#------------------------------------------------------------------------------
#$Date: 2023-06-29 17:43:18 +0200 (Thu, 29 Jun 2023) $
#$Revision: 284690 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/27/2022783.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_2022783
loop_
_publ_author_name
'Abu-Zaied, Mamdouh A.'
'Hebishy, Ali M. S.'
'Elgemeie, Galal H.'
'Salama, Hagar T.'
'Jones, Peter G.'
_publ_section_title
;
 Crystal structure of
 5-(\b-D-glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
;
_journal_coeditor_code           YZ2035
_journal_issue                   7
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989023005248
_journal_volume                  79
_journal_year                    2023
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C15 H19 N3 O5 S2'
_chemical_formula_sum            'C15 H19 N3 O5 S2'
_chemical_formula_weight         385.45
_chemical_name_common
5-(\b-<i>D</i>-Glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
_chemical_name_systematic
5-[(\b-<i>D</i>-Glucopyranosyl)sulfanyl]-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 91.4183(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.23840(6)
_cell_length_b                   7.43550(10)
_cell_length_c                   18.32032(17)
_cell_measurement_reflns_used    61296
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      77.4830
_cell_measurement_theta_min      2.4120
_cell_volume                     849.539(16)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2021)
;
_computing_molecular_graphics
;
XP (Siemens, 1994)
;
_computing_publication_material
;
<i>SHELXL2018/3</i> (Sheldrick, 2015a)
;
_computing_structure_refinement
;
<i>SHELXL2018/3</i> (Sheldrick, 2015a)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015b)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0102
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            70354
_diffrn_reflns_theta_full        77.000
_diffrn_reflns_theta_max         77.276
_diffrn_reflns_theta_min         2.412
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.141
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2021)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_description       plate
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.300
_refine_diff_density_min         -0.206
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 1554 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   -0.006(5)
_refine_ls_extinction_coef       0.0009(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2018/3 (Sheldrick, 2015a)
;
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3520
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0191
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+0.2573P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0496
_refine_ls_wR_factor_ref         0.0497
_reflns_number_gt                3502
_reflns_number_total             3520
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yz2035sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2022783
_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   0.744
_shelx_estimated_absorpt_t_max   0.940
_shelx_hkl_file
;
   0  -9   0 43.3667 49.0225  14
   0  -9   0 117.082 49.7886   8
   0  -9   1 12342.7 376.875  14
   0  -9  -1 13168.1 379.484   8
   0  -9  -1 12465.3 384.473 122
   0  -9  -2 6304.89 217.723  14
   0  -9   2 6425.62 217.915   8
   0  -9  -2 6260.01 215.733   8
   0  -9   2 5934.89 214.349  14
   0  -9   3 2983.96 124.997   8
   0  -9  -3 2729.95 129.197 122
   0  -9  -3 2936.77 132.457 102
   0  -9  -4 299.738 52.2407 102
   0  -9   4 348.639 53.8231 136
   0  -9   5 2667.43 109.738 165
   0  -9   5 2839.85 122.945 136
   0  -9   6 5484.64 186.710 136
   0  -8   0 20249.3 633.704  11
   0  -8   0 20407.1 635.178  12
   0  -8   0 19948.1 633.813  14
   0  -8   0 19747.7 631.552   8
   0  -8   0 20616.0 646.602 122
   0  -8   0 19082.2 596.484 165
   0  -8   0 20647.4 645.157 144
   0  -8   1 7712.48 314.139  14
   0  -8   1 8244.87 320.235  12
   0  -8  -1 8076.52 318.991  11
   0  -8  -1 7644.88 311.183   8
   0  -8   1 8479.67 325.019 102
   0  -8  -1 7611.67 321.122 122
   0  -8   1 7905.60 321.237 122
   0  -8  -1 7800.73 320.844 144
   0  -8   1 7752.77 296.855 133
   0  -8   1 8314.76 323.876 144
   0  -8   1 8373.80 298.627 165
   0  -8  -2 6789.79 277.250  14
   0  -8   2 6476.12 275.127   8
   0  -8   2 7039.73 279.547  12
   0  -8   2 6523.49 274.790  11
   0  -8   2 6477.48 274.672  14
   0  -8  -2 6892.06 275.948   8
   0  -8  -2 6149.29 272.453  11
   0  -8   2 6308.71 274.919 122
   0  -8   2 6483.28 275.822 102
   0  -8  -2 6165.35 275.985 102
   0  -8   2 6752.60 269.225 133
   0  -8   2 6693.05 262.519 165
   0  -8  -2 6342.81 280.009 144
   0  -8  -3 3468.77 180.949  14
   0  -8  -3 3312.58 178.217   8
   0  -8  -3 3525.82 184.081  12
   0  -8   3 3024.96 174.149  11
   0  -8   3 3686.78 187.145  12
   0  -8   3 3626.89 182.195   8
   0  -8  -3 3410.64 179.364  11
   0  -8   3 3401.49 179.149  14
   0  -8   3 3200.42 180.086 122
   0  -8  -3 3136.31 184.736 102
   0  -8   3 3470.23 183.536 102
   0  -8  -3 3455.41 189.635 122
   0  -8  -3 3296.46 184.940 144
   0  -8   3 3137.55 170.186 165
   0  -8   3 3063.31 174.161 133
   0  -8  -4 4409.26 205.781  11
   0  -8  -4 4112.24 200.606  14
   0  -8  -4 4650.59 208.642  12
   0  -8   4 4276.30 201.841  12
   0  -8   4 4321.40 203.861  11
   0  -8   4 4356.25 202.510   8
   0  -8   4 4034.45 199.018  14
   0  -8  -4 4493.24 203.496   8
   0  -8  -4 4486.39 218.544 102
   0  -8  -4 4373.45 212.998 122
   0  -8   4 4419.73 207.690 122
   0  -8   4 4666.84 210.716 165
   0  -8  -4 4299.74 200.328 130
   0  -8   4 4592.19 213.184 133
   0  -8  -5 4211.56 190.892  11
   0  -8  -5 4127.13 186.687   8
   0  -8  -5 4389.96 191.404  14
   0  -8   5 4217.98 189.987  14
   0  -8   5 4297.09 189.538   8
   0  -8  -5 3790.44 197.560 102
   0  -8   5 3789.85 185.835 122
   0  -8  -5 3833.15 194.800 122
   0  -8  -5 3829.21 190.516 130
   0  -8   5 3749.12 190.573 165
   0  -8   5 4178.40 202.790 133
   0  -8  -6 6751.60 254.417   8
   0  -8   6 6821.37 255.932  14
   0  -8  -6 7073.84 256.938  14
   0  -8   6 7376.43 259.826   8
   0  -8  -6 7030.19 270.786 122
   0  -8  -6 6746.84 277.021 102
   0  -8  -6 6579.98 278.658 144
   0  -8  -6 7254.18 277.675 130
   0  -8   6 7083.21 281.897 133
   0  -8   6 7436.88 282.234 165
   0  -8   7 4059.10 159.275  14
   0  -8  -7 4023.44 158.432   8
   0  -8  -7 4153.97 183.256 102
   0  -8  -7 4199.22 174.936 122
   0  -8  -7 4007.77 184.423 130
   0  -8   7 3990.60 167.583 159
   0  -8   7 4199.01 188.390 165
   0  -8   7 4289.33 194.034 133
   0  -8  -7 4521.34 194.986 144
   0  -8  -8 20158.5 604.899 130
   0  -8  -8 19649.0 592.800 102
   0  -8  -8 20386.4 602.348 144
   0  -8   8 19247.8 604.684 136
   0  -8   8 19787.9 583.028 159
   0  -8   8 19795.4 606.988 133
   0  -8  -9 4101.37 180.023 130
   0  -8  -9 3675.25 163.806 102
   0  -8  -9 4229.10 174.434 144
   0  -8   9 3810.94 164.660 159
   0  -8   9 3903.21 180.526 136
   0  -8   9 4261.68 180.798 165
   0  -8 -10 10106.6 311.014 102
   0  -8 -10 10067.8 334.241 130
   0  -8  10 10207.0 333.819 136
   0  -8  10 9906.62 334.458 133
   0  -8  10 9996.58 319.189 159
   0  -8  10 10581.4 332.712 165
   0  -8 -10 10219.3 320.702 144
   0  -8 -11 10204.4 327.043 130
   0  -8  11 10866.5 329.877 133
   0  -8  11 10262.0 315.379 159
   0  -8  11 10047.7 321.217 165
   0  -8  11 10557.1 325.492 136
   0  -8  12 5866.04 182.721 165
   0  -8 -12 5342.65 186.020 130
   0  -7   0-96.6379 180.153   5
   0  -7   0 23.4812 74.8107   8
   0  -7   0-48.1361 166.159   3
   0  -7   0 307.165 110.735  15
   0  -7   0 23.5894 81.0507  12
   0  -7   0 15.8095 75.5533  14
   0  -7   0-39.1514 82.9440  11
   0  -7   0 88.7766 83.9628   9
   0  -7   0-48.8608 76.5550 128
   0  -7   0 33.9131 79.2535 122
   0  -7   0 6.76993 58.8122 130
   0  -7   0 168.519 88.5042 121
   0  -7   0 6.62641 63.6787 165
   0  -7   0-33.5804 82.8146 144
   0  -7  -1 2252.52 170.682  11
   0  -7  -1 2248.61 377.327   3
   0  -7   1 2406.15 388.461   5
   0  -7   1 2408.82 170.191  14
   0  -7  -1 2300.95 174.567  15
   0  -7  -1 2441.97 174.188   8
   0  -7   1 2683.95 181.237   9
   0  -7   1 2658.77 179.991  12
   0  -7  -1 2454.22 176.322 128
   0  -7  -1 2145.14 163.022 121
   0  -7   1 2258.66 168.949 122
   0  -7   1 2369.79 173.662 102
   0  -7  -1 2477.43 159.272 130
   0  -7  -1 2300.54 175.619 122
   0  -7   1 2347.52 166.680 128
   0  -7  -1 2560.66 176.290 144
   0  -7  -1 2353.32 171.313 158
   0  -7   1 2362.82 175.007 144
   0  -7  -1 2383.74 150.264 165
   0  -7   1 2444.59 161.551 165
   0  -7  -2 420.550 93.1806   8
   0  -7   2 530.810 99.2196  12
   0  -7  -2 466.121 92.0784  14
   0  -7   2 521.769 241.317   5
   0  -7  -2 570.494 222.533   5
   0  -7   2 523.063 212.253   3
   0  -7  -2 761.587 126.576  15
   0  -7   2 646.687 105.611  11
   0  -7   2 765.871 124.520  15
   0  -7   2 610.198 102.256   8
   0  -7   2 341.207 92.2399  14
   0  -7   2 602.166 105.449   9
   0  -7  -2 659.138 234.890   3
   0  -7  -2 399.151 107.776  11
   0  -7   2 537.255 94.4579 128
   0  -7  -2 460.029 97.2417 121
   0  -7   2 461.635 98.9326 102
   0  -7   2 474.917 97.3087 122
   0  -7  -2 496.000 98.8060 102
   0  -7  -2 356.030 85.9347 130
   0  -7   2 457.082 99.6943 144
   0  -7  -2 393.924 99.8947 158
   0  -7  -2 384.193 96.6461 144
   0  -7   2 336.423 70.3998 159
   0  -7  -2 465.265 77.0367 165
   0  -7   2 549.362 97.3225 165
   0  -7   3 5095.95 250.440  11
   0  -7  -3 4960.09 246.523   8
   0  -7   3 4625.25 241.920   8
   0  -7  -3 4398.21 506.961   5
   0  -7  -3 5243.08 248.136  14
   0  -7  -3 5422.74 255.539   9
   0  -7  -3 4356.70 504.559   3
   0  -7  -3 5099.75 250.821  12
   0  -7   3 5000.70 249.141   9
   0  -7   3 5142.91 250.339  14
   0  -7   3 5832.98 272.066  15
   0  -7   3 4578.31 514.752   5
   0  -7  -3 4941.81 248.381  11
   0  -7  -3 5923.94 274.316  15
   0  -7   3 4822.44 544.238   3
   0  -7   3 5206.94 250.174  12
   0  -7   3 5290.64 230.147 100
   0  -7  -3 4661.95 246.934 121
   0  -7  -3 4887.65 254.354 122
   0  -7  -3 5028.15 249.100 130
   0  -7   3 4721.50 246.464 122
   0  -7   3 5331.75 253.271 102
   0  -7   3 5006.30 242.081 128
   0  -7  -3 5223.10 261.992 144
   0  -7  -3 5000.95 261.941 158
   0  -7   3 4779.13 222.150 159
   0  -7   3 5129.97 247.683 165
   0  -7   3 5086.73 252.407 144
   0  -7   3 4863.62 240.819 131
   0  -7  -3 4607.55 205.299 165
   0  -7   4 8488.27 346.569  11
   0  -7   4 10718.5 390.799  15
   0  -7   4 8248.96 342.823   8
   0  -7  -4 8739.82 697.372   5
   0  -7  -4 7642.31 664.390   3
   0  -7   4 7640.13 671.115   3
   0  -7  -4 8645.07 346.126   8
   0  -7   4 7621.00 665.189   5
   0  -7   4 7942.95 340.189  14
   0  -7  -4 8861.98 348.677  11
   0  -7  -4 8650.00 345.190  14
   0  -7  -4 8527.00 346.149  12
   0  -7  -4 11574.5 395.579  15
   0  -7   4 8957.23 348.314  12
   0  -7  -4 8172.02 354.050 127
   0  -7  -4 8419.21 361.242 121
   0  -7  -4 8311.66 353.465 122
   0  -7   4 8994.21 355.842 102
   0  -7   4 8893.38 354.880 122
   0  -7   4 8945.59 333.655 100
   0  -7  -4 8430.26 353.052 130
   0  -7   4 9183.65 345.527 128
   0  -7   4 9036.25 357.719 165
   0  -7   4 8349.87 348.562 131
   0  -7   4 8888.75 334.378 159
   0  -7   4 8746.57 354.233 144
   0  -7  -4 8520.22 368.340 158
   0  -7  -5 22426.1 690.672  12
   0  -7   5 21801.4 687.157  14
   0  -7  -5 21320.1 684.161  14
   0  -7  -5 22592.5 690.758  11
   0  -7  -5 22068.6 687.000   8
   0  -7   5 21512.6 687.144   8
   0  -7   5 21767.2 686.984  11
   0  -7   5 22539.5 689.808  12
   0  -7  -5 21397.6 709.731 130
   0  -7  -5 21379.5 713.838 121
   0  -7   5 22012.4 695.075 122
   0  -7   5 23156.0 703.622 102
   0  -7   5 22332.1 681.891 128
   0  -7  -5 21832.9 702.893 122
   0  -7  -5 20631.0 703.997 127
   0  -7   5 21847.2 680.297 100
   0  -7   5 22513.3 687.900 159
   0  -7   5 22043.4 706.371 165
   0  -7  -5 21471.2 721.408 158
   0  -7   5 21289.4 703.161 131
   0  -7   6 6568.60 272.070   8
   0  -7   6 6791.26 272.241  12
   0  -7  -6 6201.59 267.662  14
   0  -7  -6 6201.59 268.823  11
   0  -7  -6 6450.56 271.461  12
   0  -7  -6 6708.44 271.059   8
   0  -7   6 6579.99 271.884  11
   0  -7   6 6155.30 265.527  14
   0  -7  -6 6115.92 296.208 121
   0  -7   6 6301.46 258.676 128
   0  -7   6 6204.75 269.318 100
   0  -7   6 6097.87 269.789 122
   0  -7  -6 6745.68 286.008 122
   0  -7  -6 6254.80 294.920 130
   0  -7   6 6312.89 245.256 141
   0  -7   6 6374.32 274.941 159
   0  -7   6 5977.05 286.036 131
   0  -7  -6 6839.29 301.736 144
   0  -7   7 9145.20 334.093   8
   0  -7  -7 9580.08 339.585  12
   0  -7   7 8786.42 329.480  12
   0  -7  -7 8962.85 333.579  11
   0  -7  -7 9268.48 336.024  14
   0  -7   7 8423.02 328.144  14
   0  -7   7 8865.98 332.568  11
   0  -7  -7 9402.74 335.775   8
   0  -7   7 9534.46 350.644 100
   0  -7   7 8923.33 338.125 122
   0  -7  -7 9655.52 379.593 130
   0  -7  -7 8890.26 346.663 122
   0  -7   7 9156.78 353.631 159
   0  -7   7 9331.03 323.933 141
   0  -7  -7 8994.11 377.316 158
   0  -7  -7 9481.63 370.646 144
   0  -7   8 3416.44 164.123   8
   0  -7   8 3194.16 162.210  14
   0  -7  -8 3252.50 162.015   8
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   1  -4  -2 12370.0 657.911   5
   1  -4  -2 11894.1 657.468   4
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   1  -4  -2 10907.0 348.828  62
   1  -4  -1 11236.8 359.163  74
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   1  -4  -1 11370.0 632.894   3
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   1  -4  -1 10086.1 613.461   4
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   1  -4   0 41789.4 1144.88  74
   1  -4   0 40693.6 1511.73   4
   1  -4   0 41577.3 1516.77   5
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   1  -4   0 43161.5 1528.08   3
  -1  -4   0 41091.1 1519.00   2
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   1  -4   0 43150.1 1160.54  84
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   1  -4   1 50020.6 1351.67  74
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   1  -4   1 49585.9 1743.70   5
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   1  -4   2 6617.29 233.464  74
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   1  -4   2 7432.17 496.732   5
   1  -4   2 6568.39 473.135   3
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   1  -4   2 6419.81 476.418   4
   1  -4   2 6694.71 248.847  84
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   1  -4   3 25657.1 747.773  84
   1  -4   3 25910.8 729.399  74
   1  -4   3 26711.7 752.625  80
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   1  -4   3 25655.4 1077.84   3
   1  -4   3 25148.4 1075.40   4
   1  -4   3 25689.0 1077.73   5
  -1  -4  -3 25503.6 1079.41   5
  -1  -4  -4 42368.2 1574.84  28
   1  -4   4 45608.6 1549.16  52
   1  -4   4 44287.0 1211.74  84
   1  -4   4 44012.8 1188.35  74
   1  -4   4 44204.1 1207.05  68
   1  -4   4 44475.1 1215.06  80
   1  -4   4 43112.1 1210.02  75
  -1  -4  -4 42046.4 1565.45   5
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   1  -4   4 42544.0 1562.08   3
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   1  -4   4 43553.8 1569.19   5
  -1  -4  -5 10698.1 632.513  28
   1  -4   5 12310.7 658.561   5
  -1  -4  -5 11129.7 633.891   5
  -1  -4  -5 11166.1 637.396   2
   1  -4   5 11578.9 654.179   3
  -1  -4  -5 10481.2 622.403   3
   1  -4   5 11679.8 395.009 164
   1  -4   5 11415.9 395.946 153
  -1  -4  -5 10847.2 385.553 149
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   1  -4   5 11586.1 382.995  97
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   1  -4   5 11186.3 617.826  52
   1  -4   5 11597.2 380.842  84
