1.50000
AFIX   0
C12   1    0.768082    0.768604    0.885924    11.00000    0.05498    0.02949 =
         0.02254   -0.00351   -0.00387   -0.01645
AFIX 137
H12A  2    0.767553    0.824455    0.892452    11.00000   -1.50000
H12B  2    0.886187    0.750204    0.890819    11.00000   -1.50000
H12C  2    0.709110    0.746614    0.954975    11.00000   -1.50000
AFIX   0
C13   1    0.754032    0.787498    0.652154    11.00000    0.08936    0.04361 =
         0.02336    0.00736   -0.00548   -0.04075
AFIX 137
H13A  2    0.875993    0.775669    0.652991    11.00000   -1.50000
H13B  2    0.739078    0.842626    0.663040    11.00000   -1.50000
H13C  2    0.696157    0.771508    0.571718    11.00000   -1.50000
AFIX   0
C21   1    0.923519    0.626593    0.547133    11.00000    0.02893    0.11879 =
         0.02045   -0.02060    0.01148   -0.02117
AFIX 137
H21A  2    1.031394    0.606305    0.520980    11.00000   -1.50000
H21B  2    0.921907    0.682258    0.537176    11.00000   -1.50000
H21C  2    0.828103    0.604191    0.494919    11.00000   -1.50000
AFIX   0
C22   1    0.917155    0.519088    0.699119    11.00000    0.03032    0.09506 =
         0.03665   -0.02169   -0.00376    0.03511
AFIX 137
H22A  2    0.914052    0.504892    0.787721    11.00000   -1.50000
H22B  2    1.024007    0.501008    0.667953    11.00000   -1.50000
H22C  2    0.820267    0.495659    0.649915    11.00000   -1.50000
AFIX   0
C23   1    1.058191    0.645032    0.764002    11.00000    0.01727    0.13229 =
         0.03058   -0.01951    0.00390   -0.01305
AFIX 137
H23A  2    1.053169    0.632649    0.853171    11.00000   -1.50000
H23B  2    1.051007    0.700531    0.752609    11.00000   -1.50000
H23C  2    1.166053    0.626419    0.735231    11.00000   -1.50000
AFIX   0
C31   1    0.798665    0.583064    0.988228    11.00000    0.03128    0.03449 =
         0.01642   -0.00026   -0.00559    0.00337
AFIX 137
H31A  2    0.763606    0.550379    1.056143    11.00000   -1.50000
H31B  2    0.818221    0.635141    1.019900    11.00000   -1.50000
H31C  2    0.904217    0.563072    0.957619    11.00000   -1.50000
AFIX   0
C32   1    0.486575    0.604711    0.930183    11.00000    0.02582    0.03563 =
         0.01814    0.00401    0.00765    0.00226
AFIX 137
H32A  2    0.493743    0.656222    0.966213    11.00000   -1.50000
H32B  2    0.460738    0.567997    0.995351    11.00000   -1.50000
H32C  2    0.395990    0.603216    0.861626    11.00000   -1.50000
AFIX   0
HKLF 4
REM  Werner in P21/n
REM wR2 = 0.0648, GooF = S = 1.219, Restrained GooF = 1.219 for all data
REM R1 = 0.0392 for 3832 Fo > 4sig(Fo) and 0.0509 for all 4422 data
REM 141 parameters refined using 0 restraints
END
WGHT      0.0107      2.7023
REM Highest difference peak  1.023,  deepest hole -0.700,  1-sigma level  0.110
Q1    1   0.7799  0.6195  0.7346  11.00000  0.05    1.02
Q2    1   0.3965  0.4741  0.6736  11.00000  0.05    0.83
Q3    1   0.3743  0.4109  0.6584  11.00000  0.05    0.72
Q4    1   0.6414  0.5002  0.5068  11.00000  0.05    0.56
Q5    1   0.6437  0.6201  1.1012  11.00000  0.05    0.54
Q6    1   0.5937  0.6389  0.6181  11.00000  0.05    0.54
Q7    1   0.5598  0.6410  0.5428  11.00000  0.05    0.53
Q8    1   0.6659  0.6078  0.8140  11.00000  0.05    0.52
Q9    1   0.5168  0.4295  0.6971  11.00000  0.05    0.52
Q10   1   0.5590  0.6186  0.6811  11.00000  0.05    0.50
;
_shelx_res_checksum              72643
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.500000 0.500000 0.500000 0.01288(6) Uani d 1 . .
