#------------------------------------------------------------------------------
#$Date: 2023-10-07 03:00:39 +0300 (Sat, 07 Oct 2023) $
#$Revision: 286841 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/07/2300716.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_2300716
loop_
_publ_author_name
'Ruth, Paul Niklas'
'Graw, Nico'
'Ernemann, Tobias'
'Herbst-Irmer, Regine'
'Stalke, Dietmar'
_publ_section_title
;
Indium Kα radiation from a MetalJet X-ray source: comparison
of the Eiger2 CdTe and Photon III detectors.
;
_journal_issue 'Pt 5'
_journal_name_full 'Journal of applied crystallography'
_journal_page_first 1322
_journal_page_last 1329
_journal_paper_doi 10.1107/S1600576723007215
_journal_volume 56
_journal_year 2023
_chemical_formula_moiety 'O4 W, 2(H2 O), 2(Na)'
_chemical_formula_sum 'H4 Na2 O6 W'
_chemical_formula_weight 329.86
_space_group_crystal_system orthorhombic
_space_group_IT_number 61
_space_group_name_Hall '-P 2ac 2ab'
_space_group_name_H-M_alt 'P b c a'
_atom_sites_solution_hydrogens difmap
_audit_creation_method SHELXL-2019/2
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 8.441(2)
_cell_length_b 10.569(2)
_cell_length_c 13.799(3)
_cell_measurement_reflns_used 9793
_cell_measurement_temperature 100(2)
_cell_measurement_theta_max 45.498
_cell_measurement_theta_min 2.4715
_cell_volume 1231.0(5)
_computing_cell_refinement 'Bruker SAINT V8.40B'
_computing_data_collection 'Bruker APEX2 v2012.2'
_computing_data_reduction 'Bruker SAINT V8.40B'
_computing_molecular_graphics 'VESTA 3.5.7'
_computing_publication_material 'VESTA 3.5.7'
_computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution 'SHELXT(Sheldrick,Acta Cryst.(2015)A71,3-8)'
_diffrn_ambient_temperature 100(2)
_diffrn_detector_type 'Dectris Eiger 2 CdTe 1M'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type 'Bruker D8 Venture'
_diffrn_measurement_method '\f and \w scans'
_diffrn_radiation_type InK\a
_diffrn_radiation_wavelength 0.5134
_diffrn_reflns_av_R_equivalents 0.0363
_diffrn_reflns_av_unetI/netI 0.0137
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max 23
_diffrn_reflns_limit_h_min -23
_diffrn_reflns_limit_k_max 28
_diffrn_reflns_limit_k_min -29
_diffrn_reflns_limit_l_max 38
_diffrn_reflns_limit_l_min -38
_diffrn_reflns_number 220831
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full 17.941
_diffrn_reflns_theta_max 45.573
_diffrn_reflns_theta_min 2.132
_diffrn_source 'Excillum In Metaljet D2 70 kV'
_exptl_absorpt_coefficient_mu 8.029
_exptl_absorpt_correction_T_max 0.6142
_exptl_absorpt_correction_T_min 0.3722
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details SADABS-2016/2
_exptl_crystal_colour colourless
_exptl_crystal_density_diffrn 3.560
_exptl_crystal_description block
_exptl_crystal_F_000 1184
_exptl_crystal_size_max 0.208
_exptl_crystal_size_mid 0.157
_exptl_crystal_size_min 0.086
_refine_diff_density_max 3.101
_refine_diff_density_min -2.919
_refine_diff_density_rms 0.254
_refine_ls_extinction_coef 0.00253(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method 'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref 1.261
_refine_ls_hydrogen_treatment refall
_refine_ls_matrix_type full
_refine_ls_number_parameters 99
_refine_ls_number_reflns 13854
_refine_ls_number_restraints 7
_refine_ls_restrained_S_all 1.261
_refine_ls_R_factor_all 0.0192
_refine_ls_R_factor_gt 0.0165
_refine_ls_shift/su_max 0.012
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+1.1644P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0332
_refine_ls_wR_factor_ref 0.0337
_reflns_Friedel_coverage 0.000
_reflns_number_gt 12493
_reflns_number_total 13854
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file nb5354sup1.cif
_cod_data_source_block NaWO4_eiger
_cod_depositor_comments
'Adding full bibliography for 2300712--2300725.cif.'
_cod_database_code 2300716
_cod_database_fobs_code 2300716
_shelx_shelxl_version_number 2019/2
_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 0.286
_shelx_estimated_absorpt_t_max 0.545
_shelx_res_file
;
TITL sad0_a.res in Pbca
sad5.res
created by SHELXL-2019/2 at 11:48:23 on 15-Nov-2022
REM Old TITL sad0 in Pbca
REM SHELXT solution in Pbca: R1 0.055, Rweak 0.001, Alpha 0.020
REM 3.743 for 224 systematic absences, Orientation as input
REM Formula found by SHELXT: O6 Na2 W
CELL 0.51340 8.441 10.569 13.799 90.00 90.00 90.00
ZERR 8.000 0.002 0.002 0.003 0.0000 0.0000 0.0000
LATT 1
SYMM 1/2-X, -Y, 1/2+Z
SYMM -X, 1/2+Y, 1/2-Z
SYMM 1/2+X, 1/2-Y, -Z
SFAC O H NA W
UNIT 48 32 16 8
TEMP -173.150
L.S. 20
FREE Na1 Na2
TEMP -173
SIZE 0.208 0.157 0.086
BOND
LIST 4
ACTA
SADI O5 H5A O5 H5B O6 H6A O6 H6B
SADI 0.04 H5A H5B H6A H6B
FMAP 2
PLAN 20
WGHT 0.000000 1.164400
EXTI 0.002527
FVAR 0.20528
O1 1 0.552478 0.677124 0.400732 11.00000 0.00801 0.00871 =
0.00583 -0.00063 0.00109 0.00061
O2 1 0.631472 0.648899 0.609800 11.00000 0.00832 0.00869 =
0.00664 0.00018 -0.00182 0.00185
O3 1 0.312440 0.607306 0.537542 11.00000 0.00829 0.00835 =
0.00868 0.00056 0.00051 -0.00289
O4 1 0.443024 0.861452 0.541677 11.00000 0.00781 0.00531 =
0.00778 -0.00042 -0.00002 0.00092
O5 1 0.772253 0.640477 0.200950 11.00000 0.00973 0.01029 =
0.00806 0.00166 0.00116 0.00084
H5A 2 0.863133 0.644750 0.178682 11.00000 0.02399
H5B 2 0.732144 0.707815 0.181294 11.00000 0.03096
O6 1 0.962530 0.407873 0.300189 11.00000 0.01283 0.00905 =
0.00825 -0.00039 -0.00117 0.00029
H6A 2 0.933949 0.397560 0.243708 11.00000 0.03209
H6B 2 0.938968 0.342014 0.328957 11.00000 0.02664
NA1 3 0.759274 0.548905 0.352311 11.00000 0.00769 0.00844 =
0.00669 0.00056 0.00052 0.00047
NA2 3 0.655616 0.495544 0.085657 11.00000 0.00785 0.00739 =
0.00754 -0.00027 -0.00025 0.00066
W1 4 0.486500 0.698371 0.522756 11.00000 0.00440 0.00386 =
0.00392 -0.00009 -0.00014 0.00001
HKLF 4
REM sad0_a.res in Pbca
REM wR2 = 0.0337, GooF = S = 1.261, Restrained GooF = 1.261 for all data
REM R1 = 0.0165 for 12493 Fo > 4sig(Fo) and 0.0192 for all 13854 data
REM 99 parameters refined using 7 restraints
END
WGHT 0.0000 1.1644
REM Highest difference peak 3.101, deepest hole -2.919, 1-sigma level 0.254
Q1 1 0.4438 0.7158 0.5227 11.00000 0.05 3.10
Q2 1 0.5232 0.7276 0.5232 11.00000 0.05 2.80
Q3 1 0.4858 0.4900 0.5222 11.00000 0.05 2.79
Q4 1 0.4861 0.6980 0.6142 11.00000 0.05 2.75
Q5 1 0.5164 0.7115 0.4817 11.00000 0.05 2.69
Q6 1 0.4573 0.6622 0.5236 11.00000 0.05 2.66
Q7 1 0.5196 0.6648 0.5239 11.00000 0.05 2.64
Q8 1 0.5159 0.4056 0.0692 11.00000 0.05 2.16
Q9 1 1.0136 0.3018 0.2040 11.00000 0.05 2.14
Q10 1 0.4437 0.6987 0.5563 11.00000 0.05 2.12
Q11 1 0.4555 0.7022 0.4832 11.00000 0.05 2.10
Q12 1 0.4840 0.7604 0.5223 11.00000 0.05 1.62
Q13 1 0.5209 0.6822 0.4465 11.00000 0.05 1.45
Q14 1 0.5159 0.9235 0.4739 11.00000 0.05 1.38
Q15 1 0.5307 0.7004 0.5548 11.00000 0.05 1.36