   1  -4   5 10941.9 375.931  90
  -1  -4  -5 11112.6 382.814  88
   1  -4   5 11293.4 379.963  75
   1  -4   5 11385.0 376.260  68
  -1  -4  -5 10759.6 363.710  77
   1  -4   5 11142.5 378.452  80
   1  -4   5 11700.3 355.656  74
   1  -4   5 11993.4 378.875  58
  -1  -4  -6 1225.59 215.347  28
   1  -4   6 1033.58 217.886   5
   1  -4   6 1253.52 219.231   3
  -1  -4  -6 798.509 189.514   5
  -1  -4  -6 1474.89 238.746   2
   1  -4   6 1453.21 121.832 163
  -1  -4  -6 1391.26 117.480 161
   1  -4   6 1749.24 130.588 153
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  -1  -4  -6 1521.48 111.789 139
  -1  -4  -6 1404.30 112.476 150
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   1  -4   6 1543.29 114.295  97
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   1  -4   6 1272.04 218.216  52
   1  -4   6 1434.08 113.712  93
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   1  -4   6 1659.76 120.013  84
   1  -4   6 1405.08 106.030  90
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   1  -4   6 1435.42 107.496  68
   1  -4   6 1484.58 108.597  72
   1  -4   6 1499.69 113.530  80
   1  -4   6 1497.76 110.260  75
   1  -4   6 1687.71 115.788  58
  -1  -4  -7 6422.36 469.257  28
   1  -4   7 6491.76 254.301  11
  -1  -4  -7 7004.59 262.517   9
   1  -4   7 6793.75 484.588   3
   1  -4   7 6951.59 258.974   8
  -1  -4  -7 7048.17 493.732   2
   1  -4   7 7556.32 496.920   5
  -1  -4  -7 6867.96 259.270  10
  -1  -4  -7 7342.60 275.865 148
  -1  -4  -7 7428.86 292.172 149
  -1  -4  -7 7091.43 280.506 150
   1  -4   7 7004.27 276.216 167
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   1  -4   7 7530.46 298.795 147
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  -1  -4  -7 7522.22 275.056  99
  -1  -4  -7 7063.95 283.368 105
   1  -4   7 7415.24 282.143 126
   1  -4   7 7126.37 281.961  97
  -1  -4  -7 7396.62 297.786 127
  -1  -4  -7 7551.35 285.892 111
  -1  -4  -7 7581.05 294.191 101
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   1  -4   7 7171.35 494.769  52
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   1  -4   7 7544.47 285.432  93
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   1  -4   7 7098.90 280.489  84
   1  -4   7 7034.66 277.388  90
   1  -4   7 7296.82 283.194  80
   1  -4   7 6936.64 276.769  72
   1  -4   7 7608.56 280.069  68
  -1  -4  -7 7120.76 269.505  77
   1  -4   7 7158.15 279.965  75
   1  -4   7 7270.91 279.411  58
  -1  -4  -8 8531.92 536.991  28
   1  -4   8 8883.74 542.355   5
  -1  -4  -8 8148.36 537.577   2
   1  -4   8 8932.35 550.264   3
  -1  -4  -8 8861.93 335.773 139
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   1  -4   8 8755.79 329.515 167
   1  -4   8 8586.20 343.268 147
  -1  -4  -8 8449.27 315.236 148
  -1  -4  -8 9198.20 342.051 161
  -1  -4  -8 8665.50 326.167 150
  -1  -4  -8 9308.78 347.415 166
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  -1  -4  -8 9020.07 336.882 124
  -1  -4  -8 8804.13 336.017 105
  -1  -4  -8 7909.46 322.516 106
   1  -4   8 8692.02 329.783  97
   1  -4   8 9320.85 338.637 126
   1  -4   8 8576.24 562.383  52
   1  -4   8 9117.89 332.536  84
   1  -4   8 8468.25 328.704  93
   1  -4   8 8743.21 329.114  90
  -1  -4  -8 8286.30 320.933  83
   1  -4   8 8824.80 314.894  94
  -1  -4  -8 8899.49 339.395  88
   1  -4   8 8587.00 328.915  72
   1  -4   8 9403.76 331.428  68
   1  -4   8 9063.44 334.241  75
   1  -4   8 9070.73 335.696  80
  -1  -4  -8 8239.14 312.236  77
   1  -4   8 9433.50 331.858  58
   1  -4   8 9220.14 333.240  55
   1  -4   9 3228.09 314.572   3
  -1  -4  -9 3430.23 193.087 139
   1  -4   9 3407.22 201.081 147
  -1  -4  -9 3376.13 172.533 148
  -1  -4  -9 3458.07 194.006 161
   1  -4   9 3403.78 194.061 163
   1  -4   9 3292.66 187.902 131
   1  -4   9 3260.54 185.119 167
  -1  -4  -9 3258.08 188.829 149
  -1  -4  -9 3285.65 190.897 105
   1  -4   9 3687.73 190.528  97
  -1  -4  -9 3656.31 200.194 101
  -1  -4  -9 3401.95 187.267 124
   1  -4   9 3549.20 190.151 126
  -1  -4  -9 3532.39 186.892 106
   1  -4   9 3396.25 403.536  42
   1  -4   9 3420.12 357.613  52
   1  -4   9 3421.21 187.991  84
   1  -4   9 3544.53 192.235  93
   1  -4   9 3465.71 187.807  90
  -1  -4  -9 3425.97 183.603  83
   1  -4   9 3446.09 176.172  94
  -1  -4  -9 3573.77 194.693  88
   1  -4   9 3869.74 189.037  68
  -1  -4  -9 3440.85 177.040  77
  -1  -4  -9 3521.19 172.335  69
   1  -4   9 3800.67 194.683  72
   1  -4   9 3550.08 188.181  55
   1  -4   9 3705.31 189.111  58
  -1  -4 -10 28.9447 69.1785 149
  -1  -4 -10 36.3855 66.4777 161
   1  -4  10 47.3675 76.2856 147
   1  -4  10 79.5698 77.9820 131
  -1  -4 -10 59.5620 52.3349 148
  -1  -4 -10 88.9487 72.0080 139
   1  -4  10 21.5570 65.2513 167
  -1  -4 -10 48.9473 70.3876 106
  -1  -4 -10 20.0970 62.2823 124
   1  -4  10 107.000 66.9882  97
  -1  -4 -10 148.336 77.1195 109
  -1  -4 -10-7.83018 69.8046 101
   1  -4  10 77.5350 185.270  42
   1  -4  10 30.1805 108.443  52
   1  -4  10 123.039 75.5569  90
   1  -4  10 20.6098 72.4636  84
   1  -4  10 28.4827 74.7714  93
  -1  -4 -10 73.4986 60.3110  83
   1  -4  10 12.2122 56.4466  94
  -1  -4 -10 18.4231 59.6635  77
   1  -4  10 49.1435 69.6231  72
  -1  -4 -10 79.6865 58.6895  69
   1  -4  10 65.9725 63.0737  68
   1  -4  10 6.99295 65.0135  55
   1  -4  10 59.1448 69.6275  58
  -1  -4 -11 16352.0 544.478 161
  -1  -4 -11 15344.2 500.978 148
  -1  -4 -11 16719.2 551.740 139
   1  -4  11 15257.8 538.073 167
  -1  -4 -11 15754.9 550.490 166
   1  -4  11 15870.7 548.605 163
   1  -4  11 16384.0 541.970 131
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   1  -4  11 15631.4 549.419 147
  -1  -4 -11 15904.4 539.763 106
  -1  -4 -11 15339.3 537.675 109
   1  -4  11 16572.0 536.194  97
   1  -4  11 14491.1 897.507  42
   1  -4  11 15491.4 813.206  52
   1  -4  11 16132.7 538.035  90
   1  -4  11 15958.1 541.219  93
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   1  -4  11 16443.2 527.608  94
   1  -4  11 15272.3 530.986  84
  -1  -4 -11 15550.9 520.811  77
   1  -4  11 15297.6 535.229  72
  -1  -4 -11 15580.4 514.372  69
   1  -4  11 16418.5 534.245  68
   1  -4  11 16134.2 538.915  55
   1  -4  11 16168.2 533.685  58
  -1  -4 -12 27472.6 826.279 149
  -1  -4 -12 26586.4 820.982 161
   1  -4  12 27414.2 822.698 131
  -1  -4 -12 26878.7 834.351 139
   1  -4  12 23989.4 795.828 136
  -1  -4 -12 26751.9 838.328 166
   1  -4  12 25242.7 792.187 157
   1  -4  12 26389.3 830.600 167
   1  -4  12 26711.7 831.615 163
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  -1  -4 -12 27908.0 848.003 127
   1  -4  12 26457.4 810.899  97
   1  -4  12 27745.0 1290.74  42
   1  -4  12 27126.1 811.339  94
  -1  -4 -12 26868.1 819.680  83
   1  -4  12 27301.9 823.984  90
   1  -4  12 26308.5 825.361  93
   1  -4  12 27056.4 821.504  84
   1  -4  12 26471.9 825.978  72
  -1  -4 -12 26131.9 794.411  69
   1  -4  12 26710.4 814.377  68
  -1  -4 -12 26738.9 807.437  77
   1  -4  12 27767.4 819.664  58
   1  -4  12 27176.4 825.376  55
   1  -4  13 1898.74 138.677 136
   1  -4  13 1900.94 154.263 163
   1  -4  13 1799.04 142.678 131
   1  -4  13 1712.01 136.749 133
  -1  -4 -13 1805.57 144.823 161
   1  -4  13 1960.29 150.420 167
  -1  -4 -13 1906.41 148.084 149
   1  -4  13 1587.76 128.588 157
  -1  -4 -13 1653.04 152.280 127
  -1  -4 -13 2011.77 150.245 106
  -1  -4 -13 1727.59 136.717 121
   1  -4  13 1806.34 142.085  97
  -1  -4 -13 1919.73 151.017 109
  -1  -4 -13 1826.72 154.515 105
  -1  -4 -13 1821.34 159.982 101
   1  -4  13 2373.33 360.000  42
   1  -4  13 1995.22 145.082  94
  -1  -4 -13 1852.91 144.177  83
   1  -4  13 1787.89 148.283  93
   1  -4  13 2064.10 152.341  90
   1  -4  13 1817.73 144.408  84
  -1  -4 -13 1907.93 131.416  69
  -1  -4 -13 1865.39 138.275  77
   1  -4  13 1835.03 145.413  72
   1  -4  13 1766.78 137.831  68
   1  -4  13 1922.82 152.133  55
   1  -4  13 1841.83 141.418  58
  -1  -4 -14 17300.1 570.240 161
  -1  -4 -14 17415.9 570.605 149
   1  -4  14 16513.7 553.168 157
   1  -4  14 16553.9 552.688 133
   1  -4  14 18189.1 588.655 163
   1  -4  14 17515.2 564.234 131
   1  -4  14 17863.8 593.558 167
   1  -4  14 17429.4 564.301  97
  -1  -4 -14 17972.7 601.429 127
  -1  -4 -14 17090.0 555.848 121
  -1  -4 -14 16927.6 577.596 106
  -1  -4 -14 16199.6 532.887  99
  -1  -4 -14 17162.3 591.379 101
   1  -4  14 15416.6 923.502  42
   1  -4  14 17661.3 573.548  84
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   1  -4  14 17587.5 575.029  90
   1  -4  14 17075.5 579.803  93
   1  -4  14 18287.1 573.504  94
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   1  -4  14 17234.2 566.743  68
   1  -4  14 18385.5 590.567  72
   1  -4  14 17545.4 569.896  58
   1  -4  14 17004.3 577.837  55
   1  -4  15 103.454 76.9725 167
   1  -4  15 182.489 74.2709 163
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   1  -4  15 142.374 59.9191 157
  -1  -4 -15 154.042 70.7408 161
   1  -4  15 130.209 64.1729 131
   1  -4  15 237.887 77.9987  94
   1  -4  15 110.079 76.1233  90
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   1  -4  15 148.337 78.9977  93
   1  -4  15 53.7810 66.0806  84
   1  -4  15 128.862 68.7367  97
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  -1  -4 -15 141.610 80.4191 106
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   1  -4  15 105.830 67.6400  68
  -1  -4 -15 162.284 63.2317  77
   1  -4  15 118.586 76.1283  72
   1  -4  15 112.376 64.9804  58
   1  -4  15 133.120 73.0478  55
   1  -4  16 10277.1 374.333 163
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  -1  -4 -16 9892.41 353.729 161
   1  -4  16 9740.27 356.387 157
   1  -4  16 10660.1 369.157  94
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  -1  -4 -16 10267.6 383.786  88
   1  -4  16 10046.3 380.261  93
   1  -4  16 10234.2 369.454  90
   1  -4  16 10266.1 366.731  84
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   1  -4  16 10638.4 366.757  68
   1  -4  16 10398.9 378.465  72
   1  -4  16 10547.3 368.223  58
   1  -4  17 146.388 64.6377 163
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   1  -4  17 34.6252 50.5480 157
   1  -4  17 68.6945 58.9054  90
   1  -4  17 96.1599 68.8355  93
   1  -4  17 132.029 59.6924  84
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   1  -4  17 51.7946 56.3384  94
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   1  -4  17 12.0370 62.3581  72
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   1  -4  17 141.712 54.5891  68
   1  -4  17 35.5784 51.4412  58
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  -1  -4 -18 1795.12 103.737  77
   1  -4  18 1839.34 109.816  68
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   1  -4  18 1992.31 115.702  90
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   1  -4  18 2055.19 125.329  93
   1  -4  18 1856.01 109.369  84
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   1  -4  19 7012.61 223.995 100
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   1  -4  19 7171.83 222.357  93
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   1  -4  20 14353.0 417.228  93
   1  -3 -21 11766.8 344.124 106
   1  -3 -21 11402.9 341.170 101
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   1  -3 -21 10802.3 342.240  88
   1  -3 -21 11100.3 340.571  83
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   1  -3 -20 17750.4 540.118 105
   1  -3 -20 17908.3 537.167 106
   1  -3 -20 18017.2 539.792 101
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   1  -3 -19 1585.47 109.154 109
   1  -3 -19 1406.37 114.341 101
   1  -3 -19 1626.64 117.907 105
   1  -3 -19 1634.20 116.072 106
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   1  -3 -19 1604.37 110.521  83
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   1  -3 -19 1536.07 117.250  88
   1  -3 -19 1602.50 117.956  81
  -1  -3  19 1495.90 106.090  72
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  -2   0  -8 73518.4 2150.19   7
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   2   0   8 75623.9 2278.11  39
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   2   0   8 74201.5 2383.01  40
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   2   0   8 74058.6 2382.08  42
   2   0   8 77014.2 2317.30  50
   2   0   8 74124.0 2407.25  52
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   2   0   8 74262.4 1969.45  64
   2   0   8 76207.2 1995.86  58
   2   0   8 76524.1 1983.95  55
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   2   0   8 73261.8 1996.85  84
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   2   0   8 74077.3 1982.28  72
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   2   0   8 74556.5 1979.24  75
   2   0   8 74592.4 1993.85  68
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   2   0   8 74912.6 2206.70  36
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   2   0   8 75224.3 2379.73  25
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   2   0   8 74203.5 2394.83  30
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   2   0   9 34623.6 967.987  64
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   2   0   9 35419.4 984.142  55
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   2   0   9 36722.2 1322.25  50
   2   0   9 33984.6 1240.22  39
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   2   0   9 37418.8 1389.28  40
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   2   0   9 35909.8 1400.50  42
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   2   0   9 35211.0 980.363  75
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   2   0   9 37173.5 1359.08  29
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   2   0   9 35534.3 1267.70  24
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   2   0   9 35333.5 1386.03  30
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   2   0  10 22390.3 658.350  55
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   2   0  10 21952.9 897.666  39
   2   0  10 24344.8 1025.25  50
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   2   0  10 22495.5 1029.08  40
   2   0  10 23460.8 938.392  43
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   2   0  10 24364.8 1089.78  42
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   2   0  10 21155.7 668.386  90
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   2   0  10 22294.5 673.204  84
   2   0  10 22659.2 677.361  94
   2   0  10 22278.9 652.789  75
   2   0  10 22012.4 657.597  72
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   2   0  10 22368.8 670.848  68
   2   0  10 21095.3 649.403  80
   2   0  10 23222.3 1032.67  29
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   2   0  10 20927.0 929.279  24
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   2   0  10 23902.9 1081.38  30
  -2   0 -10 22099.5 830.947  23
   2   0  10 22295.2 1049.21  25
   2   0  11 100.576 149.399  29
   2   0  11 36.6947 146.259  25
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   2   0  11-138.583 126.564  24
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   2   0  11 111.390 181.254  30
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   2   0  11-11.0443 59.5200 154
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   2   0  11 32.6124 62.0003  96
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   2   0  11-5.79956 61.1595 126
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   2   0  11-25.2583 118.053  43
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   2   0  11-31.0837 135.011  50
   2   0  11 32.4896 161.873  40
   2   0  11 112.726 190.918  42
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   2   0  11-12.4722 65.4686  90
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   2   0  11 45.0765 66.0640  94
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   2   0  11-24.9026 65.9453  84