Br Br1 0.42664(4) 0.43715(2) 0.69362(2) 0.02184(7) Uani d 1 . .
S S1 0.50672(9) 0.61904(4) 0.59836(6) 0.01631(13) Uani d 1 . .
P P1 0.69438(9) 0.63805(4) 0.73533(6) 0.01672(14) Uani d 1 . .
C C1 0.6766(5) 0.74449(17) 0.7604(3) 0.0303(7) Uani d 1 . .
C C2 0.9064(4) 0.6062(3) 0.6863(3) 0.0394(9) Uani d 1 . .
C C3 0.6566(4) 0.58401(15) 0.8794(2) 0.0177(5) Uani d 1 . .
H H3 0.643819 0.529579 0.851762 0.021 Uiso calc 1 . .
C C11 0.4869(5) 0.76795(18) 0.7592(3) 0.0370(9) Uani d 1 . .
H H11A 0.479014 0.822916 0.775306 0.055 Uiso calc 1 . .
H H11B 0.432726 0.739706 0.824649 0.055 Uiso calc 1 . .
H H11C 0.428534 0.756105 0.676939 0.055 Uiso calc 1 . .
C C12 0.7681(5) 0.76860(19) 0.8859(3) 0.0360(8) Uani d 1 . .
H H12A 0.767553 0.824455 0.892452 0.054 Uiso calc 1 . .
H H12B 0.886187 0.750204 0.890819 0.054 Uiso calc 1 . .
H H12C 0.709110 0.746614 0.954975 0.054 Uiso calc 1 . .
C C13 0.7540(6) 0.7875(2) 0.6522(3) 0.0526(12) Uani d 1 . .
H H13A 0.875993 0.775669 0.652991 0.079 Uiso calc 1 . .
H H13B 0.739078 0.842626 0.663040 0.079 Uiso calc 1 . .
H H13C 0.696157 0.771508 0.571718 0.079 Uiso calc 1 . .
C C21 0.9235(5) 0.6266(3) 0.5471(3) 0.0556(13) Uani d 1 . .
H H21A 1.031394 0.606305 0.520980 0.083 Uiso calc 1 . .
H H21B 0.921907 0.682258 0.537176 0.083 Uiso calc 1 . .
H H21C 0.828103 0.604191 0.494919 0.083 Uiso calc 1 . .
C C22 0.9172(5) 0.5191(3) 0.6991(4) 0.0543(13) Uani d 1 . .
H H22A 0.914052 0.504892 0.787721 0.082 Uiso calc 1 . .
H H22B 1.024007 0.501008 0.667953 0.082 Uiso calc 1 . .
H H22C 0.820267 0.495659 0.649915 0.082 Uiso calc 1 . .
C C23 1.0582(5) 0.6450(3) 0.7640(4) 0.0599(14) Uani d 1 . .
H H23A 1.053169 0.632649 0.853171 0.090 Uiso calc 1 . .
H H23B 1.051007 0.700531 0.752609 0.090 Uiso calc 1 . .
H H23C 1.166053 0.626419 0.735231 0.090 Uiso calc 1 . .
C C31 0.7987(4) 0.58306(19) 0.9882(3) 0.0278(7) Uani d 1 . .
H H31A 0.763606 0.550379 1.056143 0.042 Uiso calc 1 . .
H H31B 0.818221 0.635141 1.019900 0.042 Uiso calc 1 . .
H H31C 0.904217 0.563072 0.957619 0.042 Uiso calc 1 . .
C C32 0.4866(4) 0.60471(18) 0.9302(3) 0.0262(6) Uani d 1 . .
H H32A 0.493743 0.656222 0.966213 0.039 Uiso calc 1 . .
H H32B 0.460738 0.567997 0.995351 0.039 Uiso calc 1 . .