Q16 1 0.3875 0.6971 0.5241 11.00000 0.05 1.16
Q17 1 0.9592 0.4060 0.4328 11.00000 0.05 1.03
Q18 1 0.4635 0.6815 0.4486 11.00000 0.05 0.98
Q19 1 0.4862 0.8690 0.5132 11.00000 0.05 0.98
Q20 1 0.5190 0.7185 0.4169 11.00000 0.05 0.97
;
_shelx_res_checksum 13449
_shelx_hkl_file
;
-1 0 0 1.27821 0.11053 7
-2 0 0 7697.13 232.161 7
-3 0 0 1.63558 0.22024 18
-3 0 0 1.24506 0.18732 12
-3 0 0 2.23274 0.23388 7
-4 0 0 8822.80 268.330 12
-4 0 0 8766.33 268.358 18
-4 0 0 9083.44 268.315 7
-5 0 0 3.00606 0.36359 7
-5 0 0 3.30630 0.41354 18
-5 0 0 1.31737 0.25702 12
5 0 0 1.55073 0.36777 9
-6 0 0 4405.74 130.949 7
-6 0 0 4470.84 130.976 12
6 0 0 4252.90 131.348 9
-6 0 0 4178.34 130.972 18
-7 0 0 3.52441 0.57509 18
-7 0 0 2.76573 0.44013 12
7 0 0 0.86089 0.47364 9
-7 0 0 1.27916 0.34527 7
-8 0 0 2636.45 81.6304 7
-8 0 0 2733.76 81.6842 12
-9 0 0 4.18893 0.64025 12
-9 0 0 2.21452 0.53641 7
-10 0 0 531.329 16.9619 12
-10 0 0 545.263 16.9684 7
-10 0 0 517.245 17.2340 16
-11 0 0 3.69569 0.75872 12
-11 0 0 0.61338 0.55828 7
-11 0 0 4.97052 1.05936 16
-12 0 0 557.576 18.3746 16
-12 0 0 552.807 17.9549 12
-12 0 0 565.023 17.9706 7
-13 0 0 3.40680 0.97638 16
-13 0 0 2.33215 0.85628 12
-13 0 0 3.91980 0.91006 7
-14 0 0 178.180 6.73612 7
-14 0 0 181.215 6.79755 12
-14 0 0 184.512 7.29924 16
-15 0 0 3.07059 1.20598 12
-15 0 0 0.76588 0.99795 7
-15 0 0 10.4629 1.88852 16
-16 0 0 72.5840 3.77583 7
-16 0 0 72.6853 4.24324 16
-16 0 0 76.8917 3.92025 12
-17 0 0 1.85371 1.40768 16
-18 0 0 5.93833 1.89801 16
-19 0 0 1.52598 1.65510 16
-20 0 0 1.47223 1.90755 16
-21 0 0 0.86900 1.98998 16
-22 0 0 21.2121 3.40833 16
22 0 0 11.4603 2.67708 9
23 0 0 0.51721 1.98188 9
-23 0 0 -1.1596 2.26988 16
-23 0 0 1.85839 2.71832 11
0 -1 0 -0.0073 0.03572 20
0 -1 0 -0.0035 0.02780 7
1 1 0 5.91248 0.24279 18
-2 -1 0 178.622 5.61287 7
2 1 0 182.878 5.50352 18
-2 -1 0 174.934 5.50241 18
-2 -1 0 178.109 5.50012 12
-3 -1 0 5.83924 0.33456 18
-4 -1 0 288.945 9.05542 7
-4 -1 0 283.969 8.94293 18
-4 1 0 286.591 9.07595 12
-4 -1 0 287.569 8.93282 12
-4 1 0 289.457 8.91675 7
5 1 0 2.04062 0.45208 9
-5 -1 0 1.47685 0.33198 7
-5 -1 0 2.93770 0.32416 12
-5 -1 0 1.91851 0.29344 18
-5 1 0 4.23893 0.40099 7
-5 1 0 4.56262 0.52868 12
-5 1 0 2.11555 0.39914 18
-6 -1 0 1807.15 54.7612 12
6 1 0 1809.41 55.2418 9
-6 1 0 1780.37 54.7415 7
-6 1 0 1759.46 54.9783 18
-6 1 0 1849.48 54.9346 12
-6 -1 0 1765.80 54.7685 18
-6 -1 0 1844.67 54.9069 7
-7 -1 0 2.31442 0.42554 18
-7 1 0 1.64728 0.38752 12
-7 1 0 2.26350 0.42362 7
7 1 0 0.66895 0.41956 9
-7 -1 0 0.73923 0.33717 7
8 1 0 1138.32 35.7614 9
-8 -1 0 1155.21 35.2546 7
-8 1 0 1125.93 35.2650 12
-8 -1 0 1136.06 35.0988 12
-8 1 0 1160.54 35.1051 7
-9 -1 0 2.20861 0.51926 12
9 1 0 0.64229 0.47359 9
-9 1 0 2.73768 0.58205 12
-9 1 0 0.77869 0.59047 16
-9 1 0 1.84414 0.47441 7
-9 -1 0 0.47380 0.40677 7
-10 1 0 1461.40 44.9891 7
10 1 0 1467.52 45.8600 9
-10 -1 0 1473.89 45.1716 7
-10 -1 0 1459.94 45.3533 16
-10 -1 0 1460.68 44.9998 12
-10 1 0 1471.52 45.4190 16
-10 1 0 1460.82 45.1861 12
11 1 0 2.37315 0.83721 9
-11 1 0 0.65519 0.54516 7
-11 1 0 4.48735 1.03867 16
-11 -1 0 4.51764 1.04662 16
-11 1 0 3.53855 0.80446 12
-11 -1 0 1.45680 0.62276 7
-12 1 0 1371.38 42.5999 12
-12 -1 0 1340.71 42.8590 16
-12 -1 0 1357.09 42.4047 12
-12 -1 0 1408.28 42.6090 7
12 1 0 1347.43 43.4783 9
-12 1 0 1395.36 42.4148 7
-12 1 0 1378.20 42.9587 16
-13 1 0 0.86123 0.91828 16
-13 -1 0 0.59335 0.90817 16
-13 1 0 2.05779 0.80689 7
-13 1 0 0.46322 0.75520 12
-13 -1 0 1.62308 0.77351 12
-13 -1 0 0.91166 0.75946 7
13 1 0 1.75419 0.90988 9
-14 1 0 1279.54 41.1753 16
-14 1 0 1323.59 40.6973 12
-14 -1 0 1304.72 41.1481 16
14 1 0 1323.53 41.9310 9
-14 -1 0 1287.04 40.4640 12
-14 -1 0 1284.56 40.6319 7
-14 1 0 1303.73 40.4215 7
-15 -1 0 1.68185 1.09522 12
-15 -1 0 2.02128 1.23845 16
-15 1 0 1.05350 1.06454 12
-15 1 0 3.17173 1.24353 16
-15 -1 0 1.44924 1.00272 7
15 1 0 0.30970 0.94383 9
-15 1 0 1.67112 0.99657 7
-16 -1 0 825.302 26.5986 7
-16 -1 0 814.008 27.2743 16
-16 1 0 837.999 27.3845 16
-16 1 0 834.184 26.6850 12
-17 1 0 2.42960 1.44316 16
17 -1 0 -0.0813 1.20161 9
-17 1 0 1.75435 1.75456 12
-17 -1 0 2.71380 1.51363 16
-18 -1 0 706.110 23.9620 16
-18 1 0 700.178 24.0132 16
-19 1 0 3.87076 1.83737 16
-19 -1 0 1.40638 1.70497 16
19 -1 0 1.50829 1.49353 9
-20 1 0 422.736 15.8849 16
-20 -1 0 445.701 15.9887 16
20 -1 0 400.162 16.5292 9
-21 1 0 4.73310 2.16007 16
-21 -1 0 3.36019 2.75044 16
21 -1 0 2.41634 1.80692 9
-22 1 0 311.036 12.9293 16
-22 -1 0 335.281 13.0167 16
22 -1 0 309.906 13.7103 9
-23 -1 0 2.31201 2.71170 11
-23 1 0 1.96814 2.27755 16
-23 -1 0 1.50444 2.42956 16
23 -1 0 2.13697 2.08259 9
0 -2 0 4596.42 138.771 20
-1 -2 0 1.18480 0.18250 7
1 -2 0 1.50979 0.13768 7
-2 -2 0 8396.55 255.068 20
-2 -2 0 8802.10 254.899 18
-2 -2 0 8157.92 254.875 12
3 2 0 1.38038 0.16472 18
-3 -2 0 2.12392 0.22660 18
-3 -2 0 2.03542 0.30684 7
4 2 0 4424.20 131.265 18
-4 -2 0 4587.90 131.538 7
-4 -2 0 4284.52 131.281 12
-4 -2 0 4102.92 131.287 18
5 2 0 1.94271 0.46355 9
-5 -2 0 0.83006 0.26545 7
-5 -2 0 0.90719 0.21597 18
-5 2 0 1.68916 0.24669 7
-5 -2 0 1.32314 0.24617 12
-6 -2 0 2413.75 76.7479 18
-6 -2 0 2548.10 77.0146 7
-6 2 0 2548.72 77.0600 12
-6 2 0 2547.18 76.7271 7
6 2 0 2587.84 77.3279 9
-6 -2 0 2495.55 76.7446 12
6 -2 0 2605.59 77.3118 9
-7 -2 0 3.23194 0.44665 12
7 2 0 0.55895 0.43214 9
7 -2 0 0.99518 0.41964 9
-7 -2 0 1.85215 0.37420 18
-7 -2 0 0.69627 0.36358 7
-7 2 0 1.54768 0.33702 7
-7 2 0 0.78486 0.36197 12
-8 -2 0 1346.35 40.5445 7
-8 -2 0 1310.65 40.2458 12
-8 2 0 1311.35 40.2189 7
8 2 0 1317.56 40.9950 9
-8 2 0 1314.32 40.5698 12
8 -2 0 1295.74 40.9326 9
9 -2 0 0.89626 0.52379 9
-9 -2 0 1.50188 0.46175 12
-9 -2 0 1.48597 0.52272 18
9 -2 0 2.15875 1.18119 17
-9 2 0 1.76832 0.56000 12
-9 2 0 0.99825 0.40015 7
-9 2 0 4.14221 0.90534 16
9 2 0 0.49722 0.52440 9
-9 -2 0 0.09917 0.41644 7
10 -2 0 1181.86 37.3336 9
10 -2 0 1179.39 37.3259 17
-10 -2 0 1217.28 36.7607 7
-10 2 0 1179.62 36.7569 12
-10 2 0 1205.30 36.9626 16
-10 -2 0 1177.47 36.8172 16
10 2 0 1195.64 37.3771 9
-10 -2 0 1112.36 36.3716 12
-10 2 0 1204.15 36.3889 7
-11 -2 0 0.82833 0.78179 16
-11 -2 0 0.23566 0.57524 7
11 -2 0 0.83742 0.71227 9
-11 2 0 1.34321 0.78456 16
-11 2 0 0.14838 0.52813 7
11 2 0 0.74100 0.66763 9
-11 2 0 1.62962 0.66042 12
-11 -2 0 1.70046 0.62915 12
11 -2 0 0.88871 1.09733 17
-12 -2 0 219.528 7.63217 7
-12 2 0 213.092 7.64375 12
-12 2 0 211.105 7.26486 7
12 2 0 214.436 8.36589 9
-12 2 0 208.744 7.86078 16
-12 -2 0 203.310 7.75056 16
-12 -2 0 202.067 7.27557 12
12 -2 0 212.436 8.30990 9
13 2 0 1.10093 0.87609 9
13 -2 0 2.44032 1.02513 9
-13 -2 0 1.45410 1.05654 16
-13 -2 0 4.51772 1.02834 12
-13 2 0 6.27653 1.24845 12
-13 2 0 1.70305 0.76931 7
-13 -2 0 2.63077 0.92798 7