   2   0  11-37.5149 52.3242  72
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   2   0  11 48.4093 58.4605  68
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   2   0  11 35.5588 50.3648  75
   2   0  11-5.18274 58.1998  80
   2   0  11 47.1569 41.6366  64
   2   0  11 5.98939 68.0478  58
   2   0  11 10.5097 51.5712  55
  -2   0 -11 53.8175 53.8482  56
  -2   0 -11-11.1727 55.1061  66
   2   0  12 1377.95 293.165  29
  -2   0 -12 1931.72 226.588  37
   2   0  12 1902.58 337.947  25
  -2   0 -12 1628.60 255.265  33
   2   0  12 1540.93 258.865  24
  -2   0 -12 1673.04 289.771  31
   2   0  12 1139.87 278.631  30
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   2   0  12 1796.13 129.349 126
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   2   0  12 1638.25 135.287  96
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  -2   0 -12 1488.31 275.118  45
   2   0  12 1605.68 310.150  52
   2   0  12 1753.13 291.965  50
   2   0  12 1408.85 240.855  43
  -2   0 -12 1444.65 273.261  44
   2   0  12 1776.28 324.493  42
   2   0  12 1861.10 298.693  40
  -2   0 -12 1557.32 294.242  41
  -2   0 -12 1898.45 306.795  47
   2   0  12 1454.11 130.133  90
  -2   0 -12 1815.33 130.811  86
  -2   0 -12 1869.03 127.851  83
   2   0  12 1749.63 124.639  93
   2   0  12 1896.89 140.286  84
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   2   0  12 1857.93 142.763  94
   2   0  12 1776.92 124.879  72
  -2   0 -12 1799.81 129.037  77
  -2   0 -12 1786.99 123.865  76
   2   0  12 1655.20 120.310  75
  -2   0 -12 1766.13 130.579  69
   2   0  12 1791.41 127.351  80
   2   0  12 1704.75 130.715  68
   2   0  12 1679.29 109.854  64
   2   0  12 1664.24 134.026  58
   2   0  12 1626.64 123.193  55
  -2   0 -12 1878.70 128.981  66
  -2   0 -12 1881.72 132.339  61
  -2   0 -12 1737.18 116.444  56
   2   0  13 28516.8 1296.09  29
   2   0  13 24814.8 1266.20  25
  -2   0 -13 26665.7 1169.65  33
   2   0  13 25691.4 1169.47  24
   2   0  13 26438.6 1309.34  30
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  -2   0 -13 26784.5 813.011 149
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   2   0  13 26912.5 802.000 126
   2   0  13 27200.3 823.393  96
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  -2   0 -13 25610.7 802.542 107
  -2   0 -13 26701.3 800.552 109
   2   0  13 26690.7 1319.18  42
  -2   0 -13 28003.8 1264.76  44
   2   0  13 27814.7 1144.25  43
   2   0  13 25942.5 1204.57  40
  -2   0 -13 27680.5 1271.30  47
   2   0  13 27915.0 1329.36  52
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   2   0  13 26392.7 1224.15  50
   2   0  13 26062.7 814.504  90
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   2   0  13 25796.4 812.068  84
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   2   0  13 26816.1 819.216  94
   2   0  13 25038.8 778.484  93
   2   0  13 27104.7 797.920  72
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   2   0  13 26727.3 792.032  75
   2   0  13 25937.5 806.006  74
   2   0  13 26751.9 811.026  68
   2   0  13 25925.3 791.032  80
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   2   0  13 25817.5 769.293  64
   2   0  13 27163.3 815.288  58
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  -2   0 -13 27048.5 803.399  61
   2   0  13 27354.4 797.181  55
   2   0  14 17524.8 1031.95  29
   2   0  14 19837.2 1100.97  25
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   2   0  14 19895.2 1113.50  30
  -2   0 -14 16074.5 965.077  20
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   2   0  14 18193.9 618.046  96
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   2   0  14 17886.0 613.418 118
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   2   0  14 19296.1 603.544 126
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   2   0  14 17695.1 987.935  50
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   2   0  14 18495.4 907.703  43
   2   0  14 18747.6 971.586  40
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   2   0  14 17357.4 941.203  46
   2   0  14 19464.9 1103.15  42
   2   0  14 19227.7 1095.25  52
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   2   0  14 18445.4 616.646  90
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   2   0  14 18687.2 585.119  93
   2   0  14 17678.4 611.993  84
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  -2   0 -14 19514.7 611.342  82
   2   0  14 18652.6 617.978  94
   2   0  14 18269.5 599.698  72
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   2   0  14 18243.6 589.512  75
   2   0  14 18238.5 606.416  74
   2   0  14 17818.0 609.277  68
   2   0  14 18183.0 594.308  80
   2   0  14 18802.5 616.429  58
   2   0  14 17839.3 567.842  64
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   2   0  14 18991.6 599.567  55
  -2   0 -14 18456.7 602.510  61
  -2   0 -14 18435.0 576.122  56
  -2   0 -15 1957.44 308.168  33
   2   0  15 2289.48 391.312  25
   2   0  15 1688.02 331.361  29
   2   0  15 2292.92 395.481  30
  -2   0 -15 2031.76 351.152  20
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  -2   0 -15 1691.26 144.870 142
  -2   0 -15 1801.35 144.561 109
   2   0  15 1982.27 162.535  96
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  -2   0 -15 1780.61 134.697 106
   2   0  15 1976.36 160.594 108
   2   0  15 1816.27 152.155 118
   2   0  15 1754.32 315.982  50
  -2   0 -15 1965.84 341.438  44
   2   0  15 1813.02 304.435  40
   2   0  15 2071.17 292.974  43
  -2   0 -15 2020.43 340.731  41
  -2   0 -15 1778.98 346.662  47
   2   0  15 2117.01 308.134  46
   2   0  15 1774.10 354.000  42
   2   0  15 1759.30 367.127  52
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   2   0  15 1945.71 158.418  94
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   2   0  15 2064.45 150.879  89
   2   0  15 1948.47 156.762  90
   2   0  15 1947.68 136.489  93
   2   0  15 1934.76 159.046  84
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   2   0  15 1922.99 139.035  72
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   2   0  15 1972.56 140.960  80
   2   0  15 1841.64 136.176  75
   2   0  15 1938.88 147.098  74
   2   0  15 1845.91 150.457  68
   2   0  15 1877.85 121.926  64
   2   0  15 1990.23 155.552  58
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   2   0  15 1836.83 139.378  55
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  -2   0 -15 1754.06 142.416  60
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   2   0  16 552.806 205.727  29
   2   0  16 637.409 239.729  25
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   2   0  16 569.302 246.008  30
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   2   0  16 481.498 92.5417 167
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   2   0  16 491.247 104.574  96
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   2   0  16 599.118 98.2838 118
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   2   0  16 486.455 210.324  50
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   2   0  16 493.870 241.462  42
   2   0  16 235.016 220.093  52
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   2   0  16 373.891 80.9051  75
   2   0  16 561.046 91.8321  72
   2   0  16 489.894 91.7910  74
   2   0  16 555.808 87.7770  80
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   2   0  16 394.987 91.4291  58
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   2   0  16 686.770 93.7924  55
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   2   0  18 7086.67 602.595  52
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   2   0  18 6494.49 263.185  89
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   2   0  18 7457.92 281.234  75
   2   0  18 7196.96 280.569  80
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   2   1  21 4039.35 157.799  90
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   2   3   5 5067.25 354.685  39
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   2   3   5 6524.97 427.800  25
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   2   3   6 8981.20 565.272  30
   2   3   6 9482.60 557.548  25
   2   3   7 36359.3 1374.82  16
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   2   3   7 35059.0 988.734  58
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   2   3   7 35822.2 1367.10  42
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   2   3   7 34768.5 988.479  68
   2   3   7 37171.7 1400.97  30
   2   3   7 38579.1 1437.77  29
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  -2   3  -7 37342.2 1425.98  23
   2   3   7 33945.1 1351.07  25
   2   3   8 1983.69 272.514  16
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   2   3   8 2165.19 123.609  58
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   2   3   8 1963.38 290.518  42
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   2   3   8 2030.54 119.575  68
   2   3   8 2194.57 311.096  25
   2   3   8 1626.02 278.610  30
   2   3   8 2320.93 316.250  29
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   2   3   9 7682.72 550.367  16
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   2   3   9 8456.39 302.090  58
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   2   3   9 8294.66 593.074  42
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   2   3   9 8167.33 299.494  68
   2   3   9 7384.53 574.853  25
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   2   3   9 9075.77 621.511  30
   2   3  10 12613.4 743.520  16
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   2   3  10 13522.2 450.771  58
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   2   3  10 14943.6 851.291  42
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   2   3  11 393.003 78.0788  58
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   2   3  11 319.944 183.014  42
   2   3  11 660.603 256.167  52
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   2   3  11 574.749 84.8315  68
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   2   3  11 382.863 187.283  30
   2   3  12 4098.61 475.517  25
   2   3  12 3774.48 477.589  29
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   2   3  12 4181.68 468.916  30
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   2   3  12 4626.40 512.081  40
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   2   3  12 4560.94 496.290  42
   2   3  12 4280.20 508.509  52
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   2   3  12 4993.52 223.610  68
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   2   3  13 887.375 264.219  29
   2   3  13 944.733 266.156  25
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   2   3  13 810.419 229.512  30
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   2   3  13 722.643 259.492  52
   2   3  13 1201.19 301.505  42
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   2   3  13 945.622 281.113  43
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   2   3  13 893.322 270.071  40
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   2   3  13 893.021 104.677  90
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   2   3  13 913.369 102.993  68
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   2   3  13 869.448 101.896  58
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   2   3  14 12588.0 889.368  25
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   2   3  14 14824.5 890.283  30
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   2   3  14 14829.4 948.358  40
   2   3  14 17219.3 992.536  43
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   2   3  14 14961.7 932.805  42
   2   3  14 14692.6 959.191  52
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   2   3  15 10588.0 794.567  29
   2   3  15 8819.06 673.485  35
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   2   3  15 11851.6 808.279  42
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   2   3  16 2354.80 356.156  40
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   2   3  16 1905.43 333.245  42
   2   3  16 2272.13 360.493  43
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   2   3  16 1798.69 338.957  52
   2   3  16 2070.35 141.035  90
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   2   3  17 6248.40 274.281  96
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   2   3  17 5938.36 533.016  43
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   2   3  17 5799.45 520.563  40
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   2   3  17 5616.78 555.118  52
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   3  -7  -8 43644.8 1197.34   8
   3  -7  -8 45514.2 1204.82  11
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   3  -7  -7 14466.1 454.269   8
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   3  -7  -5 11923.9 404.207  11
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   3  -7  -3 1012.83 109.066  14
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   3  -7  -1 2019.93 138.576 115
   3  -7  -1 2057.98 120.743 111
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   3  -7   0 4339.04 221.344  14
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   3  -7   1 2145.87 154.745  12
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   3  -7   1 1973.62 141.485 147
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   3  -7   1 2084.77 141.607 122
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   3  -7   1 1826.39 130.012 115
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   3  -7   1 1829.85 118.985 102
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   3  -7   2 7168.33 290.964  89
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   3  -7   2 7038.77 292.889   8
   3  -7   2 7073.74 294.139  12
   3  -7   2 7195.41 296.256  11
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   3  -7   2 6853.62 291.466 147
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   3  -7   2 7087.44 261.328 111
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   3  -7   3 21425.4 646.336  89
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   3  -7   3 20610.3 646.122   8
   3  -7   3 20232.7 643.028  12
   3  -7   3 21127.9 647.515  11
   3  -7   3 19953.2 619.283 165
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   3  -7   4 262.704 70.7513  89
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   3  -7   4 237.000 71.5504  14
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   3  -7   4 304.140 79.4675  12
   3  -7   4 278.835 76.3643   8
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   3  -7   4 266.546 70.4691  11
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   3  -7   4 338.957 66.0301 122
   3  -7   4 353.967 63.0817 111
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   3  -7   5 2225.90 138.854  89
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   3  -7   5 2152.64 122.398 122
   3  -7   5 2000.11 117.077 111
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   3  -7   6 5912.39 225.553  11
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   3  -7   6 5352.65 207.845 111
   3  -7   7 5565.05 228.641  89
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   3  -7   7 6684.29 234.668  14
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   3  -7   7 6599.08 232.827  12
   3  -7   7 6616.72 235.525   8
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   3  -7   9 3424.42 150.590 163
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   3  -6 -15 2838.68 114.533 137
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   3  -6 -12 2641.36 155.975 152
   3  -6 -12 2655.62 153.297 137
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   3  -6 -11 98.5949 65.3012 148
  -3  -6  11 46.0300 57.0787 160
   3  -6 -11 39.3780 65.4258 152
   3  -6 -11 139.968 68.6007 137