H H32C 0.395990 0.603216 0.861626 0.039 Uiso calc 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
Pd1 0.01454(13) 0.01546(12) 0.00854(12) 0.00066(11) 0.00023(9) -0.00076(10)
Br1 0.03258(17) 0.02237(13) 0.01082(12) -0.00486(12) 0.00328(11) 0.00052(10)
S1 0.0192(3) 0.0167(3) 0.0125(3) 0.0023(2) -0.0020(2) -0.0014(2)
P1 0.0159(3) 0.0239(3) 0.0104(3) -0.0046(3) 0.0015(3) -0.0018(3)
C1 0.050(2) 0.0214(14) 0.0183(14) -0.0136(14) -0.0064(14) -0.0016(11)
C2 0.0112(15) 0.086(3) 0.0220(16) 0.0006(16) 0.0038(12) -0.0152(17)
C3 0.0209(14) 0.0188(12) 0.0136(12) 0.0014(10) 0.0019(10) 0.0009(10)
C11 0.061(3) 0.0201(15) 0.0269(17) 0.0095(15) -0.0133(16) -0.0059(12)
C12 0.055(2) 0.0295(16) 0.0225(16) -0.0164(16) -0.0039(15) -0.0035(13)
C13 0.089(3) 0.044(2) 0.0234(17) -0.041(2) -0.0055(19) 0.0074(15)
C21 0.029(2) 0.119(4) 0.0205(17) -0.021(2) 0.0115(15) -0.021(2)
C22 0.030(2) 0.095(4) 0.037(2) 0.035(2) -0.0038(16) -0.022(2)
C23 0.0173(18) 0.132(5) 0.031(2) -0.013(2) 0.0039(15) -0.020(2)
C31 0.0313(18) 0.0345(17) 0.0164(14) 0.0034(13) -0.0056(12) -0.0003(12)
C32 0.0258(16) 0.0356(17) 0.0181(14) 0.0023(13) 0.0077(12) 0.0040(12)
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Pd Pd -0.9988 1.0072 '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
S1 Pd1 S1 3_666 . 180.0 y
S1 Pd1 Br1 3_666 . 88.867(17) ?
S1 Pd1 Br1 . . 91.133(17) y
S1 Pd1 Br1 3_666 3_666 91.133(17) ?
S1 Pd1 Br1 . 3_666 88.867(17) y
Br1 Pd1 Br1 . 3_666 180.0 y
P1 S1 Pd1 . . 117.53(4) y
C3 P1 C2 . . 106.59(16) ?
C3 P1 C1 . . 111.60(13) ?
C2 P1 C1 . . 114.28(18) ?
C3 P1 S1 . . 111.18(10) y
C2 P1 S1 . . 111.32(11) y
C1 P1 S1 . . 101.95(11) y
C12 C1 C13 . . 109.6(3) ?
C12 C1 C11 . . 108.6(3) ?
C13 C1 C11 . . 107.6(3) ?
C12 C1 P1 . . 111.2(2) ?
C13 C1 P1 . . 109.7(2) ?
C11 C1 P1 . . 110.0(2) ?
C22 C2 C21 . . 108.0(3) ?
C22 C2 C23 . . 110.7(4) ?
C21 C2 C23 . . 106.9(3) ?
C22 C2 P1 . . 108.4(3) ?
C21 C2 P1 . . 110.3(3) ?
C23 C2 P1 . . 112.5(3) ?
C32 C3 C31 . . 109.7(2) ?
C32 C3 P1 . . 112.16(19) ?
C31 C3 P1 . . 118.4(2) ?
C32 C3 H3 . . 105.1 ?
C31 C3 H3 . . 105.1 ?
P1 C3 H3 . . 105.1 ?
C1 C11 H11A . . 109.5 ?
C1 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C1 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C1 C12 H12A . . 109.5 ?
C1 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C1 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C1 C13 H13A . . 109.5 ?
C1 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C1 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C2 C21 H21A . . 109.5 ?
C2 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C2 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C2 C22 H22A . . 109.5 ?
C2 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C2 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C2 C23 H23A . . 109.5 ?
C2 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C2 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C3 C31 H31A . . 109.5 ?
C3 C31 H31B . . 109.5 ?
H31A C31 H31B . . 109.5 ?