-13 2 0 2.41064 1.01897 16
14 2 0 164.845 7.34096 9
14 -2 0 164.151 7.29662 9
-14 2 0 163.548 6.07995 7
-14 2 0 168.912 6.53330 12
-14 -2 0 162.980 6.18732 12
-14 -2 0 160.624 6.75470 16
-14 2 0 168.740 6.87016 16
-14 -2 0 172.067 6.53293 7
-15 2 0 1.88203 1.11330 12
15 -2 0 3.40311 1.33050 9
-15 2 0 2.98117 1.33477 16
-15 -2 0 3.19632 1.22939 16
-15 -2 0 1.38133 1.04097 7
15 2 0 0.93387 1.01733 9
-16 2 0 52.9776 3.33436 12
16 2 0 52.8493 4.45151 9
-16 -2 0 51.4626 3.94132 16
-16 2 0 51.0706 3.94180 16
16 -2 0 45.9609 4.21549 9
-16 -2 0 53.2791 4.01778 7
-17 -2 0 6.37820 1.93281 16
-17 -2 0 1.46847 1.39825 7
-17 2 0 2.91234 2.84188 12
17 2 0 2.44991 1.35942 9
17 -2 0 2.32255 1.40723 9
-17 2 0 1.79740 1.44774 16
-18 2 0 4.06324 1.70158 16
-18 -2 0 5.45959 1.93840 16
18 -2 0 3.99223 1.67517 9
18 2 0 4.35741 1.87375 9
18 -2 0 5.68112 1.92693 20
-19 2 0 0.76158 1.54618 16
-19 -2 0 2.56329 1.83077 16
19 -2 0 1.39576 1.50271 9
19 2 0 0.80777 1.34371 9
-20 -2 0 12.1939 2.63679 16
20 -2 0 6.55373 2.13164 9
-20 2 0 12.2505 2.54263 16
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-16 -19 0 299.162 15.8516 5
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7 10 12 479.237 15.9960 6
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0 11 12 0.27810 0.50803 12
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-1 -11 -12 1975.37 61.1299 20
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1 -11 12 1946.19 61.2329 6
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1 -11 -12 1946.76 61.0347 20
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1 11 12 1998.04 61.3222 18
1 -11 -12 1929.20 60.5781 7
1 11 12 2029.02 60.5074 12
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3 -11 -12 1849.22 56.9011 20
3 -11 -12 1784.88 56.1045 7
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7 -13 -19 464.548 16.0025 20
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8 -13 19 70.2437 9.31376 10
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8 -13 -19 50.0212 3.59092 20
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9 -13 19 283.974 12.5093 20
9 -13 19 295.719 16.2896 10
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9 -13 -19 247.795 12.4110 17
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3 -15 19 762.913 27.1085 20
3 -15 -19 787.845 31.4642 14
-3 -15 19 789.109 26.7599 15
-3 -15 19 801.562 30.7994 13
3 15 19 803.894 26.8649 18
-3 15 -19 816.930 26.4919 22
-3 -15 19 767.643 33.0870 10
3 15 19 790.547 26.9416 6
3 -15 -19 764.596 28.8539 17
3 -15 -19 788.723 26.1691 20
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-4 -15 -19 19.9179 3.64471 21
-4 -15 -19 16.9970 3.49509 17
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-4 -15 19 24.5577 3.19002 21
4 -15 -19 19.7843 3.56252 17
4 15 19 18.9306 2.75635 6
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4 -15 -19 20.3535 2.49878 20
-4 -15 19 21.8201 3.08650 8
4 -15 -19 19.4380 4.69390 14
-5 -15 -19 509.801 21.8663 8
-5 -15 -19 571.729 21.9604 19
-5 -15 -19 559.661 21.9806 17
-5 -15 -19 572.721 24.5673 14
-5 -15 -19 539.954 21.1161 21
5 -15 19 567.151 25.9673 10
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-5 -15 -19 524.803 19.7100 7
5 -15 19 523.060 20.0351 20
5 -15 19 534.662 19.4542 15
-5 -15 19 548.967 20.0654 8
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-5 -15 19 537.362 19.8030 19
-5 -15 19 522.430 19.4300 21
-5 -15 19 505.277 24.5540 10
5 -15 -19 542.596 18.7190 20
5 15 19 574.727 19.4858 6
-5 -15 19 546.145 19.3800 15
-5 15 -19 570.530 19.2583 22
5 -15 -19 534.379 21.4922 17
-5 -15 19 532.113 23.4144 13
-6 -15 -19 59.6061 6.22850 21
6 -15 19 67.9425 5.33033 15
6 -15 19 48.3080 4.90608 20
-6 -15 -19 61.3499 6.97654 8
-6 -15 -19 53.6699 6.20508 17
-6 -15 -19 61.4970 7.86559 14
-6 -15 -19 69.7712 6.88629 19
6 -15 19 79.6803 10.3387 10
-6 -15 -19 62.4349 5.29415 7
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-6 15 -19 53.1496 4.42589 22
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-6 -15 19 45.9904 7.28697 10
-6 -15 19 63.0152 5.20801 21
-6 -15 19 54.1428 4.93377 8
6 -15 -19 56.0387 3.88927 20
6 -15 -19 58.1068 6.23157 17
-6 -15 19 68.1888 6.39713 11
-6 -15 19 65.4447 6.62293 5
6 15 19 59.0970 4.85046 6
-6 -15 19 63.3766 4.95560 15
-6 -15 19 58.4685 5.06913 19
-6 -15 19 66.9735 8.00908 13
-7 -15 -19 363.968 17.2113 8
7 -15 19 379.781 15.7275 20
-7 15 19 380.624 14.0528 12
-7 -15 -19 397.721 16.7081 21
-7 15 19 389.488 14.6865 18
-7 -15 -19 380.535 19.0525 14
-7 -15 -19 406.806 15.3967 7
-7 -15 -19 401.708 17.1020 19
7 -15 19 415.865 20.4172 10
-7 -15 -19 377.233 16.8219 17
7 -15 19 381.606 14.6694 15
-7 -15 19 367.654 15.7994 11
7 -15 -19 360.844 16.2930 17
-7 -15 19 389.443 16.5665 5
7 -15 -19 365.214 13.6717 20
7 15 19 382.284 14.3884 18
7 15 19 398.372 14.4734 6
-7 -15 19 374.122 15.1477 19
-7 -15 19 391.116 19.1302 13
-7 -15 19 365.979 14.4879 15
-7 -15 19 382.239 14.8247 21
-7 -15 19 341.345 19.1185 10
-7 15 -19 401.058 14.6286 22
-7 -15 19 360.955 15.0043 8
8 -15 19 26.9953 6.07177 10
-8 -15 -19 25.1553 3.63532 7
-8 -15 -19 32.8669 4.68903 21
-8 -15 -19 25.4940 5.05893 11
-8 15 19 28.0801 3.17763 12
-8 -15 -19 34.0973 5.14317 17
-8 -15 -19 40.1344 5.72910 8
-8 15 19 29.7910 3.59840 18
8 -15 19 33.2381 3.84384 15
-8 -15 -19 26.3231 4.23199 19
-8 -15 -19 35.4669 6.33360 14
8 -15 19 27.8984 3.99245 20
8 -15 -19 28.4896 2.85715 20
-8 15 -19 29.5571 3.63573 22
-8 -15 19 19.8207 3.56853 11
8 15 19 25.5329 3.11554 6
-8 -15 19 21.2608 5.19361 13
8 -15 -19 27.6199 4.19469 17
-8 -15 19 24.8594 4.28580 5
-8 -15 19 24.7710 3.38469 21
-8 -15 19 31.3508 4.03301 8
-8 -15 19 27.4227 3.45075 15
-8 -15 19 30.3091 6.62005 10
-8 -15 19 35.1154 4.19367 19
8 15 19 27.4033 3.31881 18
-9 -15 -19 267.542 15.4383 14
-9 -15 -19 280.115 13.9175 11
-9 -15 -19 270.687 13.2878 17
-9 -15 -19 276.937 11.9982 7
9 -15 19 273.888 16.0768 10
9 -15 19 283.893 12.7312 20
-9 15 19 253.958 9.78599 16
-9 15 19 256.911 10.6247 12
9 -15 19 267.718 11.1591 15
-9 -15 -19 280.464 13.1111 21
-9 -15 -19 266.733 13.3809 19
-9 15 19 250.621 11.0084 18
-9 -15 19 252.874 11.3000 21
-9 -15 19 268.787 11.6484 8
-9 -15 19 264.982 15.3726 13
9 -15 -19 242.675 12.6359 17
-9 -15 19 255.407 13.0166 5
-9 -15 19 257.701 11.1260 15
9 15 19 263.358 10.7646 6
9 -15 -19 266.361 10.2960 20
-9 -15 19 247.703 12.2610 11
9 15 19 272.826 11.1191 18
-9 -15 19 244.328 15.2871 10
-9 -15 19 268.212 11.8950 19
-10 15 19 41.8231 4.06962 12
10 -15 19 43.9735 7.26498 10
10 -15 19 46.9688 5.67156 20
10 -15 19 47.7807 4.46801 15
-10 15 19 41.2857 3.37262 16
-10 -15 -19 47.9484 7.06845 14
-10 -15 -19 43.0398 5.76907 17
-10 15 19 45.9404 4.51954 18
-10 -15 -19 48.6274 6.04862 21
-10 -15 -19 38.6576 5.82377 8
-10 -15 -19 42.9252 6.03472 11
-10 -15 -19 53.3977 6.19919 19