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   3  -6 -11 87.7314 53.4943 122
   3  -6 -10 2036.92 143.972 148
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   3  -6 -10 1744.38 141.121 152
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   3  -6 -10 2084.91 133.716 122
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   3  -6  -9 7034.29 249.913  11
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   3  -6  -9 6778.38 290.117 148
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   3  -2   0 5272.48 443.491   4
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   3  -2   1 23550.2 1010.05  46
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   3  -2   1 23216.9 833.387  30
   3  -2   2 62156.5 2045.22   6
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   3  -2   2 62069.4 2016.70   4
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   3  -2   2 59704.4 1926.73  51
   3  -2   2 58540.1 1991.97  38
   3  -2   2 57745.2 1988.74  48
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   3  -2   2 61893.6 1998.55  52
   3  -2   2 61246.1 1984.34  46
   3  -2   2 56464.2 1988.91  40
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   3  -2   2 60815.0 1953.18  53
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   3  -2   2 58815.2 1599.27  74
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   3  -2   3 1547.41 246.330   4
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   3  -2   3 1268.96 231.703  48
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   3  -2   3 770.751 190.122  38
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   3  -2   4 18438.3 865.194   6
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   3  -2   4 17201.3 827.134   4
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   3  -2   4 17645.6 795.096  53
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   3  -2   4 16778.0 842.252  48
   3  -2   4 18798.9 902.596  39
   3  -2   4 17745.9 835.645  46
   3  -2   4 17558.3 866.061  52
   3  -2   4 17516.0 833.722  42
   3  -2   4 16599.0 511.829  84
   3  -2   4 17167.4 514.716  68
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   3  -2   4 17436.1 509.115  80
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   3  -2   4 17101.1 856.614  36
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   3  -2   4 16116.7 761.591  30
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   3  -2   5 40490.6 1568.40  36
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   3  -2   5 40693.9 1497.19  30
   3  -2   5 42835.1 1527.04   4
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   3  -2   5 42526.6 1542.75   3
   3  -2   5 40978.6 1529.14   6
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   3  -2   5 41430.5 1170.84 118
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   3  -2   5 38807.8 1539.24  48
   3  -2   5 40135.7 1580.04  39
   3  -2   5 39877.7 1440.14  51
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   3  -2   5 43655.5 1561.88  46
   3  -2   5 42517.5 1600.58  40
   3  -2   5 42880.4 1569.92  42
   3  -2   5 42030.3 1591.19  52
   3  -2   5 40300.9 1154.40  90
   3  -2   5 40125.6 1151.11  84
   3  -2   5 41175.5 1154.23  68
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   3  -2   5 42519.2 1145.63  75
   3  -2   5 40029.0 1141.55  80
   3  -2   5 41920.2 1147.83  63
   3  -2   5 41346.4 1154.44  58
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   3  -2   5 42422.2 1464.36  53
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   3  -2   6 2125.06 281.600   6
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   3  -2   6 1542.73 245.048   5
   3  -2   6 1593.73 243.289   4
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   3  -2   6 2755.75 305.024   3
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   3  -2   6 2032.70 137.237 118
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   3  -2   6 2018.11 133.192 114
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   3  -2   6 1875.88 241.319  51
   3  -2   6 1919.44 307.850  40
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   3  -2   6 1853.94 283.160  48
   3  -2   6 1602.81 284.547  39
   3  -2   6 2276.17 307.585  46
   3  -2   6 1924.81 302.649  52
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   3  -2   6 2019.22 135.577  74
   3  -2   6 1967.95 118.249  80
   3  -2   6 1976.03 126.381  58
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   3  -2   6 1914.94 243.020  53
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   3  -2   7 7673.19 510.499   5
   3  -2   7 7841.72 526.139   6
   3  -2   7 8914.86 534.978   4
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   3  -2   7 8711.86 547.137   3
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   3  -2   7 7399.41 304.268 118
   3  -2   7 7474.95 293.068 117
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   3  -2   7 7534.91 474.040  51
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   3  -2   7 7400.18 584.927  39
   3  -2   7 8155.90 565.480  48
   3  -2   7 7638.11 582.484  40
   3  -2   7 7736.22 538.054  46
   3  -2   7 8341.10 593.315  42
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   3  -2   8 4291.88 377.471   4
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   3  -2   8 5314.94 410.370   3
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   3  -2   8 4795.08 406.168   6
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   3  -2   8 5182.13 222.986 100
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   3  -2   8 5394.90 497.759  40
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   3  -2   9 1552.93 126.621  58
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   3   2   2 56652.3 1751.24  32
   3   2   2 61416.7 1886.80  38
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   3   2   2 63828.1 1924.96  48
   3   2   2 60226.4 1958.61  40
   3   2   2 62804.5 2001.94  46
   3   2   2 62984.5 1989.30  39
   3   2   2 56866.7 1824.71  52
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   3   2   3 983.571 173.517  48
   3   2   3 628.456 203.213  46
   3   2   3 1017.70 196.092  39
   3   2   3 735.288 158.829  52
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   3   2   3 628.478 171.862  36
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   3   2   4 16144.9 818.411  40
   3   2   4 16076.4 754.063  52
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   3   2   4 15772.5 661.332  38
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   3   2   5 37266.9 1404.29  52
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   3   2   5 36913.5 1286.22  25
   3   2   5 40170.9 1487.47  30
   3   2   5 36869.7 1318.85  36
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   3   2   6 2614.09 340.536  40
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   3   2   6 2204.44 268.403  39
   3   2   6 1872.00 247.779  42
   3   2   6 1595.54 275.250  52
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   3   2   6 2189.04 239.357  36
   3   2   6 2176.28 296.605  29
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   3   2   6 2333.23 322.853  30
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   3   2   7 6416.23 560.549  40
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   3   2   7 7425.79 480.525  39
   3   2   7 7564.09 503.658  42
   3   2   7 6455.24 518.914  52
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   3   2   7 6645.96 475.182  25
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   3   2   7 7014.25 554.171  30
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   3   2   7 7449.66 545.835  29
   3   2   7 5964.20 433.342  16
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   3   2   8 5084.05 443.792  25
   3   2   8 5498.70 483.590  29
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   3   2   8 4887.36 486.704  30
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   3   2   8 4457.06 374.098  16
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  -3   2  -8 5408.81 475.203  44
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   3   2   8 5037.73 501.509  40
   3   2   8 5544.90 412.909  39
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   3   2   8 5716.54 464.516  42
  -3   2  -8 4863.17 465.896  45
   3   2   8 5123.74 487.856  52
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   3   2   8 5175.15 217.278  84
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   3   2   8 5303.10 208.223  68
   3   2   8 5163.85 205.758  58
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   3   2   9 1798.78 302.051  29
   3   2   9 1773.76 285.079  25
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  -3   2  -9 1921.99 296.866  33
  -3   2  -9 1760.25 225.320  27
  -3   2  -9 1881.08 310.085  31
   3   2   9 1077.17 261.471  30
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  -3   2  -9 1605.16 126.814 125
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   3   2   9 2054.71 342.380  40
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   3   2   9 1547.23 309.449  52
   3   2   9 1431.35 271.119  42
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   3   2   9 1779.52 124.812  84
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   3   2   9 1709.55 115.085  68
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   3   2   9 1737.77 113.772  58
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   3   2  10 20946.9 1032.31  25
   3   2  10 20718.1 1074.72  29
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   3   2  10 19491.6 1062.38  30
  -3   2 -10 21620.3 1087.83  20
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   3   2  10 19257.5 613.299 154
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  -3   2 -10 19487.5 930.311  47
   3   2  10 19247.9 1008.41  42
   3   2  10 19688.2 1088.19  52
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   3   2  10 19545.4 616.413  84
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  -3   2 -10 20235.5 631.149  86
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   3   2  10 19786.2 604.530  68
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   3   2  10 19487.3 600.908  58
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   3   2  11 6291.61 599.810  29
   3   2  11 6676.25 577.133  25
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   3   2  11 7827.31 659.745  30
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  -3   2 -11 5698.01 559.894  45
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   3   2  11 6945.39 584.048  42
   3   2  11 7055.98 632.189  52
   3   2  11 6770.00 279.900  90
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   3   2  11 7390.02 294.845  84
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   3   2  11 7263.64 282.416  68
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   3   2  12 46228.1 1916.58  29
   3   2  12 47792.1 1881.45  25
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   3   2  12 45939.5 1927.57  30
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   3   2  12 46790.7 1348.50  96
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   3   2  12 48929.7 1982.41  40
  -3   2 -12 47790.6 1787.68  47
   3   2  12 46948.3 1871.14  42
   3   2  12 48571.6 1979.65  52
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   3   2  12 46949.1 1327.67  90
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   3   2  12 47842.5 1346.28  84
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   3   2  12 46538.4 1328.10  68
   3   2  12 48347.4 1330.94  58
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   3   2  13 1070.97 263.661  25
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   3   2  13 1950.78 358.441  29
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   3   2  13 1657.53 323.318  30
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  -3   2 -13 1755.38 131.007 150
   3   2  13 1598.71 137.599  96
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   3   2  13 1760.57 357.760  40
  -3   2 -13 2146.30 353.811  45
  -3   2 -13 2205.54 363.996  44
  -3   2 -13 2749.26 397.854  41
   3   2  13 1943.92 331.900  43
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   3   2  13 1679.50 324.369  42
   3   2  13 1847.82 359.000  52
   3   2  13 1802.79 134.860  90
   3   2  13 1788.08 140.154  84
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   3   2  13 1953.06 135.976  68
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   3   2  13 1904.40 133.796  58
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  -3   2 -13 2063.64 149.284  61
  -3   2 -13 1824.88 139.234  60
  -3   2 -13 1727.73 140.650  56
   3   2  14 23471.7 1253.79  29
   3   2  14 24798.9 1248.06  25
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   3   2  14 24145.5 1265.07  30
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  -3   2 -14 23383.8 1247.71  20
  -3   2 -14 25813.6 778.582 142
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   3   2  14 25403.1 771.702  96
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   3   2  14 24499.6 1172.20  43
   3   2  14 24503.3 1266.66  40
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   3   2  14 25916.7 1295.72  46
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   4  -8   2 1957.78 83.6029  14
   4  -8   2 1871.70 83.0827  12
  -4  -7  10 2065.45 94.1029 140
   4  -7 -10 2184.71 94.5716 137
  -4  -7  10 2073.93 91.5081 128
   4  -7  -9 6238.08 209.907 144
   4  -7  -9 6192.48 218.744 137
   4  -7  -9 6387.38 210.031 122
  -4  -7   9 6883.33 222.599 128
  -4  -7   8 3595.80 151.052 159
   4  -7  -8 3449.46 140.527 144
   4  -7  -8 3512.44 146.786 122
  -4  -7   7 6389.19 215.559   9
   4  -7  -7 6497.13 213.433   8
   4  -7  -7 7142.12 222.736  11
   4  -7  -7 7096.79 234.195 144
   4  -7  -7 7338.23 250.666 122
  -4  -7   6 10079.5 325.449  15
   4  -7  -6 10305.0 325.235  14
  -4  -7   6 9905.69 324.052   9
  -4  -7   6 10987.1 327.459  13
   4  -7  -6 11354.2 333.392  12
   4  -7  -6 10599.5 324.940   8
   4  -7  -6 11030.0 331.724  11
   4  -7  -6 10422.0 335.865 164
   4  -7  -6 9176.33 321.102 144
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  -4  -7   5 7356.22 263.945  15
  -4  -7   5 7334.50 259.627  10
   4  -7  -5 7211.06 260.546  14
  -4  -7   5 7501.50 263.802   9
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   4  -7  -5 7369.43 264.694  12
   4  -7  -5 7632.78 262.209   8
   4  -7  -5 7888.64 267.211  11
   4  -7  -5 8483.42 279.646 164
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   4  -7  -5 6917.80 249.862 144
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   4  -7  -4 36101.8 993.983  14
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   4  -7  -4 35764.0 991.491   8
   4  -7  -4 37279.8 998.733  12
   4  -7  -4 36585.7 996.646  11
   4  -7  -4 36442.4 1005.33 164
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   4  -7  -4 36217.6 1012.18 122
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   4  -7  -3 7472.44 269.278  14
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   4  -7  -3 6941.77 264.300   8
   4  -7  -3 7226.69 269.207  12
   4  -7  -3 7683.01 271.969  11
   4  -7  -3 7175.79 274.004 164
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   4  -7  -3 6505.33 263.855 115
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   4  -7  -2 9646.98 343.644   8
   4  -7  -2 10118.6 348.488  11
   4  -7  -2 9872.03 352.971 164
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   4  -7  -2 9298.44 340.663 115
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  -4  -7   1 8087.81 305.254   9
   4  -7  -1 8048.96 302.202   8
   4  -7  -1 8435.92 307.254  11
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   4  -7  -1 8208.57 305.065 122
   4  -7  -1 7750.65 295.188 115