C3 C31 H31C . . 109.5 ?
H31A C31 H31C . . 109.5 ?
H31B C31 H31C . . 109.5 ?
C3 C32 H32A . . 109.5 ?
C3 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
C3 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
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
Pd1 S1 3_666 2.3317(6) ?
Pd1 S1 . 2.3317(6) y
Pd1 Br1 . 2.4501(3) y
Pd1 Br1 3_666 2.4501(3) ?
S1 P1 . 2.0202(10) y
P1 C3 . 1.849(3) ?
P1 C2 . 1.871(3) ?
P1 C1 . 1.889(3) ?
C1 C12 . 1.529(4) ?
C1 C13 . 1.544(5) ?
C1 C11 . 1.546(5) ?
C2 C22 . 1.532(6) ?
C2 C21 . 1.544(5) ?
C2 C23 . 1.555(5) ?
C3 C32 . 1.525(4) ?
C3 C31 . 1.546(4) ?
C3 H3 . 1.0000 ?
C11 H11A . 0.9800 ?
C11 H11B . 0.9800 ?
C11 H11C . 0.9800 ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C12 H12C . 0.9800 ?
C13 H13A . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C21 H21A . 0.9800 ?
C21 H21B . 0.9800 ?
C21 H21C . 0.9800 ?
C22 H22A . 0.9800 ?
C22 H22B . 0.9800 ?
C22 H22C . 0.9800 ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
C31 H31A . 0.9800 ?
C31 H31B . 0.9800 ?
C31 H31C . 0.9800 ?
C32 H32A . 0.9800 ?
C32 H32B . 0.9800 ?
C32 H32C . 0.9800 ?
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
C3 H3 Br1 . 1.00 2.81 3.638(3) 140.0 yes
C11 H11C S1 . 0.98 2.63 3.132(3) 112.0 yes
C21 H21C S1 . 0.98 2.85 3.366(4) 113.9 yes
C32 H32C S1 . 0.98 3.02 3.567(3) 116.5 yes
C22 H22C Pd1 . 0.98 2.87 3.778(4) 153.7 yes
C12 H12A S1 4_676 0.98 2.95 3.443(3) 112.4 yes
C21 H21C Br1 3_666 0.98 2.82 3.782(4) 167.7 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
Br1 Pd1 S1 P1 . . . . 67.56(4) ?
Br1 Pd1 S1 P1 3_666 . . . -112.44(4) ?
Pd1 S1 P1 C3 . . . . -72.48(10) ?
Pd1 S1 P1 C2 . . . . 46.20(16) ?
Pd1 S1 P1 C1 . . . . 168.46(11) ?
C3 P1 C1 C12 . . . . 43.8(3) ?
C2 P1 C1 C12 . . . . -77.2(3) ?
S1 P1 C1 C12 . . . . 162.6(2) ?
C3 P1 C1 C13 . . . . 165.2(2) ?
C2 P1 C1 C13 . . . . 44.2(3) ?
S1 P1 C1 C13 . . . . -76.0(3) ?
C3 P1 C1 C11 . . . . -76.6(2) ?
C2 P1 C1 C11 . . . . 162.3(2) ?
S1 P1 C1 C11 . . . . 42.1(2) ?
C3 P1 C2 C22 . . . . 43.3(3) ?
C1 P1 C2 C22 . . . . 167.0(2) ?
S1 P1 C2 C22 . . . . -78.1(3) ?
C3 P1 C2 C21 . . . . 161.3(3) ?
C1 P1 C2 C21 . . . . -74.9(3) ?
S1 P1 C2 C21 . . . . 39.9(3) ?
C3 P1 C2 C23 . . . . -79.4(3) ?
C1 P1 C2 C23 . . . . 44.3(4) ?
S1 P1 C2 C23 . . . . 159.2(3) ?
C2 P1 C3 C32 . . . . 179.9(2) ?
C1 P1 C3 C32 . . . . 54.5(3) ?
S1 P1 C3 C32 . . . . -58.6(2) ?
C2 P1 C3 C31 . . . . 50.6(3) ?
C1 P1 C3 C31 . . . . -74.8(3) ?
S1 P1 C3 C31 . . . . 172.08(19) ?