-10 -15 -19 51.7294 5.40955 7
-10 -15 19 46.3009 4.60485 8
10 -15 -19 34.9536 6.32533 14
-10 -15 19 28.2507 6.14690 10
-10 -15 19 43.8363 5.71098 5
-10 -15 19 39.2853 4.30969 19
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-10 -15 19 42.6597 4.26988 15
10 -15 -19 45.9402 5.76334 17
-11 -15 -19 141.832 11.0950 8
-11 -15 -19 144.784 9.51764 19
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-11 -15 -19 144.653 8.38663 7
11 -15 19 148.127 7.69639 15
-11 -15 -19 143.476 9.31403 17
-11 -15 -19 149.847 9.14700 21
-11 15 19 148.620 6.58594 16
-11 -15 -19 165.154 10.9445 11
-11 15 19 132.598 7.50856 18
-11 -15 -19 160.191 11.5141 14
11 -15 19 166.404 9.48847 20
-11 -15 19 150.553 9.48773 5
-11 -15 19 141.851 8.16730 19
-11 -15 19 147.640 7.83870 8
-11 -15 19 151.734 7.78477 15
-11 -15 19 128.785 11.9058 13
11 -15 -19 123.692 10.0863 14
-11 -15 19 148.944 7.94844 21
-11 -15 19 146.308 11.2617 10
-12 -15 -19 44.0510 5.09009 7
-12 -15 -19 50.0125 6.41562 19
-12 -15 -19 48.9087 6.50545 8
12 -15 19 57.8846 6.46368 20
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-12 -15 -19 40.6414 5.46611 21
-12 -15 -19 47.8035 7.08277 14
-12 -15 -19 58.3317 7.44569 11
-12 -15 -19 38.5856 6.83867 17
-12 15 19 52.7327 3.95119 16
-12 15 19 43.9636 4.28896 12
12 -15 19 42.7134 4.33320 15
12 -15 -19 42.8461 6.81153 14
-12 -15 19 51.7978 6.59133 5
-12 -15 19 44.4997 6.94938 13
-12 -15 19 40.4101 4.34517 8
12 -15 -19 35.3950 4.97127 17
-12 -15 19 37.3232 3.96429 15
-12 -15 19 47.6325 4.81131 21
-13 -15 -19 58.1452 6.93808 19
-13 -15 -19 65.8421 6.90146 17
13 -15 19 61.1692 6.77800 20
-13 15 19 46.2071 4.35765 12
-13 -15 -19 50.6925 6.84077 8
-13 15 19 53.0487 4.14234 16
-13 15 19 47.0127 4.82443 18
-13 -15 -19 56.9182 6.74343 21
-13 -15 -19 65.5037 7.62964 11
-13 -15 -19 64.7887 8.08109 14
13 -15 -19 70.9192 7.25005 17
-13 -15 19 50.9697 6.26232 5
-13 -15 19 55.6858 5.04134 8
-13 -15 19 47.0120 7.28854 13
-13 -15 19 53.8662 5.62357 19
-13 -15 19 65.3549 5.66254 15
-13 -15 19 56.6969 5.36272 21
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-14 -15 -19 31.1161 5.20139 17
-14 15 19 39.2454 4.26603 12
-14 -15 -19 43.0326 6.38715 8
-14 -15 -19 37.7497 5.31225 19
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-14 -15 -19 24.8455 4.46349 21
-14 -15 19 41.8463 5.08531 19
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-14 -15 19 43.6304 4.50858 15
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-15 -15 -19 30.0249 4.74521 7
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-15 -15 -19 27.7402 4.84726 21
-15 -15 -19 33.2171 5.78420 8
-15 -15 -19 24.1668 5.04255 11
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15 -15 -19 28.5597 4.84974 17
-15 -15 19 25.1605 4.79743 5
-15 -15 19 23.4705 5.10717 13
-15 -15 19 20.9220 3.09628 15
-15 15 -19 21.4137 3.55418 16
-15 -15 19 25.3406 3.81655 19
-16 -15 -19 29.4873 4.44275 21
-16 15 19 39.2509 3.83616 16
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-16 -15 -19 33.1072 4.92151 7
-16 -15 -19 35.7158 5.30514 19
-16 -15 -19 34.7143 5.97092 8
-16 -15 -19 33.5788 6.06336 11
16 -15 19 42.3172 6.16518 20
-16 -15 19 32.4058 4.11952 15
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-16 -15 19 29.4493 5.58788 13
16 15 19 36.8772 5.10693 9
16 -15 -19 25.1391 4.58230 17
-16 -15 19 27.9336 4.81365 5
-16 -15 19 39.1701 4.75892 19
0 -16 19 139.552 7.01087 20
0 -16 19 136.040 8.25504 11
0 -16 19 138.334 7.04266 15
0 -16 19 143.933 11.7051 10
0 -16 -19 128.265 6.57114 7
0 -16 19 146.899 9.46588 13
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0 -16 -19 143.233 6.66695 20
0 16 19 140.319 6.00398 12
0 16 19 140.497 6.95888 18
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-1 -16 -19 2.03869 1.79316 7
1 -16 19 1.13690 1.91120 20
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1 -16 19 4.85302 3.66890 13
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1 -16 19 0.88285 2.02543 15
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1 -16 19 1.68584 3.75188 10
-1 -16 19 1.27215 1.85502 20
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-1 16 -19 0.27928 1.39190 22
1 -16 -19 0.61597 1.84569 7
1 -16 -19 0.86151 1.26026 20
1 16 19 3.09740 1.50786 18
1 -16 -19 1.09663 2.71947 14
1 16 19 1.06198 1.27835 12
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-2 -16 -19 111.110 6.19666 7
2 -16 19 125.401 6.61210 15
2 -16 19 115.462 6.58734 20
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2 -16 -19 125.287 5.99869 20
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-3 -16 19 51.7511 4.52381 15
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-3 -16 19 49.4805 4.68829 8
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3 -16 -19 39.1446 3.43906 20
3 -16 -19 40.1628 4.91348 17
-3 -16 19 49.2600 5.79086 5
-3 -16 19 43.0151 7.38668 10
3 16 19 45.3600 4.20258 18
4 -16 19 118.403 12.5117 10
-4 -16 -19 90.9550 9.71148 14
4 -16 19 93.8069 5.80740 15
-4 -16 -19 95.2776 8.12595 8
-4 16 19 88.6801 4.75568 12
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4 -16 19 85.2369 5.95441 20
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4 -16 -19 88.5919 4.91338 20
4 -16 -19 71.3363 6.83154 17
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4 -16 -19 94.1612 9.93680 14
-4 -16 19 86.9367 5.71119 8
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-4 -16 19 97.7933 9.91711 13
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5 -16 19 75.1299 10.0792 10
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5 -16 19 68.3701 5.82006 20
5 -16 19 56.5416 4.71008 15
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-5 -16 -19 69.6828 8.98022 14
-5 -16 19 58.5319 5.83183 11
5 16 19 65.0917 4.44121 6
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-5 -16 19 57.8330 5.93997 5
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-5 -16 19 64.4168 9.07371 10
5 -16 -19 69.1781 8.60836 14
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-5 -16 19 62.5954 5.23398 19
5 -16 -19 62.5952 4.16112 20
5 -16 -19 66.7234 6.68148 17
5 16 19 64.7680 4.48871 18
-5 -16 19 58.6083 5.27017 8
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6 -16 19 89.0989 10.6998 10
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6 -16 19 82.0612 6.68062 20
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-6 -16 -19 83.2050 6.36038 7
6 -16 19 87.5945 5.67858 15
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-6 -16 -19 91.3234 8.00088 19
-6 -16 -19 73.7575 7.23657 17
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-6 -16 19 75.3674 6.64527 11
-6 -16 19 92.1104 5.88465 8
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6 -16 -19 77.8464 8.94312 14
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-6 -16 19 79.5100 5.32824 15