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  -4  -7   0 3498.32 168.480  10
  -4  -7   0 3247.44 167.738  15
   4  -7   0 3207.47 166.915  14
  -4  -7   0 3381.16 169.546   9
  -4  -7   0 3322.82 168.643  13
   4  -7   0 3176.97 164.112   8
   4  -7   0 3375.11 170.684  12
  -4  -7   0 3064.87 157.964 140
   4  -7   0 2960.52 154.344 147
  -4  -7   0 3380.50 160.942 166
   4  -7   0 3073.76 159.308 122
   4  -7   0 2813.25 150.222 115
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  -4  -7  -1 2133.27 134.931  15
   4  -7   1 2337.35 138.278  14
  -4  -7  -1 2395.60 137.415  13
   4  -7   1 2308.33 138.263  12
   4  -7   1 2137.43 128.339 122
   4  -7   1 2012.60 119.804 115
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   4  -7   1 2271.48 134.233 147
  -4  -7  -1 2217.52 130.180 140
  -4  -7  -1 2260.06 132.377 166
   4  -7   2 7768.47 289.524  89
  -4  -7  -2 8175.98 289.654  10
  -4  -7  -2 8141.05 292.507  15
   4  -7   2 7719.57 288.012  14
  -4  -7  -2 7796.19 289.056   9
  -4  -7  -2 8490.58 293.551  13
   4  -7   2 8037.00 290.483   8
   4  -7   2 8116.44 290.413  12
   4  -7   2 8188.01 290.795  11
   4  -7   2 7688.27 273.142 122
  -4  -7  -2 7340.39 279.457 128
   4  -7   2 7328.70 287.556 147
  -4  -7  -2 7910.64 287.594 166
   4  -7   2 7307.29 271.049 131
   4  -7   3 2193.54 127.811  89
  -4  -7  -3 1948.56 119.013  10
  -4  -7  -3 1915.97 120.886  15
   4  -7   3 2098.39 123.402  14
  -4  -7  -3 1843.15 118.969   9
  -4  -7  -3 2016.62 120.905  13
   4  -7   3 2264.03 126.801   8
   4  -7   3 2032.75 121.657  12
   4  -7   3 2270.61 124.973  11
   4  -7   3 1914.51 106.027 122
  -4  -7  -3 1961.91 116.606 128
   4  -7   3 2034.00 120.136 131
   4  -7   3 1900.49 125.578 147
  -4  -7  -3 2161.15 125.611 166
   4  -7   4 8183.91 289.940  89
  -4  -7  -4 8215.60 284.584  15
  -4  -7  -4 8621.07 284.993  10
   4  -7   4 8435.10 286.470  14
  -4  -7  -4 8610.07 287.951   9
  -4  -7  -4 8524.44 286.640  13
   4  -7   4 8026.08 282.641  12
   4  -7   4 8245.71 285.179   8
   4  -7   4 8031.85 282.331  11
   4  -7   4 7855.05 296.538 147
  -4  -7  -4 7608.13 289.147 166
   4  -7   4 7922.61 288.248 131
   4  -7   5 570.688 67.3657  89
  -4  -7  -5 614.321 64.2201  10
  -4  -7  -5 561.784 62.2800  15
   4  -7   5 677.167 65.1197  14
  -4  -7  -5 593.953 64.0421  13
  -4  -7  -5 470.293 63.8927   9
   4  -7   5 484.887 62.4707  12
   4  -7   5 487.029 59.3982   8
   4  -7   5 763.803 67.5495  11
  -4  -7  -5 434.637 71.2151 121
   4  -7   5 403.727 71.2567 147
   4  -7   5 490.558 70.3853 131
  -4  -7  -5 467.249 70.6369 166
   4  -7   6 17350.7 264.005  89
  -4  -7  -6 16055.6 231.680  15
   4  -7   6 16804.7 235.095  14
  -4  -7  -6 17243.1 238.485  13
   4  -7   6 15986.2 225.001  12
   4  -7   6 17659.4 301.823 147
   4  -7   6 17828.0 291.586 131
  -4  -7  -6 18068.1 294.490 166
  -4  -7  -6 18116.4 304.843 121
   4  -7   7 4403.04 161.055  89
   4  -7   7 4291.35 163.459 165
   4  -7   7 4342.63 177.225 131
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  -4  -7  -7 4689.40 184.041 121
   4  -7   8 690.333 57.6064 165
  -4  -7  -8 702.319 67.4997 166
   4  -7   9 5716.64 193.303 165
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   4  -6 -13 21099.9 585.687 148
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   4  -6 -12 2064.42 110.437 148
  -4  -6  12 2344.49 115.172 160
  -4  -6  12 2137.09 105.362 159
  -4  -6  12 2379.97 114.027 128
   4  -6 -11 11088.9 358.587 148
  -4  -6  11 10977.4 358.087 160
  -4  -6  11 10781.2 353.515 159
  -4  -6  11 11144.7 362.703 128
  -4  -6  10 1906.28 115.841  87
   4  -6 -10 1915.18 118.951 148
  -4  -6  10 2076.97 121.663 160
  -4  -6  10 1772.78 114.492 159
   4  -6 -10 1870.78 112.801 122
  -4  -6  10 1968.12 126.300 128
  -4  -6   9 185.650 64.0251  87
   4  -6  -9 153.196 62.1194 148
  -4  -6   9 303.670 70.2170 160
  -4  -6   9 186.300 55.1920 146
  -4  -6   9 278.440 70.3701 159
   4  -6  -9 142.382 64.9646 137
   4  -6  -9 205.173 56.7424 164
  -4  -6   8 5517.15 226.540  87
  -4  -6   8 5325.36 202.358  10
  -4  -6   8 5575.26 208.034   9
   4  -6  -8 5407.52 203.163   8
   4  -6  -8 6041.97 213.134  11
   4  -6  -8 5490.90 236.434  95
   4  -6  -8 5647.17 231.068 148
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   4  -6  -8 6125.38 234.965 164
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   4  -6  -8 5845.87 249.078 137
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   4  -6  -7 1707.60 110.060  14
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   4  -6  -7 1346.27 102.706   8
   4  -6  -7 1856.45 116.710  12
   4  -6  -7 1687.88 113.216  11
   4  -6  -7 1609.52 127.354 115
   4  -6  -7 1511.32 120.931  95
   4  -6  -7 1446.77 118.036 164
   4  -6  -7 1527.31 115.321 148
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   4  -6  -7 1632.66 132.172 137
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   4  -6  -6 3431.93 171.200  14
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   4  -6  -6 3392.41 170.432   8
   4  -6  -6 3137.55 167.666  12
   4  -6  -6 3261.08 170.209  11
   4  -6  -6 3097.02 178.844 115
   4  -6  -6 3234.77 177.670  95
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   4  -6  -6 3370.63 183.358 164
   4  -6  -6 3086.37 166.824 148
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   4  -6  -6 3217.92 188.522 137
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   4  -6  -5 19083.3 603.780  14
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   4  -6  -5 19109.9 602.850   8
   4  -6  -5 19156.5 606.748  12
   4  -6  -5 19805.0 608.981  11
   4  -6  -5 18466.3 617.130 115
   4  -6  -5 19419.8 612.440  95
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   4  -6  -5 19151.4 623.779 164
   4  -6  -5 17684.7 587.687 148
   4  -6  -5 19858.8 631.878 137
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   4  -6  -4 2775.10 166.721  89
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   4  -6  -4 2857.38 165.307  14
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   4  -6  -4 2657.97 161.811   8
   4  -6  -4 2566.17 164.143  12
   4  -6  -4 2626.83 161.064  11
   4  -6  -4 2724.02 164.496  95
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   4  -6  -4 2626.35 175.060 164
   4  -6  -4 2547.94 145.154 148
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   4  -6  -3 11976.5 432.819  89
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   4  -6  -3 12783.9 438.689  14
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   4  -6  -3 12145.2 431.528   8
   4  -6  -3 12581.2 439.361  12
   4  -6  -3 11872.3 431.950  11
   4  -6  -3 11568.8 436.370 115
   4  -6  -3 12663.6 428.443  95
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   4  -6  -3 12661.2 449.467 164
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   4  -6  -3 12193.8 423.092 153
   4  -6  -3 11675.5 442.541 137
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   4  -6  -2 4943.94 229.859   8
   4  -6  -2 4926.56 234.567  11
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   4  -6  -1 757.306 106.303   8
   4  -6  -1 862.075 114.550  11
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   4  -6  -1 720.198 88.5706  95
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   4  -6  -1 632.001 101.045 137
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   4  -6   0 852.487 113.739  12
   4  -6   0 527.909 97.5383   8
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   4  -6   0 645.929 99.6880 115
   4  -6   0 749.693 83.4514  95
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   4  -6   0 698.360 103.610 153
   4  -6   0 637.764 103.264 137
   4  -6   0 632.148 103.899 164
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   4  -6   1 2072.86 154.062  14
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   4  -6   1 2273.46 157.459  12
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   4  -6   1 2372.96 168.656 153
   4  -6   1 1978.29 156.135 164
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   4  -6   2 4609.62 228.787  14
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   4  -6   2 4327.13 221.993   8
   4  -6   2 4285.44 224.058  12
   4  -6   2 4585.05 228.676  11
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   4  -6   3 8762.01 340.156   8
   4  -6   3 8677.22 337.446  12
   4  -6   3 8631.70 337.262  11
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   4  -6   3 8784.56 322.113 122
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   4  -6   3 8097.46 339.252 164
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   4  -6   3 8542.75 355.437 153
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   4  -6   4 3462.02 183.949  14
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   4  -6   4 3580.93 186.923   8
   4  -6   4 3188.58 180.989  12
   4  -6   4 3407.19 181.763  11
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   4  -6   4 3115.78 162.555 122
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   4  -6   5 5414.46 217.159   8
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   4  -6   6 12638.0 427.826  89
   4  -6   6 12361.4 439.846 131
   4  -6   6 11677.5 406.436 163
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   4  -6   6 13030.9 414.398  14
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   4  -1   5 2565.24 344.410   6
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   4  -1   5 2354.45 145.532  12
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   4  -1   5 2154.30 154.744 114
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   4  -1   5 2183.11 328.912  51
   4  -1   5 2730.79 381.807  40
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   4  -1   5 1757.70 311.744  39
   4  -1   5 1698.58 298.670  48
   4  -1   5 1791.50 336.453  46
   4  -1   5 2511.74 319.393  42
   4  -1   5 2217.20 338.296  52
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   4  -1   5 2056.30 128.095  90
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   4  -1   5 2179.89 125.344  84
   4  -1   5 2202.61 126.431  68
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   5   1   8 1489.79 130.055 118
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   5   1   8 1487.23 326.124  51
   5   1   8 956.079 298.710  40
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   5   1   8 1090.11 272.151  39
   5   1   8 899.705 243.624  52
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   5   1   8 1332.91 135.353  63
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   5   1   8 1454.60 325.371  53
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   5   1   9 5617.42 578.473  30
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   5   1   9 6372.78 249.545  11
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   5   1   9 6741.72 302.766 154
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   5   1   9 6312.14 274.022 126
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   5   1   9 6814.70 284.114 108
   5   1   9 6305.42 287.550 118
   5   1   9 6729.30 616.397  51
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   5   1   9 4682.74 488.144  39
   5   1   9 5256.40 589.986  40
   5   1   9 5735.40 558.999  52
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   5   1   9 6359.99 293.270  89
   5   1   9 6836.93 297.508  74
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   5   1   9 7084.51 306.521  63
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   5   1   9 5431.55 567.717  53
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   5   1  10 2077.35 157.609 154
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   5   1  10 2146.63 142.573 126
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   5   1  10 1983.19 150.371 118
   5   1  10 1958.97 159.614 114
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   5   1  10 2326.49 369.604  51
   5   1  10 1806.34 367.706  40
   5   1  10 2238.64 385.335  46
   5   1  10 2261.32 357.840  52
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   5   1  10 2107.29 159.296  63
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   5   1  10 2145.45 346.746  53
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   5   1  11 2197.55 156.001 154
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   5   1  11 2066.18 147.148 108
   5   1  11 2065.57 154.293 118
   5   1  11 1861.07 152.688 114
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   5   1  11 1936.02 335.456  51
   5   1  11 2611.60 403.967  46
   5   1  11 1877.01 334.372  52
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  -5   1 -11 2037.87 149.176  86
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   5   1  11 2039.23 154.004  74
   5   1  11 2085.38 152.149  63
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   5   1  11 1935.78 304.105  53
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   5   1  12 148.673 71.0179 154
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   5   1  12 239.232 75.2918 108
   5   1  12 132.672 77.6325 118
   5   1  12 128.268 75.3036 114
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   5   1  12 178.416 142.310  51
   5   1  12 209.409 156.228  46
   5   1  12 270.230 188.514  52
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   5   1  12 136.069 79.2923  89
   5   1  12 148.079 77.7604  74
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   5   1  12 215.318 72.8523  63
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   5   1  13 5435.22 238.410 108
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   5   1  13 5749.77 249.599 118
   5   1  13 5898.88 249.811 114
   5   1  13 5030.19 444.982  51
   5   1  13 5630.77 533.858  40
   5   1  13 4984.66 490.540  46
   5   1  13 5405.40 493.009  52
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   5   1  13 5236.30 245.426  89
   5   1  13 5440.60 247.108  74
   5   1  13 5674.10 237.460  63
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   5   1  14 4914.25 445.906  52
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   5   1  14 5473.95 235.294  89
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   5   1  15 2878.82 147.958  89
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   5   1  15 2896.30 145.487 117
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   5   1  16 4570.47 172.510 117
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   5   1  16 4314.74 164.896 167
   5   1  16 4436.45 176.165  74
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   5   1  17 383.955 45.2511  89
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   5   2 -15 109.050 48.5975  88
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   5   2 -15 97.3253 51.5700 110
   5   2 -15 144.552 56.5326 129
   5   2 -15 143.361 44.3848  79
   5   2 -15 174.995 51.2859  78
   5   2 -15 103.916 50.2814  76
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   5   2 -14 396.007 66.0374 109
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   5   2 -14 435.939 74.9073 104
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   5   2 -14 306.809 75.3032 110
   5   2 -14 297.493 69.7836 129
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   5   2 -14 344.346 67.7112  81
   5   2 -14 272.540 61.9003  88
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   5   2 -14 455.171 69.0913  78
   5   2 -14 356.952 59.9207  77
   5   2 -14 359.333 70.2374  76
   5   2 -14 297.806 53.0822  69
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   5   2 -13 10693.7 380.708 104
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   5   2 -12 14011.5 808.180  47
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   5   2 -12 15260.9 496.513  88
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   5   2 -11 3950.04 194.897 104