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-7 -16 -19 133.401 8.70759 19
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-7 -16 -19 127.261 8.07332 21
-7 -16 -19 126.985 7.27835 7
7 -16 19 164.485 14.8857 10
-7 16 19 125.180 6.81411 18
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-7 -16 -19 154.192 11.3260 8
7 -16 19 129.657 7.89432 20
7 -16 19 134.342 7.18382 15
-7 -16 19 132.778 7.37197 8
-7 -16 19 134.542 7.01511 15
-7 -16 19 141.016 12.2992 13
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-7 -16 19 133.370 8.46315 5
7 -16 -19 123.334 11.2821 14
7 -16 -19 131.075 6.26451 20
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7 16 19 118.422 6.61944 18
-7 -16 19 130.226 7.28152 19
7 -16 -19 122.263 8.16952 17
-7 -16 19 123.368 7.90264 11
-7 -16 19 127.558 12.7904 10
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-8 -16 -19 29.0564 4.96290 17
8 -16 19 29.4925 6.56015 10
-8 -16 -19 34.1922 6.64092 14
8 -16 19 27.4817 3.54875 15
-8 -16 -19 26.8529 4.27932 21
-8 -16 -19 39.2909 6.01320 11
8 -16 19 29.5938 4.40284 20
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-8 -16 -19 35.1684 5.57160 8
8 -16 -19 29.7681 3.08788 20
-8 -16 19 46.4706 4.71126 8
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-8 -16 19 30.0937 3.67311 21
8 -16 -19 27.0554 5.37215 14
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8 16 19 30.6070 3.52194 18
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-8 -16 19 33.9766 4.66058 11
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8 16 19 37.6782 3.81252 6
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-9 -16 -19 189.629 11.1200 11
9 -16 19 180.937 9.86979 20
-9 -16 -19 176.081 9.18370 7
9 -16 19 182.621 8.62203 15
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9 -16 19 185.927 13.1299 10
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9 -16 -19 180.044 7.76244 20
9 -16 -19 165.998 9.94890 17
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-9 -16 19 158.891 8.62828 8
-9 -16 19 179.726 8.75745 21
9 -16 -19 139.631 10.9050 14
9 16 19 177.089 9.20002 18
-9 -16 19 167.989 9.54704 11
-9 -16 19 182.188 12.3633 13
9 16 19 174.674 8.14188 6
-9 -16 19 177.867 8.63044 15
-9 -16 19 153.407 12.1269 10
10 -16 19 46.8922 7.48644 10
-10 16 19 47.2753 3.57797 16
10 -16 19 58.0001 6.34034 20
-10 -16 -19 52.8477 6.60033 11
-10 -16 -19 42.6618 5.80961 17
-10 -16 -19 50.3170 6.07683 19
-10 -16 -19 51.0967 5.26266 7
-10 16 19 48.1637 4.27445 12
-10 -16 -19 48.5471 5.84229 21
-10 16 19 56.5282 5.12166 18
10 -16 19 53.7377 4.78030 15
-10 -16 -19 50.8744 7.79763 14
10 -16 -19 37.8509 6.16871 17
-10 -16 19 41.2583 5.10744 19
-10 -16 19 59.0602 5.33028 8
-10 -16 19 60.3159 6.85750 5
-10 -16 19 38.1343 6.77774 10
-10 -16 19 44.4319 4.36457 15
10 16 19 44.2119 4.08497 6
10 -16 -19 43.9385 6.65577 14
-10 -16 19 52.3749 5.81376 11
11 -16 19 253.364 12.0743 20
-11 -16 -19 216.646 11.8105 21
-11 -16 -19 225.946 13.0255 8
-11 -16 -19 181.684 16.2630 17
-11 -16 -19 229.189 13.0392 11
-11 16 19 214.701 8.73094 16
-11 -16 -19 221.940 14.1161 14
-11 -16 -19 220.796 12.2271 19
-11 16 19 226.107 9.65439 12
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8 -17 -22 83.9281 8.49980 17
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12 -17 -22 110.019 10.8375 14
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3 -18 -22 -0.5112 2.91622 14
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4 -18 22 373.048 15.2439 20
-4 -18 -22 372.503 17.8138 8
-4 18 22 361.216 14.6843 18
-4 -18 -22 355.910 17.4032 17
4 -18 22 385.138 14.7187 15
4 18 -22 362.014 14.3244 22
-4 -18 -22 395.920 15.5045 7
4 -18 22 400.333 22.6154 10
-4 -18 -22 405.428 20.8855 14
4 18 22 369.718 14.5563 6
-4 18 -22 372.048 14.3141 22
4 18 22 377.746 14.6059 18
4 -18 -22 335.193 16.9205 17
4 -18 -22 373.516 20.2419 14
-4 -18 22 365.728 16.2040 11
-4 -18 22 351.500 21.1362 10
-4 -18 22 414.596 19.5873 13
-4 -18 22 365.754 16.3453 5
-4 -18 22 377.393 14.7314 15
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5 18 -22 1.30670 1.55568 22
-5 -18 -22 4.90324 2.83871 19
5 -18 22 1.33836 2.13182 15
-5 -18 -22 1.41790 3.18130 8
5 -18 22 0.05779 2.73597 20
-5 -18 -22 0.32961 2.33890 21
5 -18 22 0.04542 3.94837 10
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-5 -18 22 1.71839 2.95004 13
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5 -18 -22 -1.3582 3.09292 14
-5 -18 22 1.27425 1.77121 15
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5 -18 -22 1.12010 2.53211 17
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-6 -18 -22 314.781 18.5230 14
-6 -18 -22 333.266 16.1570 19
6 -18 22 319.586 13.1489 15
-6 -18 -22 340.989 14.2353 7
-6 18 22 309.093 12.4232 12
6 -18 22 331.790 14.2209 20
-6 -18 -22 324.587 16.1708 17
6 -18 22 338.562 20.1980 10
-6 -18 -22 350.021 17.0127 8
-6 -18 -22 356.939 16.0378 21
6 -18 -22 295.960 17.9618 14
6 18 22 309.650 13.0043 18
6 -18 -22 314.429 12.3594 20
-6 -18 22 345.484 18.1088 13
6 -18 -22 313.767 15.6724 17
-6 -18 22 319.825 15.0927 5
-6 -18 22 322.180 14.6190 11
-6 -18 22 317.925 13.1413 15
-6 -18 22 311.386 19.2521 10
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-7 -18 -22 -1.2137 2.81929 7
-7 -18 -22 -1.6138 2.76753 8
7 -18 22 0.02662 2.81384 20
7 -18 22 -0.8171 2.05587 15
7 -18 22 2.46241 4.36880 10
-7 -18 -22 1.92700 2.31528 21
-7 18 22 2.66509 1.77898 12
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-7 -18 -22 2.11452 3.12816 17
-7 -18 -22 0.38975 3.45337 14
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-7 -18 22 0.81250 3.64825 10
-7 -18 22 1.78001 2.56056 5
-7 -18 22 1.97628 3.32060 13
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7 -18 -22 -1.1757 2.45819 17
7 -18 -22 0.45100 3.44781 14
-7 -18 22 0.67765 1.76980 15
-8 -18 -22 251.531 14.1492 8
-8 -18 -22 240.922 13.2375 17
8 -18 22 240.998 10.4589 15
8 -18 22 234.755 11.8251 20
8 -18 22 255.765 16.5084 10
-8 18 22 233.013 9.91308 12
-8 -18 -22 240.615 13.3194 19
-8 -18 -22 236.173 15.5382 14
-8 -18 -22 241.552 11.7547 7
-8 -18 -22 242.077 12.8563 21
-8 -18 22 237.826 12.3632 5
-8 -18 22 213.157 11.4202 11
8 -18 -22 197.345 12.2359 17
-8 -18 22 243.086 15.1238 13
8 -18 -22 197.240 14.1576 14
-8 -18 22 236.020 10.4712 15
-8 -18 22 210.279 15.4855 10
8 18 22 234.060 10.1405 6
-9 -18 -22 4.02617 3.30640 8
-9 18 22 2.38371 1.90807 12
9 -18 22 5.48050 3.35304 20
-9 -18 -22 2.41732 3.76532 14
-9 -18 -22 2.89014 3.10996 7
-9 -18 -22 1.40824 2.61434 19
9 -18 22 2.29009 2.22309 15
9 -18 22 3.19832 4.25245 10
-9 -18 -22 4.79651 3.61639 17
-9 -18 -22 5.30519 2.93413 21
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-9 -18 22 2.25108 1.81182 15
-9 -18 22 2.02071 3.96850 10
9 -18 -22 0.80860 2.71699 17
-9 -18 22 6.15851 3.50659 13
9 -18 -22 3.57976 3.73707 14