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   5   2 -11 3845.42 198.487 110
   5   2 -11 3759.68 182.600 129
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   5   2 -11 3504.02 428.886  48
   5   2 -11 2962.98 365.495  47
   5   2 -11 3466.63 428.350  38
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   5   2 -11 3505.66 179.367  54
   5   2 -10 17572.9 1027.51  36
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   5   2 -10 18846.4 1084.72  32
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   5   2 -10 18998.8 601.524 120
   5   2 -10 19260.8 631.626 104
   5   2 -10 18644.9 611.271 129
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   5   2 -10 18434.4 1076.07  48
   5   2 -10 19811.0 1019.91  47
   5   2 -10 17641.0 985.014  39
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   5   2 -10 19364.2 628.579  81
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   5   2  -9 229.707 171.503  32
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   5   2  -9 351.056 79.2701 129
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   5   2  -9 480.124 229.604  48
   5   2  -9 394.390 196.684  47
   5   2  -9 291.087 194.544  39
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   5   2  -9 269.820 89.1780  81
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   5   2  -9 412.979 87.2321  78
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   5   2  -9 254.175 69.3268  62
   5   2  -9 462.790 93.2637  54
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   5   2  -8 2045.87 365.285  36
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   5   2  -8 2515.31 377.102  32
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   5   2  -8 2074.76 136.700 120
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   5   2  -8 2015.59 144.895 129
   5   2  -8 1959.77 309.505  51
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   5   2  -8 2568.44 375.919  39
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   5   2  -8 2306.67 167.007  81
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   5   2  -8 2386.02 166.817  78
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   5   2  -8 2015.57 146.062  62
   5   2  -8 2015.44 156.329  54
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   5   2  -7 2048.15 376.671  36
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   5   2  -7 1925.89 344.182  32
   5   2  -7 2884.95 420.586  26
   5   2  -7 2388.16 388.794  38
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  -5   2   7 2789.55 387.690   7
  -5   2   7 2986.53 168.285  10
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   5   2  -7 2840.84 159.576 120
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   5   2  -7 2746.11 164.325 129
   5   2  -7 2809.51 365.835  51
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   5   2  -7 2818.81 421.114  48
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   5   2  -7 2882.63 187.792  81
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   5   2  -7 2574.94 178.846  78
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   5   2  -7 2873.30 176.795  73
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   5   2  -7 2926.03 184.979  79
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   6  -1  -6 4234.24 212.519  79
   6  -1  -6 4397.35 211.184  78
   6  -1  -6 2892.59 165.191  76
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   6  -1  -6 4581.40 228.249  73
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   6  -1  -6 4483.46 214.276  63
   6  -1  -6 4535.70 223.431  62
   6  -1  -6 4190.43 482.171  53
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   6  -1  -6 4383.17 190.417  54
   6  -1  -5 1602.37 317.066  36
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   6  -1  -5 1998.54 147.533  12
   6  -1  -5 2105.46 156.002  11
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   6  -1  -5 2061.67 157.092 164
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   6  -1  -5 2349.94 169.028 155
   6  -1  -5 1965.86 144.326 120
   6  -1  -5 2001.63 136.102 104
   6  -1  -5 1901.94 119.527 110
   6  -1  -5 2137.10 153.570  95
   6  -1  -5 1705.53 326.688  51
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   6  -1  -5 1961.73 320.905  39
   6  -1  -5 1986.04 365.661  48
   6  -1  -5 2106.32 338.374  46
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   6  -1  -5 2018.64 136.905  81
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   6  -1  -5 2147.69 142.577  78
  -6  -1   5 2008.85 144.047  71
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   6  -1  -5 1998.73 150.712  73
   6  -1  -5 2150.31 146.882  79
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   6  -1  -5 2174.25 147.781  63
   6  -1  -5 2179.01 150.858  62
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   6  -1  -5 2011.69 122.571  54
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   6  -1  -4 1859.40 342.325  36
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   6  -1  -4 1380.11 310.691  38
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   6  -1  -4 1568.63 123.430 104
   6  -1  -4 1889.71 147.388  95
   6  -1  -4 2054.18 358.178  51
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   6  -1  -4 1852.56 335.647  39
   6  -1  -4 1588.53 299.883  46
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  -6  -1   4 1887.80 141.766  85
   6  -1  -4 1567.17 121.162  81
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   6  -1  -4 1799.00 130.712  78
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   6  -1  -4 1787.51 142.642  62
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   6  -1  -4 2293.15 374.063  53
   6  -1  -3 4457.06 524.700  36
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   6  -1  -3 4685.52 535.853   6
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   6  -1  -3 4245.84 233.163  12
   6  -1  -3 5001.95 244.290  11
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   6  -1  -3 3883.22 196.218 104
   6  -1  -3 4548.92 235.764  95
   6  -1  -3 4268.00 508.465  48
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   6  -1  -2 713.870 247.412  38
   6  -1  -2 970.626 293.264   6
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   6  -1  -2 735.918 117.038  11
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   6   4  -4 1916.44 127.504  81
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   6   4  -4 1744.13 112.423  73
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   6   4  -4 1941.35 124.527  54
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   6   4  -3 11459.5 388.252  73
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   7   1   0 120.543 52.1854  81
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   7   1   0 128.185 52.5836  78
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   7   1   0 188.493 59.2598  63
   7   1   0 137.879 56.0847  62
   7   1   0 267.871 163.511  53
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   7   1   1 3164.70 162.697  12
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   7   1   1 3194.53 162.745 154
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   7   1   1 2931.79 354.374  51
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   7   1   1 3165.67 145.917  78
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   7   1   1 2876.21 359.574  53
   7   1   1 3370.16 156.086  63
   7   1   1 3244.81 155.631  62
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   7   1   2 2081.85 132.163  12
   7   1   2 2456.72 137.233  11
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   7   1   2 1933.13 131.246 154
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   7   1   2 2110.60 132.170  95
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   7   1   2 1545.87 103.359  78
   7   1   2 1897.83 121.586  73
   7   1   2 2116.75 119.812  79
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   7   1   2 2011.23 124.367  63
   7   1   2 1986.62 122.648  62
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   7   1   3 276.090 66.8368  12
   7   1   3 342.851 68.0736  11
   7   1   3 220.184 70.6768  95
   7   1   3 263.133 59.1407 117
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   7   1   3 219.230 66.0745 154
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   7   1   3 258.666 60.8991  73
   7   1   3 224.997 52.3983  79
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   7   1   3 272.447 61.9059  63
   7   1   3 63.4065 130.411  53
   7   1   3 247.470 56.5424  62
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   7   1   4 21945.0 634.613  12
   7   1   4 22364.7 634.360  11
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   7   1   4 21751.5 633.673 117
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   7   1   4 21321.6 649.908 154
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   7   1   4 20788.2 628.377  73
   7   1   4 21934.4 643.132  63
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   7   1   5 5156.50 197.045  11
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   7   1   5 4835.14 195.499  73
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   7   1   6 3217.21 134.832 126
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   7   1   6 3468.94 134.502  12
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   7   1   7 1092.73 87.1549 154
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   7   1   7 1168.08 84.5874 117
   7   1   7 1137.04 85.1151  95
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   7   1   8 2795.73 123.912 117
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   7   1   9 1699.86 86.5705 117
   7   1   9 1604.21 80.0300  95
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   7   2  -9 5352.40 192.127 155
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   7   2  -8 19095.2 555.532  79
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   7   2  -8 19067.8 546.890 110
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   7   2  -7 9483.71 279.402 110
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   7   2  -6 8539.35 290.561 155
   7   2  -6 8043.41 268.481  83
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   7   2  -6 8618.73 283.815  81
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   7   2  -6 8301.84 266.723  12
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   7   2  -5 23077.8 663.195  12
   7   2  -5 21036.2 655.857  11
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   7   2  -5 23299.9 671.184 104
   7   2  -5 22465.8 656.194 110
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   7   2  -5 23314.3 679.221 155
   7   2  -5 22751.5 657.471  83
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   7   2  -5 23351.7 672.984  78
   7   2  -5 23080.9 661.746  76
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   7   2  -5 23601.9 671.449  62
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   7   2  -4 2947.53 145.812  81
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   7   2  -4 2737.76 142.253  73
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   7   2  -4 2971.33 146.603  62
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   7   2  -3 6316.27 229.898  12
   7   2  -3 6128.72 227.492  11
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   7   2  -3 6404.01 220.664 154
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   7   2  -3 6448.95 226.515  81
   7   2  -3 6148.12 224.687  78
   7   2  -3 6618.65 219.390  76
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   7   2  -3 6703.30 231.247  73
   7   2  -3 6138.94 227.447  79
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   7   2  -3 6440.82 228.012  62
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   7   2  -2 1528.86 116.298  11
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   7   2  -2 1564.87 101.567  95
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   7   2  -2 1728.09 111.885 155
   7   2  -2 1585.36 111.203 154
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   7   2  -2 1447.05 104.955  81
   7   2  -2 1682.56 111.391  78
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   7   2  -2 1584.60 108.656  73
   7   2  -2 1695.58 113.519  79
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   7   2  -2 1454.57 106.348  62
   7   2  -1 2072.07 128.893  11
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   7   2  -1 1996.68 116.916  95
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  -7   2   1 2034.38 124.263 138
   7   2  -1 1871.24 116.453 155
   7   2  -1 1864.01 121.392 154
  -7   2   1 2011.60 109.546  92
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   7   2  -1 1985.98 118.229  81
   7   2  -1 2072.39 120.799  78
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  -7   2   1 1705.67 106.849  70
   7   2  -1 2058.26 123.038  73
   7   2  -1 1933.41 123.263  79
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   7   2   0 5823.57 211.956  12
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   7   2   0 5395.56 194.924  95
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   7   2   0 4851.41 181.920 155
   7   2   0 5572.32 207.839 154
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   7   2   0 5459.84 195.116  81
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   7   2   0 5568.89 198.457  78
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   7   2   0 5900.47 205.160  79
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   7   2   0 5342.34 185.029  63
   7   2   0 5473.90 203.445  62
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   7   2   1 1789.83 120.360  12
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   7   2   1 1675.10 112.166  95
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   7   2   1 1592.37 96.9101 155
   7   2   1 1748.35 118.119 154
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   7   2   1 1575.06 105.518  81
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   7   2   1 1734.69 109.782  78
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   7   2   1 1659.51 111.134  79
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   7   2   1 1531.29 101.193  63
   7   2   1 1660.21 113.196  62
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   7   2   2-14.0006 56.7656  12
   7   2   2-4.59334 55.6836  11
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   7   2   2 23.5712 55.5833  95
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   7   2   2-5.13461 56.9752 154
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   7   2   2 33.4450 50.1608  73
   7   2   2 17.6080 52.2711  79
   7   2   2 16.8670 46.4120  78
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   7   2   2 29.4822 44.8111  63
   7   2   2 9.40605 48.7034  62
  -7   2  -2 21.7717 43.8224  57
  -7   2  -3 14762.1 436.323  15
  -7   2  -3 14427.4 436.672  13
   7   2   3 14500.5 440.010  12
   7   2   3 14196.7 438.406  11
  -7   2  -3 14445.6 434.638  10
  -7   2  -3 13833.3 441.095 125
   7   2   3 14348.8 445.925  95
  -7   2  -3 13277.0 432.503 135
  -7   2  -3 13634.6 425.005 150
  -7   2  -3 13556.3 422.702  85
   7   2   3 13110.0 425.483  78
   7   2   3 14148.0 442.264  73
   7   2   3 13443.0 430.747  79
  -7   2  -3 13839.5 429.021  65
   7   2   3 14290.6 436.721  63
   7   2   3 13692.7 436.133  62
  -7   2  -4 1126.37 86.1232 135
  -7   2  -4 1046.12 82.7505 150
  -7   2  -4 1023.69 75.2365  85
  -7   2  -4 1202.11 90.2475 125
   7   2   4 908.127 71.9076 117
   7   2   4 1072.46 91.3550  95
   7   2   4 1018.37 77.4975  78
   7   2   4 1158.06 88.5766  73
   7   2   4 1066.57 82.8054  79
  -7   2  -4 1176.59 83.9447  15
  -7   2  -4 1068.04 81.3830  13
   7   2   4 1124.47 87.4048  12
   7   2   4 1161.25 84.9450  11