-9 -18 22 3.56258 2.76342 11
-9 -18 22 2.06905 2.54142 5
-10 -18 -22 132.054 9.42583 17
-10 -18 -22 137.431 13.0182 14
10 -18 22 109.422 8.71053 20
10 -18 22 124.524 6.91351 15
-10 -18 -22 127.597 11.6519 8
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-10 -18 -22 141.462 9.20414 11
-10 -18 -22 136.855 8.68873 7
10 -18 22 128.963 13.8050 10
-10 -18 -22 112.473 9.88003 19
-10 -18 -22 141.457 10.8041 21
-10 -18 22 124.803 7.06705 15
-10 -18 22 106.740 11.2491 13
10 -18 -22 87.9391 9.97910 14
-10 -18 22 136.338 8.96035 5
10 -18 -22 91.1659 8.70364 17
10 18 22 132.158 7.18052 6
-10 -18 22 108.071 7.89056 11
-10 -18 22 100.479 11.8004 10
11 -18 22 0.53764 4.09464 10
-11 -18 -22 -0.7914 3.73896 14
-11 -18 -22 1.15994 2.41302 21
-11 -18 -22 0.79866 3.62270 17
11 -18 22 1.74552 2.11161 15
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-11 -18 -22 2.15309 3.31758 11
-11 18 22 1.51138 2.03063 12
-11 -18 -22 2.22040 3.10284 7
-11 -18 -22 0.52175 2.47233 19
-11 -18 22 3.41764 1.91467 15
11 -18 -22 3.64319 3.97107 14
-11 -18 22 2.17359 2.44898 5
-11 -18 22 3.18126 4.33332 10
11 -18 -22 1.60164 2.87579 17
-12 -18 -22 69.2577 7.62165 21
12 -18 22 80.3285 8.05902 20
-12 -18 -22 68.5410 8.85948 14
-12 -18 -22 56.2673 6.60227 19
-12 -18 -22 80.9045 7.98682 17
-12 -18 -22 65.6493 6.87865 11
-12 -18 -22 73.0540 7.10115 7
-12 18 22 70.9716 5.68633 12
-12 -18 -22 88.4133 9.35147 8
12 -18 -22 51.1790 6.38923 17
-12 -18 22 74.7057 9.88778 10
-12 -18 22 49.7569 5.84811 5
12 -18 -22 38.9937 6.63809 14
-12 -18 22 66.5121 5.63873 15
0 -19 22 -1.5391 3.78248 10
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0 -3 -37 -0.8212 2.23411 17
0 -3 37 -1.1203 1.96943 6
1 3 -37 59.5473 5.21309 22
1 3 -37 73.1151 6.09217 17
-1 -3 -37 86.2412 7.38964 17
-1 -3 -37 71.3746 5.82867 22
1 -3 37 73.3743 5.95549 6
-1 3 37 73.3799 5.88180 6
1 3 37 83.7558 5.58310 6
-1 -3 37 68.0089 5.56724 6
1 -3 -37 83.9669 7.29265 17
-1 3 -37 83.1394 6.11190 17
1 -3 -37 79.5283 5.42926 22
-1 3 -37 67.4808 5.82380 22
-2 -3 -37 8.88322 2.41684 22
2 -3 37 9.72791 2.64323 6
2 3 -37 8.27264 2.21276 22
-2 3 37 15.0676 2.71193 6
-2 3 37 8.15905 2.57325 12
-2 -3 -37 9.25701 2.96277 17
-2 3 -37 12.7264 2.72457 22
-2 3 -37 11.5856 3.11697 17
2 -3 -37 8.05561 3.05127 17
-2 -3 37 11.6666 2.83593 6
2 -3 -37 12.0922 2.73198 22
2 3 37 10.0774 2.35271 6
-3 -3 -37 50.3167 5.45655 17
-3 3 37 55.1122 4.70855 6
3 3 -37 50.3437 4.88459 22
3 -3 37 52.6165 5.03127 6
-3 -3 -37 58.2502 5.54889 22
-3 3 37 57.0503 5.06535 12
-3 3 -37 64.0786 5.90696 17
-3 -3 37 54.1904 5.94553 13
3 3 37 47.3599 4.77376 6
3 -3 -37 62.1586 6.19496 17
-3 -3 37 63.9131 5.37946 6
3 -3 -37 54.9661 5.02025 22
-4 -3 -37 17.5539 3.26259 22
4 -3 37 15.0454 3.10875 6
4 3 -37 17.9339 3.03304 22
-4 3 37 15.9515 2.84077 6
-4 3 37 18.2705 3.21145 12
-4 -3 -37 17.2258 3.55744 17
-4 -3 37 16.1057 3.07712 6
-4 3 -37 16.2604 3.22022 17
4 -3 -37 17.1078 2.91552 22
4 -3 -37 15.5285 3.83712 17
-5 3 37 32.6876 3.73696 12
5 3 -37 40.0941 4.17202 22
5 -3 37 31.3192 4.06763 6
-5 -3 -37 31.8016 4.25632 17
-5 -3 -37 33.6040 4.32631 22
-5 3 37 44.0924 4.21745 6
-5 3 -37 42.0043 4.67271 17
-5 -3 37 45.0426 4.43923 6
5 -3 -37 29.0486 3.38978 22
0 -4 37 196.794 9.55322 6
0 4 37 194.977 9.30296 6
0 4 -37 206.348 9.86794 17
0 4 -37 188.566 9.21540 22
0 -4 -37 185.444 9.15044 22
0 -4 -37 207.469 10.5160 17
-1 4 37 -0.8617 2.21686 12
-1 -4 -37 0.96062 1.94351 22
-1 -4 -37 0.62939 2.22886 17
-1 4 37 0.06134 1.69303 6
1 -4 37 1.74653 2.19226 6
1 4 -37 -0.1459 1.56085 22
1 -4 -37 0.55153 2.37877 17
-1 4 -37 0.33093 1.59925 22
1 -4 -37 -0.4671 1.85215 22
1 4 37 -0.3618 1.66689 6
-1 -4 37 -0.6809 2.12320 6
-1 4 -37 -0.4753 2.24256 17
2 4 -37 176.128 8.69789 22
-2 -4 -37 206.791 10.3688 17
2 -4 37 192.931 9.37971 6
-2 4 37 164.207 8.47507 12
-2 -4 -37 184.444 9.12532 22
-2 4 37 187.453 8.82878 6
2 -4 -37 189.884 10.0235 17
-2 -4 37 185.092 9.01506 6
2 4 37 175.920 8.93066 6
2 -4 -37 180.475 8.71777 22
-2 4 -37 190.211 9.36660 17
3 -4 37 13.1088 3.12577 6
3 4 -37 13.0751 2.54462 22
-3 4 37 11.3472 2.57812 6
-3 -4 -37 11.8549 2.97893 17
-3 4 37 13.9514 2.93710 12
-3 -4 -37 12.3897 2.80515 22
3 -4 -37 15.1127 2.84832 22
3 4 37 9.73181 2.53917 6
-3 4 -37 13.9924 3.12464 17
3 -4 -37 14.8695 3.51031 17
-3 -4 37 15.2927 3.14078 6
-3 -4 37 13.6374 3.71189 13
-4 -4 -37 164.752 8.69723 22
-4 4 37 165.461 8.01854 6
4 4 -37 156.959 8.07131 22
-4 4 37 163.693 8.07205 12
-4 -4 -37 184.236 9.66265 17
4 -4 37 162.984 8.72154 6
-4 -4 37 162.285 9.64407 13
4 -4 -37 177.118 9.49648 17
-4 -4 37 167.599 8.38204 6
-4 4 -37 164.638 8.80567 17
4 -4 -37 160.281 7.96442 22
5 -4 37 12.9969 2.96106 6
-5 4 37 16.1864 2.83627 6
5 4 -37 13.6373 2.74007 22
-5 4 37 17.1696 3.19524 12
-5 -4 -37 14.4792 2.99710 22
-5 -4 -37 17.9086 3.82995 17
-5 -4 37 13.3176 3.26719 6
-5 4 -37 19.0761 3.53958 17
5 4 37 0.96694 2.69281 6
5 -4 -37 15.6677 2.90222 22
-5 4 -37 16.4128 3.08675 22
-5 -4 37 10.5705 3.36605 13
5 -4 -37 13.0462 3.63503 17
0 -5 37 -0.9019 2.13357 6
0 5 37 -0.9635 1.54612 6
0 5 -37 -0.4179 2.53582 17
0 -5 -37 0.66395 1.97294 22
0 -5 -37 0.71681 2.34116 17
-1 -5 -37 77.6126 6.97692 17
1 5 -37 76.0548 5.25049 22
-1 5 37 76.0522 5.60705 12
1 -5 37 70.2686 5.82236 6
-1 -5 -37 70.2331 5.89578 22
-1 5 37 60.6977 5.11804 6
-1 5 -37 85.2060 6.65712 17
1 -5 -37 75.0657 5.86876 22
1 -5 -37 68.5398 6.62709 17
1 5 37 72.3536 6.03341 6
-1 -5 37 76.4931 6.00419 6
-2 -5 -37 5.26371 2.55052 17
-2 5 37 3.27508 1.84575 6
2 -5 37 6.16385 2.60115 6
-2 -5 -37 5.66767 2.30469 22
-2 5 37 5.07850 2.45717 12
2 5 -37 5.31636 2.04545 22
-2 -5 37 2.68994 2.42099 6
2 -5 -37 4.76250 2.22168 22
-2 5 -37 6.03122 2.65101 17
2 -5 -37 4.47542 2.77907 17
2 5 37 6.18183 2.08414 6
-3 5 37 70.0083 5.47327 12
-3 -5 -37 92.2701 8.00905 17
3 -5 37 64.3454 5.87390 6
3 5 -37 79.8058 5.32768 22
-3 -5 -37 60.3169 5.52898 22
-3 5 37 76.6765 5.18935 6
3 -5 -37 73.1929 5.61847 22
-3 5 -37 67.6933 5.87052 17
-3 -5 37 79.0615 5.94652 6
3 -5 -37 80.3680 7.36661 17
-3 5 -37 64.9423 5.73832 22
-3 -5 37 74.5690 7.37128 13
4 5 -37 26.3591 3.45764 22
-4 -5 -37 23.0170 3.61002 22
-4 -5 -37 22.8375 4.00750 17
-4 5 37 26.8932 3.42256 6
-4 5 37 22.2507 3.26177 12
4 -5 37 21.2059 3.48713 6
-4 5 -37 22.0249 3.35753 22
4 -5 -37 24.5637 3.29018 22
-4 5 -37 28.1131 4.12649 17
-4 -5 37 29.9687 4.02414 6
-4 -5 37 23.3090 4.37388 13
4 -5 -37 22.5804 3.99008 17
0 -6 -37 212.023 10.6502 17
0 6 37 191.578 8.97205 6
0 -6 -37 176.005 8.86112 22
0 -6 37 179.060 9.16913 6
1 -6 37 5.18274 2.46742 6
-1 -6 -37 6.31402 2.53831 22
-1 6 37 3.55952 1.88052 6
-1 -6 -37 5.36540 2.67791 17
-1 6 37 5.32062 2.57891 12
1 -6 -37 4.92830 2.71657 17
-1 -6 37 8.43064 2.83531 6
-1 6 -37 3.08616 2.55400 17
1 6 37 5.04552 2.11130 6
1 -6 -37 3.74065 2.27710 22
2 -6 37 177.001 9.02837 6
2 6 -37 171.637 8.48612 22
-2 6 37 180.516 8.50204 6
-2 6 37 157.485 8.16053 12
-2 -6 -37 179.043 9.89607 17
-2 -6 -37 166.532 8.67501 22
2 6 37 167.188 8.55271 6
-2 6 -37 173.613 8.71878 22
-2 -6 37 170.597 8.63606 6
2 -6 -37 175.026 8.46742 22
-2 6 -37 174.682 8.88756 17
2 -6 -37 189.987 9.98550 17
3 -6 37 1.53193 2.24742 6
3 6 -37 1.50893 1.68095 22
-3 6 37 0.45524 1.69659 6
-3 6 37 1.64107 2.31841 12
-3 -6 -37 0.48675 2.15599 17
-3 -6 -37 0.98815 2.07055 22
-3 6 -37 0.77327 1.77820 22
3 -6 -37 0.82449 2.16743 22
-3 6 -37 2.37152 2.25585 17
3 -6 -37 2.72258 2.76467 17
-3 -6 37 2.71814 2.64383 6
-3 -6 37 0.96014 2.73095 13
-4 -6 37 154.904 9.49070 13
0 -7 37 -0.6247 2.32760 6
0 -7 -37 -1.1473 2.31529 17
0 7 37 -1.0871 1.60015 6
0 -7 -37 1.50082 3.49461 7
0 -7 -37 0.16130 2.13819 22
0 7 -37 0.31893 1.55082 22
-1 -7 -37 37.1761 4.29449 7
1 -7 37 49.7421 4.98053 6
-1 -7 -37 39.1060 4.16520 22
-1 -7 -37 56.3941 6.23107 17
-1 7 37 36.5993 3.95396 12
-1 7 37 50.1453 4.79470 6
1 -7 -37 43.0927 4.43921 22
-1 7 -37 53.4867 5.19949 22
1 7 37 39.1641 4.05754 6
1 -7 -37 48.0511 5.79833 17
-1 -7 37 43.2294 4.80502 6
-1 7 -37 51.1023 6.12954 17
-2 7 37 7.52710 2.26468 6
-2 7 37 3.49634 2.47402 12
2 -7 37 5.59291 2.67365 6
-2 -7 -37 3.56889 2.45091 17
-2 -7 -37 4.93803 2.92086 7
-2 -7 -37 4.79867 2.45940 22
-2 -7 37 3.16251 2.75798 6
-2 7 -37 2.59398 1.79172 22
2 -7 -37 5.36397 2.47491 22
-2 7 -37 6.93506 2.80260 17
2 -7 -37 6.60456 2.97460 17
0 0 38 89.3737 5.90811 6
0 0 -38 89.6790 6.54719 17
0 0 -38 88.5655 5.85133 22
1 0 -38 5.37693 2.93174 17
-1 0 -38 4.69342 2.64404 17
-1 0 -38 7.14587 2.33054 22
1 0 38 4.63584 2.16525 6
1 0 -38 5.55377 2.07077 22
-1 0 38 6.28030 2.34995 6
2 0 -38 140.657 8.15600 17
2 0 -38 125.142 7.05260 22
2 0 38 126.290 7.25648 6
-2 0 -38 133.851 7.93480 17
-2 0 -38 120.607 7.19784 22
-2 0 38 139.066 7.36007 6
-3 0 38 22.7379 3.48368 6
3 0 -38 14.3185 2.67541 22
-3 0 -38 15.6059 2.91162 22
3 0 38 25.1099 3.68437 6
0 -1 38 -0.3191 1.91420 6
0 -1 -38 0.26627 1.77054 22
0 1 -38 -1.0984 1.62728 22
0 1 -38 0.99195 2.53177 17
0 -1 -38 0.85050 2.41739 17
0 1 38 -0.0902 1.85366 6
-1 -1 -38 121.602 7.07790 22
-1 1 38 132.581 7.21940 6
-1 -1 -38 132.530 7.92603 17
1 1 -38 127.616 7.78761 17
1 1 -38 116.000 6.88729 22
1 -1 38 141.597 7.50825 6
-1 1 -38 135.898 7.88522 17
-1 -1 38 124.163 7.07656 6
1 -1 -38 116.663 6.88700 22
1 -1 -38 133.343 7.94828 17
1 1 38 130.815 7.23107 6
-1 1 -38 124.720 7.16832 22
2 1 -38 2.33508 3.33660 17
-2 -1 -38 1.56575 1.85787 22
-2 -1 -38 0.67633 2.28145 17
2 -1 38 1.33360 1.99568 6
2 1 -38 -0.0069 1.67277 22
-2 1 38 1.00580 2.01565 6
-2 1 -38 1.41213 1.80992 22
-2 1 -38 0.93667 2.31189 17
2 1 38 0.87429 1.91377 6
2 -1 -38 0.59437 1.80470 22
2 -1 -38 2.11908 2.73572 17
-2 -1 38 1.01892 2.05467 6
3 1 -38 134.593 7.13254 22
-3 1 38 133.521 7.25144 6
3 1 38 131.249 7.44524 6
-3 1 -38 134.010 7.53132 22
-3 -1 38 137.444 7.19548 6
3 -1 -38 131.397 7.14841 22
0 2 38 98.9396 6.20489 6
0 -2 -38 94.7678 6.10266 22
0 2 -38 96.5329 6.10934 22
0 -2 38 103.397 6.42670 6
0 2 -38 99.1001 6.71085 17
0 -2 -38 100.695 7.07208 17
-1 2 38 1.38941 1.89748 6
1 2 -38 -1.2206 2.53531 17
-1 -2 -38 -0.5945 1.75350 22
-1 -2 -38 -0.9712 2.20208 17
1 -2 38 1.39040 2.11184 6
1 2 -38 0.29553 1.64727 22
-1 -2 38 0.06452 2.06477 6
-1 2 -38 0.77068 2.37153 17
1 -2 -38 -0.1835 1.79867 22
-1 2 -38 -0.2786 1.63698 22
1 2 38 0.42341 1.88250 6
1 -2 -38 -0.0755 2.49151 17
-2 -2 -38 63.6214 6.04509 17
-2 2 38 75.3291 5.85968 6
2 -2 38 71.6871 5.93770 6
2 2 -38 61.4544 5.18304 22
-2 -2 -38 66.7400 5.76341 22
2 2 38 63.7610 5.70482 6
-2 2 -38 68.0343 5.68063 22
2 -2 -38 55.1824 4.85270 22
-2 2 -38 81.0717 6.73268 17
2 -2 -38 70.9231 6.33853 17
-2 -2 38 80.1753 6.02327 6
0 3 -38 0.00950 1.57909 22
0 -3 -38 -0.5260 1.82178 22
0 3 -38 -0.1777 2.50651 17
0 -3 -38 -0.7132 2.28724 17
0 -3 38 -0.2962 2.06071 6
0 3 38 -1.9160 1.67543 6
-1 3 38 65.1935 5.28450 6
1 3 -38 55.7768 4.98805 22
-1 -3 -38 55.7040 4.87730 22
-1 -3 -38 47.1014 5.20037 17
1 -3 38 50.5655 4.88782 6
-1 -3 38 50.1062 4.77003 6
1 -3 -38 42.5915 4.21871 22
-1 3 -38 50.7393 5.01359 22
-1 3 -38 70.2915 6.07571 17
1 3 38 45.2994 4.48197 6
1 -3 -38 69.2623 6.54104 17
2 3 -38 3.48373 1.79479 22
2 -3 -38 2.58756 2.04011 22
-2 3 -38 3.40920 1.98914 22
0 0 0 0.00 0.00 0
_exptl_absorpt_process_details
)
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
J. Appl. Cryst. 48 (2015) 3-10
)
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_correction_T_max 0.6142
_exptl_absorpt_correction_T_min 0.3722
_exptl_special_details
)
The following wavelength and cell were deduced by SADABS from the
direction cosines etc. They are given here for emergency use only:
CELL 0.51337 8.443 10.567 13.803 90.006 89.996 89.974
)
;
_shelx_hkl_checksum 62525
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.55248(7) 0.67712(5) 0.40073(4) 0.00752(5) Uani 1 1 d . . . . .
O2 O 0.63147(7) 0.64890(5) 0.60980(4) 0.00788(6) Uani 1 1 d . . . . .
O3 O 0.31244(7) 0.60731(5) 0.53754(4) 0.00844(6) Uani 1 1 d . . . . .
O4 O 0.44302(6) 0.86145(5) 0.54168(4) 0.00697(5) Uani 1 1 d . . . . .
O5 O 0.77225(7) 0.64048(6) 0.20095(4) 0.00936(6) Uani 1 1 d D . . . .
H5A H 0.863(2) 0.645(2) 0.1787(18) 0.024(6) Uiso 1 1 d D . . . .
H5B H 0.732(3) 0.708(2) 0.181(2) 0.031(7) Uiso 1 1 d D . . . .
O6 O 0.96253(8) 0.40787(6) 0.30019(4) 0.01004(7) Uani 1 1 d D . . . .
H6A H 0.934(3) 0.398(3) 0.2437(13) 0.032(7) Uiso 1 1 d D . . . .
H6B H 0.939(3) 0.3420(19) 0.3290(18) 0.027(6) Uiso 1 1 d D . . . .
Na1 Na 0.75927(4) 0.54890(4) 0.35231(3) 0.00761(4) Uani 1 1 d . . . . .
Na2 Na 0.65562(4) 0.49554(3) 0.08566(3) 0.00759(4) Uani 1 1 d . . . . .
W1 W 0.48650(2) 0.69837(2) 0.52276(2) 0.00406(0) Uani 1 1 d . . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O1 0.00801(15) 0.00871(13) 0.00583(12) -0.00063(10) 0.00109(10) 0.00061(11)
O2 0.00832(14) 0.00869(13) 0.00664(13) 0.00018(11) -0.00182(11) 0.00185(11)
O3 0.00829(15) 0.00835(14) 0.00868(14) 0.00056(11) 0.00051(11) -0.00289(11)
O4 0.00781(14) 0.00531(11) 0.00778(13) -0.00042(10) -0.00002(11) 0.00092(9)
O5 0.00973(16) 0.01029(15) 0.00806(15) 0.00166(12) 0.00116(12) 0.00084(12)
O6 0.01283(18) 0.00905(14) 0.00825(15) -0.00039(12) -0.00117(13) 0.00029(13)
Na1 0.00769(10) 0.00844(10) 0.00669(9) 0.00056(8) 0.00052(8) 0.00047(8)
Na2 0.00785(10) 0.00739(9) 0.00754(10) -0.00027(8) -0.00025(8) 0.00066(8)
W1 0.00440(1) 0.00386(1) 0.00392(1) -0.00009(0) -0.00014(0) 0.00001(0)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0044 0.0030 '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'
Na Na 0.0182 0.0125 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.3261 4.0239 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
W1 O1 Na1 125.58(3) . . ?