  -7   2  -4 1156.82 82.7824  10
  -7   2  -5 20570.9 609.282 135
   7   2   5 20791.0 620.574 154
  -7   2  -5 21003.6 607.858 150
  -7   2  -5 21692.0 608.719  91
  -7   2  -5 21029.4 613.386 125
   7   2   5 21048.8 594.972 117
   7   2   5 20742.0 618.525  95
   7   2   5 20773.4 607.954  73
   7   2   5 19886.5 593.515  79
  -7   2  -5 21605.2 594.286  15
  -7   2  -5 19930.8 593.785  13
   7   2   5 21742.0 599.226  12
   7   2   5 21032.1 596.255  11
  -7   2  -5 22242.6 595.725  10
  -7   2  -6 1496.96 86.3450  91
  -7   2  -6 1518.02 91.7229 125
   7   2   6 1376.92 80.5348 117
   7   2   6 1417.12 94.1652  95
   7   2   6 1451.26 97.2916 154
  -7   2  -6 1627.82 93.5390 150
  -7   2  -6 1354.93 70.4703  15
  -7   2  -6 1292.68 73.5970  13
   7   2   6 1297.07 74.4322  12
  -7   2  -7 2712.31 116.295  91
  -7   2  -7 2832.40 125.047 125
   7   2   7 2825.75 119.162 117
   7   2   7 2939.59 131.236 154
  -7   2  -7 3105.10 128.217 150
  -7   2  -8 903.551 62.5191 125
   7   2   8 923.859 59.3697 117
  -7   2  -9 1818.92 78.9888 119
  -7   3   8 327.660 38.3260  92
  -7   3   8 330.227 36.6111 125
   7   3  -8 327.381 39.3409 104
   7   3  -8 364.607 41.8317 155
  -7   3   7 7166.53 229.468  92
  -7   3   7 7473.52 222.017  87
  -7   3   7 7038.85 228.231 125
  -7   3   7 6657.50 216.971 123
   7   3  -7 7362.38 226.857 110
  -7   3   7 6819.26 221.763 138
   7   3  -7 7023.09 232.493 155
  -7   3   6 5409.95 176.679  85
   7   3  -6 5165.62 183.441  81
  -7   3   6 4687.72 168.895  87
  -7   3   6 4916.66 179.385 125
  -7   3   6 4781.43 173.214 123
   7   3  -6 4776.52 176.523 110
   7   3  -6 5227.27 182.178  79
   7   3  -6 5233.36 182.758  78
  -7   3   6 4889.24 177.953 138
   7   3  -6 4880.55 183.849 155
  -7   3   5 4964.51 187.061 138
   7   3  -5 4864.00 188.154 155
   7   3  -5 5184.31 185.451  83
  -7   3   5 5337.78 188.368  92
  -7   3   5 5237.53 184.439  85
  -7   3   5 5105.87 174.557  87
  -7   3   5 4958.79 185.726 125
  -7   3   5 4899.51 182.320 123
   7   3  -5 4987.22 182.972 110
   7   3  -5 5259.17 190.854  78
   7   3  -5 5135.18 189.258  79
  -7   3   5 5192.74 179.465  15
  -7   3   5 5114.58 175.625  13
   7   3  -5 4862.10 177.841  12
   7   3  -5 4752.35 176.760  11
  -7   3   5 5174.09 174.487  10
   7   3  -4 1728.61 100.219 155
   7   3  -4 1533.24 93.8266 154
  -7   3   4 1719.12 99.6249  92
  -7   3   4 1665.27 82.0427  91
  -7   3   4 1896.59 100.529  85
  -7   3   4 1849.46 100.841 125
  -7   3   4 1943.11 102.390 123
   7   3  -4 1824.98 104.004 104
   7   3  -4 1862.99 99.0885 110
   7   3  -4 1978.51 106.537  78
   7   3  -4 1806.29 100.667  76
   7   3  -4 1839.13 98.0310  73
   7   3  -4 1951.23 106.225  79
  -7   3   4 1977.50 102.194  15
  -7   3   4 1671.98 95.1032  13
   7   3  -4 1858.64 101.987  12
   7   3  -4 1848.21 102.596  11
  -7   3   4 1901.72 96.6887  10
  -7   3   3 833.950 67.1504 135
  -7   3   3 804.847 74.2760 138
   7   3  -3 889.175 73.6233 155
  -7   3   3 839.744 72.0931  92
  -7   3   3 653.639 57.7155  91
  -7   3   3 928.130 74.3574  85
   7   3  -3 786.050 74.0987  81
  -7   3   3 725.896 66.9742 125
  -7   3   3 779.110 70.0718 123
   7   3  -3 803.961 73.8288  76
   7   3  -3 728.280 69.3051  73
   7   3  -3 707.638 72.3623  79
  -7   3   3 794.440 70.9489  13
   7   3  -3 810.703 76.9995  12
   7   3  -3 797.775 76.3095  11
  -7   3   3 836.034 72.9979  10
  -7   3   2 966.122 72.1766 135
  -7   3   2 810.549 76.9952 138
   7   3  -2 837.642 70.3554 155
  -7   3   2 947.011 74.5641  92
  -7   3   2 845.035 68.1277  91
  -7   3   2 1014.50 79.1172  85
   7   3  -2 946.427 79.8040  81
  -7   3   2 798.698 73.3675 125
  -7   3   2 958.396 79.1313 123
   7   3  -2 980.843 78.1708  73
  -7   3   2 898.286 77.1788  13
   7   3  -2 764.173 79.0662  11
  -7   3   2 806.375 75.7837  10
  -7   3   1 1743.25 98.6529 135
  -7   3   1 1515.78 98.3708 138
   7   3  -1 1292.00 83.5669 155
   7   3  -1 1614.63 104.325 154
  -7   3   1 1484.96 89.4996  92
  -7   3   1 1565.52 93.2617  91
   7   3  -1 1624.66 101.573  81
  -7   3   1 1599.99 96.3716 125
   7   3  -1 1310.21 78.1205  95
   7   3  -1 1738.37 104.939  78
   7   3  -1 1573.77 99.1559  73
   7   3  -1 1629.07 106.017  11
  -7   3   1 1931.97 105.973  10
  -7   3   0 3564.79 152.875 135
   7   3   0 3025.14 128.027 155
   7   3   0 3483.00 160.990 154
  -7   3   0 3584.92 139.418  92
  -7   3   0 3508.44 149.356  91
   7   3   0 3500.79 154.765  81
  -7   3   0 3519.21 151.880 125
   7   3   0 3332.63 137.722  95
   7   3   0 3672.34 156.589  78
   7   3   0 3725.93 158.054  73
  -7   3   0 3452.03 153.936  13
   7   3   0 3359.65 156.377  12
  -7   3   0 3514.17 153.406  10
  -7   3  -1 9403.63 312.187 135
  -7   3  -1 9091.71 309.003  91
   7   3   1 9664.27 315.174  81
  -7   3  -1 9244.04 310.093  85
  -7   3  -1 9528.50 311.849 125
   7   3   1 9346.72 303.447  95
   7   3   1 9189.51 313.216  78
   7   3   1 10305.4 322.095  73
   7   3   1 9670.36 319.242  79
  -7   3  -1 10318.1 319.425  13
   7   3   1 9611.21 319.077  12
  -7   3  -2 1827.30 103.373 135
  -7   3  -2 1675.04 100.223  91
  -7   3  -2 1828.58 99.9454  85
  -7   3  -2 1581.44 96.7426 125
   7   3   2 1601.73 96.0296  95
   7   3   2 1628.12 100.486  78
   7   3   2 1705.27 103.411  73
   7   3   2 1792.25 104.259  79
  -7   3  -2 1923.96 104.846  13
   7   3   2 1622.03 101.634  12
   7   3   2 1976.44 106.604  11
  -7   3  -2 1868.01 102.958  10
  -7   3  -3 945.522 75.0999 135
   7   3   3 932.714 81.5355 154
  -7   3  -3 851.920 62.7172 150
  -7   3  -3 845.506 72.7308  91
  -7   3  -3 889.429 69.6117  85
  -7   3  -3 850.330 69.9088 125
   7   3   3 831.496 71.3605  95
   7   3   3 920.330 75.4158  78
   7   3   3 933.908 76.5358  79
  -7   3  -3 949.349 72.2187  15
  -7   3  -3 923.855 72.9499  13
   7   3   3 983.422 77.0329  12
   7   3   3 891.884 74.5380  11
  -7   3  -3 890.026 71.5487  10
   7   3   4 20186.3 575.611 154
  -7   3  -4 19501.1 554.734 150
  -7   3  -4 19886.5 563.681  91
  -7   3  -4 18684.8 549.839  85
   7   3   4 18951.0 558.280  78
   7   3   4 20519.1 570.455  73
   7   3   4 18755.2 561.577  79
  -7   3  -4 19498.6 560.204 125
   7   3   4 20458.3 567.227  95
  -7   3  -4 19274.8 551.614  15
  -7   3  -4 18674.0 552.415  13
   7   3   4 19493.6 557.026  12
   7   3   4 20641.1 557.527  11
  -7   3  -4 21060.3 555.263  10
  -7   3  -5 6421.13 215.048 125
   7   3   5 7257.54 227.014  95
   7   3   5 6677.16 228.140 154
  -7   3  -5 6741.39 215.926 150
  -7   3  -5 6360.85 200.064  15
  -7   3  -5 6194.35 203.930  13
   7   3   5 6321.14 204.690  12
  -7   3  -5 6512.72 202.541  10
   7   3   6 2193.12 101.274 154
  -7   3  -6 2235.75 96.7783 150
  -7   3  -6 1965.23 89.1346 125
   7   3   6 2031.71 100.155  95
  -7   3  -6 2026.62 93.7732  91
  -7   3  -7 4114.93 142.394 150
   7   3   7 4179.25 146.831  95
  -7   4   4 2947.67 116.845 138
   7   4  -4 3078.77 119.468 104
  -7   4   4 3277.57 117.006  92
  -7   4   3 664.439 51.5352 123
   7   4  -3 719.917 54.1141 110
  -7   4   3 643.649 53.1652 138
   7   4  -3 687.567 53.8814 154
  -7   4   3 652.653 48.0466  13
   7   4  -3 648.284 51.9735  12
   7   4  -3 524.100 48.9861  11
  -7   4   3 537.997 48.0400  10
  -7   4   3 598.110 50.2025  92
  -7   4   2 2020.43 90.9358 123
  -7   4   2 1936.96 85.7456  92
  -7   4   2 1980.27 90.1284  13
   7   4  -2 1881.42 92.4899  12
  -7   4   2 2010.83 89.1502  10
  -7   4   2 1813.92 85.7932 135
   7   4  -2 1830.15 91.5830 154
  -7   4   1 12613.6 364.675  85
   7   4  -1 11958.9 366.954  11
  -7   4   1 12953.9 365.537  10
  -7   4   1 11936.1 362.462 135
   7   4  -1 12667.2 372.511 154
  -7   4   0 798.365 59.8568  85
  -7   4   0 869.861 61.1728  13
   7   4   0 770.424 62.7411  12
  -7   4   0 775.928 59.3399  10
  -7   4   0 896.700 61.2254 135
  -7   4  -1 2889.54 114.229  91
  -7   4  -1 3229.36 124.824  13
   7   4   1 3247.21 126.953  12
   7   4   1 3353.30 132.890 154
  -7   4  -2 381.044 40.3413  91
  -7   4  -2 403.844 42.6832  10
  -7   4  -2 433.981 43.2399  15
  -7   4  -2 477.586 43.6377  13
   7   4   2 417.847 44.7140  12
   7   4   2 328.958 42.6983  11
   7   4   2 450.049 50.3271 154
  -7   4  -3 3687.69 131.780  91
  -7   4  -3 3848.96 136.454 135
   7   4   3 3980.69 143.098 154
   0   0   0    0.00    0.00   0
TITL elg_h2 in P2(1)
REM P2(1) (#4 in standard setting)
CELL 1.54184   6.238398   7.435501  18.320319  90.0000  91.4183  90.0000
ZERR    2.00   0.000030   0.000050   0.000086   0.0000   0.0004   0.0000
LATT -1
SYMM -x, y+1/2,-z
SFAC C H N O S
UNIT 30.00 36.00 4.00 10.00 4.00
REM  CrysAlisPro recorded range (K): Min=99.9; max=100.1; aver:100.0
TEMP -173
TREF
HKLF 4
END
;
_shelx_hkl_checksum              77940
_shelx_res_file
;
TITL elg_h2 in P2(1)
    shelx.res
    created by SHELXL-2018/3 at 09:57:41 on 24-Apr-2023
CELL 1.54184 6.238398 7.435501 18.320319 90 91.4183 90
ZERR     2   0.00006  0.00010   0.00017   0  0.0008 0
LATT -1
SYMM -X,0.5+Y,-Z
SFAC C H N O S
UNIT 30 38 6 10 4
EQIV $1 3-X,0.5+Y,1-Z
EQIV $2 1+X,-1+Y,+Z
EQIV $3 -1+X,+Y,+Z
EQIV $4 1+X,+Y,+Z
EQIV $5 2-X,-0.5+Y,1-Z
EQIV $6 +X,-1+Y,+Z
SADI O5 H05 O4 H04 O2 H02 O3 H03
L.S. 6
PLAN  5
SIZE 0.1 0.08 0.02
TEMP -173
CONF
HTAB O2 O3_$1
HTAB O3 O4_$1
HTAB O4 N3_$2
HTAB O5 N4_$2
HTAB O5 N3_$2
HTAB N1 O5_$3
HTAB C14 S1_$4
HTAB C15 O2_$5
HTAB C11 O3_$3
HTAB C16 S2_$6
MORE -1
fmap 2
acta 154
BOND $H
PLAN 10
WGHT    0.028900    0.257300
EXTI    0.000855
FVAR       6.05794
S1    5    0.686791    0.565204    0.743372    11.00000    0.01271    0.01113 =
         0.01736    0.00076    0.00360    0.00212
C2    1    0.740147    0.761891    0.696519    11.00000    0.01343    0.01292 =
         0.01606   -0.00021    0.00066    0.00047
N3    3    0.613821    0.894806    0.711658    11.00000    0.01590    0.01457 =
         0.01884    0.00200    0.00428    0.00287
N4    3    0.459403    0.850479    0.762616    11.00000    0.01473    0.01639 =
         0.01832    0.00156    0.00496    0.00239
C5    1    0.471251    0.680740    0.781159    11.00000    0.01270    0.01552 =
         0.01400   -0.00130    0.00038    0.00208
C11   1    1.026740    0.567357    0.613308    11.00000    0.01234    0.01146 =
         0.01487    0.00078    0.00198    0.00060
AFIX  13
H11   2    0.908249    0.505970    0.585259    11.00000   -1.20000
AFIX   0
C12   1    1.226293    0.582511    0.566921    11.00000    0.01218    0.01199 =
         0.01330    0.00152    0.00158    0.00049
AFIX  13
H12   2    1.336334    0.656908    0.593626    11.00000   -1.20000
AFIX   0
C13   1    1.319581    0.395844    0.552367    11.00000    0.01140    0.01394 =
         0.01450   -0.00059    0.00312    0.00022
AFIX  13
H13   2    1.225617    0.331025    0.516019    11.00000   -1.20000
AFIX   0
C14   1    1.342097    0.284440    0.621587    11.00000    0.01408    0.01026 =
         0.01452    0.00002    0.00314    0.00099
AFIX  13
H14   2    1.457744    0.336867    0.653816    11.00000   -1.20000
AFIX   0
C15   1    1.129659    0.286188    0.662002    11.00000    0.01401    0.01034 =
         0.01625   -0.00131    0.00342    0.00106
AFIX  13
H15   2    1.014260    0.235018    0.629328    11.00000   -1.20000
AFIX   0
C16   1    1.135133    0.183299    0.733506    11.00000    0.01538    0.01525 =
         0.01736    0.00170    0.00329    0.00071
AFIX  23
H16A  2    1.005890    0.214160    0.761185    11.00000   -1.20000
H16B  2    1.129897    0.052814    0.722861    11.00000   -1.20000
AFIX   0
O1    4    1.077951    0.471150    0.678450    11.00000    0.01597    0.01017 =
         0.01443    0.00096    0.00396    0.00266
O2    4    1.168907    0.668625    0.500269    11.00000    0.01458    0.01507 =
         0.01620    0.00530    0.00169   -0.00091
H02   2    1.263648    0.739867    0.490754    11.00000    0.03811
O3    4    1.529059    0.417581    0.523486    11.00000    0.01470    0.01661 =
         0.01940    0.00486    0.00736    0.00299
H03   2    1.522119    0.481799    0.485665    11.00000    0.02931
O4    4    1.398910    0.104505    0.602284    11.00000    0.02020    0.01217 =
         0.01626   -0.00002    0.00394    0.00462
H04   2    1.470979    0.066577    0.636462    11.00000    0.02991
O5    4    1.322528    0.220727    0.778219    11.00000    0.02112    0.01349 =
         0.01875    0.00063   -0.00097    0.00270
H05   2    1.382023    0.121514    0.783091    11.00000    0.03243
N1    3    0.341669    0.586097    0.825577    11.00000    0.01487    0.01270 =
         0.01929    0.00091    0.00353    0.00121
H01   2    0.352553    0.473156    0.822967    11.00000    0.02027
C21   1    0.156690    0.645366    0.861296    11.00000    0.01202    0.02077 =
         0.01355   -0.00093    0.00069    0.00198
C22   1    0.039330    0.512943    0.896910    11.00000    0.01770    0.02023 =
         0.01949    0.00047    0.00129    0.00077
AFIX  43
H22   2    0.082328    0.390608    0.894194    11.00000   -1.20000
AFIX   0
C23   1   -0.139569    0.559478    0.936179    11.00000    0.01566    0.03011 =
         0.02070    0.00270    0.00381   -0.00372
AFIX  43
H23   2   -0.216466    0.468512    0.960842    11.00000   -1.20000
AFIX   0
C24   1   -0.208514    0.737488    0.940084    11.00000    0.01410    0.03090 =
         0.02114   -0.00806    0.00352    0.00004
C25   1   -0.092451    0.866680    0.903514    11.00000    0.01969    0.02252 =
         0.02714   -0.00456    0.00490    0.00418
AFIX  43
H25   2   -0.138366    0.988413    0.905038    11.00000   -1.20000
AFIX   0
C26   1    0.090066    0.823363    0.864463    11.00000    0.01767    0.01944 =
         0.02169    0.00011    0.00461    0.00123
AFIX  43
H26   2    0.167780    0.914713    0.840330    11.00000   -1.20000
AFIX   0
S2    5    0.949835    0.794728    0.636453    11.00000    0.01492    0.01015 =
         0.01939    0.00078    0.00557    0.00117
C27   1   -0.402915    0.788590    0.983273    11.00000    0.01953    0.03860 =
         0.03895   -0.01331    0.01117   -0.00298
AFIX 137
H27A  2   -0.533285    0.765916    0.953762    11.00000   -1.50000
H27B  2   -0.395250    0.916469    0.996023    11.00000   -1.50000
H27C  2   -0.406140    0.716487    1.028010    11.00000   -1.50000
AFIX   0
HKLF 4
REM  elg_h2 in P2(1)
REM wR2 = 0.0497, GooF = S = 1.031, Restrained GooF = 1.031 for all data
REM R1 = 0.0190 for 3502 Fo > 4sig(Fo) and 0.0191 for all 3520 data
REM 248 parameters refined using 7 restraints
END
WGHT      0.0289      0.2573
REM Highest difference peak  0.300,  deepest hole -0.206,  1-sigma level  0.035
Q1    1   1.1257  0.5748  0.5878  11.00000  0.05    0.30
Q2    1   1.2312  0.2868  0.6399  11.00000  0.05    0.23
Q3    1   1.3324  0.3497  0.5874  11.00000  0.05    0.22
Q4    1  -0.0066  0.8210  0.8815  11.00000  0.05    0.18
Q5    1   0.6385  0.5530  0.6919  11.00000  0.05    0.18
Q6    1   1.2692  0.4810  0.5635  11.00000  0.05    0.17
Q7    1   0.6974  0.6869  0.7122  11.00000  0.05    0.17
Q8    1   0.1515  0.7424  0.8789  11.00000  0.05    0.17
Q9    1   0.6255  0.8036  0.6863  11.00000  0.05    0.16
Q10   1   0.9235  0.8018  0.5808  11.00000  0.05    0.16
;
_shelx_res_checksum              1966
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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
S S1 0.68679(6) 0.56520(6) 0.74337(2) 0.01368(10) Uani d 1 . .
C C2 0.7401(3) 0.7619(2) 0.69652(9) 0.0141(4) Uani d 1 . .
N N3 0.6138(2) 0.8948(2) 0.71166(8) 0.0164(3) Uani d 1 . .
N N4 0.4594(2) 0.8505(2) 0.76262(8) 0.0164(3) Uani d 1 . .
C C5 0.4713(3) 0.6807(3) 0.78116(9) 0.0141(3) Uani d 1 . .
C C11 1.0267(2) 0.5674(3) 0.61331(9) 0.0129(3) Uani d 1 . .
H H11 0.908249 0.505970 0.585259 0.015 Uiso calc 1 . .
C C12 1.2263(3) 0.5825(3) 0.56692(9) 0.0125(3) Uani d 1 . .
H H12 1.336334 0.656908 0.593626 0.015 Uiso calc 1 . .
C C13 1.3196(3) 0.3958(3) 0.55237(9) 0.0132(3) Uani d 1 . .
H H13 1.225617 0.331025 0.516019 0.016 Uiso calc 1 . .
C C14 1.3421(3) 0.2844(3) 0.62159(9) 0.0129(3) Uani d 1 . .
H H14 1.457744 0.336867 0.653816 0.015 Uiso calc 1 . .
C C15 1.1297(3) 0.2862(3) 0.66200(9) 0.0135(3) Uani d 1 . .
H H15 1.014260 0.235018 0.629328 0.016 Uiso calc 1 . .
C C16 1.1351(3) 0.1833(3) 0.73351(10) 0.0159(3) Uani d 1 . .
H H16A 1.005890 0.214160 0.761185 0.019 Uiso calc 1 . .
H H16B 1.129897 0.052814 0.722861 0.019 Uiso calc 1 . .
O O1 1.07795(19) 0.47115(17) 0.67845(7) 0.0135(3) Uani d 1 . .
O O2 1.1689(2) 0.66863(19) 0.50027(7) 0.0153(3) Uani d 1 . .
H H02 1.264(4) 0.740(4) 0.4908(15) 0.038(8) Uiso d 1 . .
O O3 1.52906(19) 0.41758(19) 0.52349(7) 0.0168(3) Uani d 1 . .
H H03 1.522(4) 0.482(4) 0.4857(13) 0.029(7) Uiso d 1 . .
O O4 1.3989(2) 0.10451(18) 0.60228(7) 0.0162(3) Uani d 1 . .
H H04 1.471(4) 0.067(4) 0.6365(12) 0.030(7) Uiso d 1 . .
O O5 1.3225(2) 0.22073(19) 0.77822(7) 0.0178(3) Uani d 1 . .
H H05 1.382(4) 0.122(3) 0.7831(14) 0.032(8) Uiso d 1 . .
N N1 0.3417(2) 0.5861(2) 0.82558(8) 0.0156(3) Uani d 1 . .
H H01 0.353(4) 0.473(4) 0.8230(13) 0.020(6) Uiso d 1 . .
C C21 0.1567(3) 0.6454(3) 0.86130(9) 0.0154(3) Uani d 1 . .
C C22 0.0393(3) 0.5129(3) 0.89691(10) 0.0191(4) Uani d 1 . .
H H22 0.082328 0.390608 0.894194 0.023 Uiso calc 1 . .
C C23 -0.1396(3) 0.5595(3) 0.93618(10) 0.0221(4) Uani d 1 . .
H H23 -0.216466 0.468512 0.960842 0.027 Uiso calc 1 . .
C C24 -0.2085(3) 0.7375(3) 0.94008(11) 0.0220(4) Uani d 1 . .
C C25 -0.0925(3) 0.8667(3) 0.90351(11) 0.0230(4) Uani d 1 . .
H H25 -0.138366 0.988413 0.905038 0.028 Uiso calc 1 . .
C C26 0.0901(3) 0.8234(3) 0.86446(10) 0.0195(4) Uani d 1 . .
H H26 0.167780 0.914713 0.840330 0.023 Uiso calc 1 . .
S S2 0.94984(6) 0.79473(6) 0.63645(2) 0.01473(10) Uani d 1 . .
C C27 -0.4029(3) 0.7886(4) 0.98327(13) 0.0322(5) Uani d 1 . .
H H27A -0.533285 0.765916 0.953762 0.048 Uiso calc 1 . .
H H27B -0.395250 0.916469 0.996023 0.048 Uiso calc 1 . .
H H27C -0.406140 0.716487 1.028010 0.048 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
S1 0.01271(18) 0.0111(2) 0.01736(19) 0.00212(16) 0.00360(13) 0.00076(16)
C2 0.0134(8) 0.0129(10) 0.0161(8) 0.0005(6) 0.0007(6) -0.0002(7)
N3 0.0159(7) 0.0146(8) 0.0188(7) 0.0029(6) 0.0043(6) 0.0020(6)
N4 0.0147(7) 0.0164(8) 0.0183(7) 0.0024(6) 0.0050(6) 0.0016(6)
C5 0.0127(8) 0.0155(9) 0.0140(8) 0.0021(7) 0.0004(6) -0.0013(7)
C11 0.0123(7) 0.0115(8) 0.0149(7) 0.0006(7) 0.0020(6) 0.0008(7)
C12 0.0122(7) 0.0120(8) 0.0133(7) 0.0005(7) 0.0016(5) 0.0015(7)
C13 0.0114(8) 0.0139(9) 0.0145(8) 0.0002(6) 0.0031(6) -0.0006(7)
C14 0.0141(7) 0.0103(8) 0.0145(7) 0.0010(7) 0.0031(6) 0.0000(7)
C15 0.0140(7) 0.0103(8) 0.0163(7) 0.0011(7) 0.0034(6) -0.0013(7)
C16 0.0154(8) 0.0153(9) 0.0174(8) 0.0007(7) 0.0033(6) 0.0017(7)
O1 0.0160(6) 0.0102(6) 0.0144(6) 0.0027(5) 0.0040(4) 0.0010(5)
O2 0.0146(6) 0.0151(7) 0.0162(6) -0.0009(5) 0.0017(4) 0.0053(5)
O3 0.0147(6) 0.0166(7) 0.0194(6) 0.0030(5) 0.0074(5) 0.0049(5)
O4 0.0202(6) 0.0122(7) 0.0163(6) 0.0046(5) 0.0039(5) 0.0000(5)
O5 0.0211(7) 0.0135(7) 0.0188(6) 0.0027(5) -0.0010(5) 0.0006(5)
N1 0.0149(7) 0.0127(9) 0.0193(7) 0.0012(6) 0.0035(5) 0.0009(6)
C21 0.0120(8) 0.0208(10) 0.0136(7) 0.0020(7) 0.0007(6) -0.0009(7)
C22 0.0177(8) 0.0202(10) 0.0195(8) 0.0008(7) 0.0013(7) 0.0005(7)
C23 0.0157(8) 0.0301(11) 0.0207(8) -0.0037(9) 0.0038(6) 0.0027(9)
C24 0.0141(8) 0.0309(12) 0.0211(9) 0.0000(7) 0.0035(7) -0.0081(8)
C25 0.0197(9) 0.0225(11) 0.0271(10) 0.0042(8) 0.0049(8) -0.0046(8)
C26 0.0177(8) 0.0194(11) 0.0217(8) 0.0012(7) 0.0046(7) 0.0001(8)
S2 0.01492(19) 0.0101(2) 0.01939(19) 0.00117(15) 0.00557(14) 0.00078(16)
C27 0.0195(9) 0.0386(13) 0.0389(11) -0.0030(10) 0.0112(8) -0.0133(11)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C2 S1 C5 . . 86.59(9) y
N3 C2 S1 . . 114.31(13) y
N3 C2 S2 . . 119.74(14) y
S1 C2 S2 . . 125.88(10) y
C2 N3 N4 . . 113.29(16) y
C5 N4 N3 . . 111.44(15) y
N4 C5 N1 . . 128.67(17) y
N4 C5 S1 . . 114.15(14) y
N1 C5 S1 . . 117.17(15) y
O1 C11 C12 . . 109.56(13) ?
O1 C11 S2 . . 109.19(11) ?
C12 C11 S2 . . 106.59(13) ?
O1 C11 H11 . . 110.5 ?
C12 C11 H11 . . 110.5 ?
S2 C11 H11 . . 110.5 ?
O2 C12 C11 . . 108.70(13) ?
O2 C12 C13 . . 110.40(13) ?
C11 C12 C13 . . 110.38(15) ?
O2 C12 H12 . . 109.1 ?
C11 C12 H12 . . 109.1 ?
C13 C12 H12 . . 109.1 ?
O3 C13 C14 . . 107.70(13) ?
O3 C13 C12 . . 108.45(14) ?
C14 C13 C12 . . 112.14(14) ?
O3 C13 H13 . . 109.5 ?
C14 C13 H13 . . 109.5 ?
C12 C13 H13 . . 109.5 ?
O4 C14 C13 . . 108.79(13) ?
O4 C14 C15 . . 110.46(15) ?
C13 C14 C15 . . 109.59(13) ?
O4 C14 H14 . . 109.3 ?
C13 C14 H14 . . 109.3 ?
C15 C14 H14 . . 109.3 ?
O1 C15 C16 . . 107.46(13) ?
O1 C15 C14 . . 107.97(14) ?
C16 C15 C14 . . 114.29(14) ?
O1 C15 H15 . . 109.0 ?
C16 C15 H15 . . 109.0 ?
C14 C15 H15 . . 109.0 ?
O5 C16 C15 . . 113.27(15) ?
O5 C16 H16A . . 108.9 ?
C15 C16 H16A . . 108.9 ?
O5 C16 H16B . . 108.9 ?
C15 C16 H16B . . 108.9 ?
H16A C16 H16B . . 107.7 ?
C11 O1 C15 . . 110.51(13) ?
C12 O2 H02 . . 108(2) ?
C13 O3 H03 . . 109.9(19) ?
C14 O4 H04 . . 106(2) ?
C16 O5 H05 . . 104(2) ?
C5 N1 C21 . . 128.45(18) y
C5 N1 H01 . . 115.6(16) ?
C21 N1 H01 . . 113.9(17) ?
C26 C21 C22 . . 119.40(17) ?
C26 C21 N1 . . 124.47(17) ?
C22 C21 N1 . . 116.11(17) ?
C23 C22 C21 . . 120.26(19) ?
C23 C22 H22 . . 119.9 ?
C21 C22 H22 . . 119.9 ?
C22 C23 C24 . . 121.12(19) ?
C22 C23 H23 . . 119.4 ?
C24 C23 H23 . . 119.4 ?
C25 C24 C23 . . 117.89(17) ?
C25 C24 C27 . . 120.9(2) ?
C23 C24 C27 . . 121.2(2) ?
C24 C25 C26 . . 122.0(2) ?
C24 C25 H25 . . 119.0 ?
C26 C25 H25 . . 119.0 ?
C21 C26 C25 . . 119.31(18) ?
C21 C26 H26 . . 120.3 ?
C25 C26 H26 . . 120.3 ?
C2 S2 C11 . . 102.94(8) ?
C24 C27 H27A . . 109.5 ?
C24 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 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
S1 C2 . 1.7322(19) y
S1 C5 . 1.7525(18) y
C2 N3 . 1.298(2) y
C2 S2 . 1.7473(17) y
N3 N4 . 1.397(2) y
N4 C5 . 1.309(3) y
C5 N1 . 1.358(2) y
C11 O1 . 1.421(2) ?
C11 C12 . 1.529(2) ?
C11 S2 . 1.811(2) y
C11 H11 . 1.0000 ?
C12 O2 . 1.417(2) ?
C12 C13 . 1.531(3) ?
C12 H12 . 1.0000 ?
C13 O3 . 1.4311(19) ?
C13 C14 . 1.518(2) ?
C13 H13 . 1.0000 ?
C14 O4 . 1.431(2) ?
C14 C15 . 1.534(2) ?
C14 H14 . 1.0000 ?
C15 O1 . 1.446(2) ?
C15 C16 . 1.517(2) ?
C15 H15 . 1.0000 ?
C16 O5 . 1.438(2) ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
O2 H02 . 0.82(2) ?
O3 H03 . 0.84(2) ?
O4 H04 . 0.81(2) ?
O5 H05 . 0.83(2) ?
N1 C21 . 1.411(2) y
N1 H01 . 0.84(3) ?
C21 C26 . 1.389(3) ?
C21 C22 . 1.398(3) ?
C22 C23 . 1.387(3) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.394(3) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.386(3) ?
C24 C27 . 1.513(2) ?
C25 C26 . 1.397(2) ?
C25 H25 . 0.9500 ?
C26 H26 . 0.9500 ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 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
O2 H02 O3 2_856 0.82(2) 1.87(2) 2.6846(19) 174(3) yes
O3 H03 O4 2_856 0.84(2) 1.93(2) 2.7375(18) 161(3) yes
O4 H04 N3 1_645 0.81(2) 2.06(2) 2.848(2) 162(3) yes
O5 H05 N4 1_645 0.83(2) 2.11(2) 2.899(2) 159(3) yes
O5 H05 N3 1_645 0.83(2) 2.60(2) 3.282(2) 141(2) yes
N1 H01 O5 1_455 0.84(3) 2.05(3) 2.853(2) 158(2) yes
C14 H14 S1 1_655 1.00 2.74 3.7044(18) 162.5 yes
C15 H15 O2 2_746 1.00 2.66 3.577(2) 153.3 ?
C11 H11 O3 1_455 1.00 2.68 3.652(2) 164.3 ?
C16 H16B S2 1_545 0.99 2.71 3.570(2) 145.0 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
C5 S1 C2 N3 . . . . 2.54(14) ?
C5 S1 C2 S2 . . . . 179.52(13) ?
S1 C2 N3 N4 . . . . -0.4(2) ?
S2 C2 N3 N4 . . . . -177.57(12) ?
C2 N3 N4 C5 . . . . -3.0(2) ?
N3 N4 C5 N1 . . . . -175.82(17) ?
N3 N4 C5 S1 . . . . 4.95(19) ?
C2 S1 C5 N4 . . . . -4.30(14) ?
C2 S1 C5 N1 . . . . 176.37(14) ?
O1 C11 C12 O2 . . . . 176.33(14) ?
S2 C11 C12 O2 . . . . -65.64(15) ?
O1 C11 C12 C13 . . . . 55.11(18) ?
S2 C11 C12 C13 . . . . 173.14(11) ?
O2 C12 C13 O3 . . . . 72.56(16) ?
C11 C12 C13 O3 . . . . -167.24(13) ?
O2 C12 C13 C14 . . . . -168.64(13) ?
C11 C12 C13 C14 . . . . -48.44(18) ?
O3 C13 C14 O4 . . . . -69.37(17) ?
C12 C13 C14 O4 . . . . 171.39(13) ?
O3 C13 C14 C15 . . . . 169.77(14) ?
C12 C13 C14 C15 . . . . 50.53(19) ?
O4 C14 C15 O1 . . . . -178.61(13) ?
C13 C14 C15 O1 . . . . -58.76(17) ?
O4 C14 C15 C16 . . . . 61.89(19) ?
C13 C14 C15 C16 . . . . -178.26(16) ?
O1 C15 C16 O5 . . . . -74.18(17) ?
C14 C15 C16 O5 . . . . 45.6(2) ?
C12 C11 O1 C15 . . . . -66.50(18) ?
S2 C11 O1 C15 . . . . 177.11(10) y
C16 C15 O1 C11 . . . . -168.02(13) ?
C14 C15 O1 C11 . . . . 68.24(16) ?
N4 C5 N1 C21 . . . . 2.2(3) ?
S1 C5 N1 C21 . . . . -178.54(14) ?
C5 N1 C21 C26 . . . . -9.0(3) ?
C5 N1 C21 C22 . . . . 172.65(16) ?
C26 C21 C22 C23 . . . . -1.2(3) ?
N1 C21 C22 C23 . . . . 177.18(16) ?
C21 C22 C23 C24 . . . . 1.1(3) ?
C22 C23 C24 C25 . . . . -0.1(3) ?
C22 C23 C24 C27 . . . . -179.64(18) ?
C23 C24 C25 C26 . . . . -0.9(3) ?
C27 C24 C25 C26 . . . . 178.71(19) ?
C22 C21 C26 C25 . . . . 0.3(3) ?
N1 C21 C26 C25 . . . . -177.94(17) ?
C24 C25 C26 C21 . . . . 0.7(3) ?
N3 C2 S2 C11 . . . . -164.51(14) y
S1 C2 S2 C11 . . . . 18.65(13) y
O1 C11 S2 C2 . . . . -55.86(12) y
C12 C11 S2 C2 . . . . -174.12(11) y

_cod_database_fobs_code 2022783