W1 O2 Na2 127.47(3) . 2_665 ?
W1 O3 Na1 132.73(3) . 5_666 ?
W1 O3 Na2 129.01(3) . 6_556 ?
Na1 O3 Na2 88.32(3) 5_666 6_556 ?
W1 O4 Na1 128.44(3) . 4_466 ?
W1 O4 Na2 122.29(3) . 3_655 ?
Na1 O4 Na2 89.35(3) 4_466 3_655 ?
W1 O4 Na2 119.18(3) . 7_576 ?
Na1 O4 Na2 94.70(3) 4_466 7_576 ?
Na2 O4 Na2 94.12(2) 3_655 7_576 ?
Na1 O5 Na2 108.11(3) . . ?
Na1 O6 Na2 92.77(3) . 6_656 ?
O5 Na1 O1 92.97(3) . . ?
O5 Na1 O3 154.60(3) . 5_666 ?
O1 Na1 O3 91.76(3) . 5_666 ?
O5 Na1 O4 111.48(3) . 4_566 ?
O1 Na1 O4 94.75(3) . 4_566 ?
O3 Na1 O4 92.96(3) 5_666 4_566 ?
O5 Na1 O6 87.42(3) . . ?
O1 Na1 O6 176.89(3) . . ?
O3 Na1 O6 86.59(3) 5_666 . ?
O4 Na1 O6 87.97(3) 4_566 . ?
O5 Na1 Na2 157.62(2) . 2_665 ?
O1 Na1 Na2 88.06(2) . 2_665 ?
O3 Na1 Na2 47.480(18) 5_666 2_665 ?
O4 Na1 Na2 46.219(17) 4_566 2_665 ?
O6 Na1 Na2 92.76(2) . 2_665 ?
O5 Na1 Na2 104.12(2) . 6_656 ?
O1 Na1 Na2 138.31(2) . 6_656 ?
O3 Na1 Na2 88.54(2) 5_666 6_656 ?
O4 Na1 Na2 43.650(17) 4_566 6_656 ?
O6 Na1 Na2 44.348(19) . 6_656 ?
Na2 Na1 Na2 62.275(12) 2_665 6_656 ?
O5 Na1 W1 115.60(2) . . ?
O1 Na1 W1 23.467(14) . . ?
O3 Na1 W1 73.85(2) 5_666 . ?
O4 Na1 W1 80.77(2) 4_566 . ?
O6 Na1 W1 156.76(2) . . ?
Na2 Na1 W1 64.816(15) 2_665 . ?
Na2 Na1 W1 121.007(17) 6_656 . ?
O5 Na1 W1 95.40(2) . 4_566 ?
O1 Na1 W1 80.44(2) . 4_566 ?
O3 Na1 W1 109.99(2) 5_666 4_566 ?
O4 Na1 W1 22.073(13) 4_566 4_566 ?
O6 Na1 W1 102.60(2) . 4_566 ?
Na2 Na1 W1 62.703(12) 2_665 4_566 ?
Na2 Na1 W1 60.557(12) 6_656 4_566 ?
W1 Na1 W1 73.464(16) . 4_566 ?
O2 Na2 O4 89.18(2) 2_664 3_645 ?
O2 Na2 O5 90.39(3) 2_664 . ?
O4 Na2 O5 174.00(3) 3_645 . ?
O2 Na2 O4 173.54(3) 2_664 7_575 ?
O4 Na2 O4 85.89(2) 3_645 7_575 ?
O5 Na2 O4 94.08(3) . 7_575 ?
O2 Na2 O6 99.77(3) 2_664 6_556 ?
O4 Na2 O6 90.95(3) 3_645 6_556 ?
O5 Na2 O6 95.02(3) . 6_556 ?
O4 Na2 O6 84.50(3) 7_575 6_556 ?
O2 Na2 O3 89.91(3) 2_664 6_656 ?
O4 Na2 O3 87.96(3) 3_645 6_656 ?
O5 Na2 O3 86.06(3) . 6_656 ?
O4 Na2 O3 85.75(3) 7_575 6_656 ?
O6 Na2 O3 170.24(3) 6_556 6_656 ?
O2 Na2 Na1 83.231(19) 2_664 2_664 ?
O4 Na2 Na1 44.433(18) 3_645 2_664 ?
O5 Na2 Na1 129.59(2) . 2_664 ?
O4 Na2 Na1 90.32(2) 7_575 2_664 ?
O6 Na2 Na1 135.38(2) 6_556 2_664 ?
O3 Na2 Na1 44.202(17) 6_656 2_664 ?
O2 Na2 Na1 142.25(2) 2_664 6_556 ?
O4 Na2 Na1 86.72(2) 3_645 6_556 ?
O5 Na2 Na1 97.25(2) . 6_556 ?
O4 Na2 Na1 41.646(17) 7_575 6_556 ?
O6 Na2 Na1 42.881(19) 6_556 6_556 ?
O3 Na2 Na1 127.36(2) 6_656 6_556 ?
Na1 Na2 Na1 117.725(12) 2_664 6_556 ?
O2 Na2 Na2 132.18(2) 2_664 5_665 ?
O4 Na2 Na2 43.134(16) 3_645 5_665 ?
O5 Na2 Na2 136.52(2) . 5_665 ?
O4 Na2 Na2 42.752(16) 7_575 5_665 ?
O6 Na2 Na2 86.88(3) 6_556 5_665 ?
O3 Na2 Na2 85.69(3) 6_656 5_665 ?
Na1 Na2 Na2 61.174(18) 2_664 5_665 ?
Na1 Na2 Na2 56.550(18) 6_556 5_665 ?
O2 Na2 W1 154.00(2) 2_664 7_575 ?
O4 Na2 W1 102.33(2) 3_645 7_575 ?
O5 Na2 W1 75.74(2) . 7_575 ?
O4 Na2 W1 25.289(13) 7_575 7_575 ?
O6 Na2 W1 103.21(2) 6_556 7_575 ?
O3 Na2 W1 67.61(2) 6_656 7_575 ?
Na1 Na2 W1 88.822(13) 2_664 7_575 ?
Na1 Na2 W1 62.628(10) 6_556 7_575 ?
Na2 Na2 W1 61.678(12) 5_665 7_575 ?
O2 Na2 W1 75.86(2) 2_664 3_645 ?
O4 Na2 W1 24.158(13) 3_645 3_645 ?
O5 Na2 W1 160.20(2) . 3_645 ?
O4 Na2 W1 100.90(2) 7_575 3_645 ?
O6 Na2 W1 73.84(2) 6_556 3_645 ?
O3 Na2 W1 107.74(2) 6_656 3_645 ?
Na1 Na2 W1 63.713(11) 2_664 3_645 ?
Na1 Na2 W1 85.719(13) 6_556 3_645 ?
Na2 Na2 W1 60.572(12) 5_665 3_645 ?
W1 Na2 W1 122.250(15) 7_575 3_645 ?
O3 W1 O4 109.79(3) . . ?
O3 W1 O1 107.41(3) . . ?
O4 W1 O1 108.89(3) . . ?
O3 W1 O2 109.34(3) . . ?
O4 W1 O2 108.94(3) . . ?
O1 W1 O2 112.45(3) . . ?
O3 W1 Na2 141.43(2) . 7_576 ?
O4 W1 Na2 35.53(2) . 7_576 ?
O1 W1 Na2 102.36(2) . 7_576 ?
O2 W1 Na2 80.32(2) . 7_576 ?
O3 W1 Na1 111.28(2) . . ?
O4 W1 Na1 130.014(19) . . ?
O1 W1 Na1 30.949(19) . . ?
O2 W1 Na1 82.82(2) . . ?
Na2 W1 Na1 106.903(14) 7_576 . ?
O3 W1 Na2 103.92(2) . 3_655 ?
O4 W1 Na2 33.56(2) . 3_655 ?
O1 W1 Na2 79.97(2) . 3_655 ?
O2 W1 Na2 138.061(19) . 3_655 ?
Na2 W1 Na2 57.749(16) 7_576 3_655 ?
Na1 W1 Na2 108.241(14) . 3_655 ?
O3 W1 Na1 84.77(3) . 4_466 ?
O4 W1 Na1 29.483(19) . 4_466 ?
O1 W1 Na1 133.523(19) . 4_466 ?
O2 W1 Na1 104.56(2) . 4_466 ?
Na2 W1 Na1 56.815(15) 7_576 4_466 ?
Na1 W1 Na1 159.424(4) . 4_466 ?
Na2 W1 Na1 53.583(14) 3_655 4_466 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 W1 1.7877(6) . ?
O1 Na1 2.3087(7) . ?
O2 W1 1.7926(6) . ?
O2 Na2 2.3815(7) 2_665 ?
O3 W1 1.7682(6) . ?
O3 Na1 2.3243(7) 5_666 ?
O3 Na2 2.4571(8) 6_556 ?
O4 W1 1.7815(6) . ?
O4 Na1 2.3331(7) 4_466 ?
O4 Na2 2.4060(7) 3_655 ?
O4 Na2 2.4234(7) 7_576 ?
O5 Na1 2.3046(8) . ?
O5 Na2 2.4180(8) . ?
O6 Na1 2.3838(8) . ?
O6 Na2 2.4488(8) 6_656 ?
Na1 Na2 3.3324(9) 2_665 ?
Na1 Na2 3.4991(9) 6_656 ?
Na1 W1 3.6508(6) . ?
Na1 W1 3.7128(6) 4_566 ?
Na2 Na2 3.5354(9) 5_665 ?
Na2 W1 3.6409(7) 7_575 ?
Na2 W1 3.6799(6) 3_645 ?