#------------------------------------------------------------------------------
#$Date: 2021-09-18 02:00:10 +0300 (Sat, 18 Sep 2021) $
#$Revision: 269192 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/83/7708306.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7708306
loop_
_publ_author_name
'Eilrich, Volker Jens'
'Grell, Toni'
'Lönnecke, Peter'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02639A
_journal_year                    2021
_chemical_formula_moiety         'C28 H63 P9'
_chemical_formula_sum            'C28 H63 P9'
_chemical_formula_weight         678.51
_chemical_melting_point          ?
_chemical_name_common            Hepta-tert-butyl-nonaphosphine(7)
_chemical_name_systematic
;
'1,3,3',4,4',5,5'-Hepta-tert-butyl-nonaphosphine(7)'
;
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-07-19 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                84.231(2)
_cell_angle_beta                 82.229(2)
_cell_angle_gamma                77.488(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8283(2)
_cell_length_b                   13.4869(3)
_cell_length_c                   15.1621(3)
_cell_measurement_reflns_used    23310
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      35.0270
_cell_measurement_theta_min      2.6660
_cell_volume                     1938.76(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.3560
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.934
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            56616
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.907
_diffrn_reflns_theta_min         2.368
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.418
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_description       plate
_exptl_crystal_F_000             732
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         15838
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0275P)²+0.3264P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0623
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13663
_reflns_number_total             15838
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02639a2.cif
_cod_data_source_block           x2915
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'Not measured' was changed
to '?' -- the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7708306
_shelx_shelxl_version_number     2018/3
_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_res_file
;
TITL x2915_P9tBu7
    shelx.res
    created by SHELXL-2018/3 at 11:35:12 on 19-Jul-2021
CELL  0.71073   9.8283  13.4869  15.1621   84.231   82.229   77.488
ZERR     2.00   0.0002   0.0003   0.0003    0.002    0.002    0.002
LATT   1
SFAC  C    H    P
UNIT  56 126 18
MERG   2
SHEL 100000 0.6
FMAP   2
PLAN   20
ACTA
BOND   $H
CONF
LIST   4
OMIT 2  -4   2
L.S.  10
TEMP  -143.15
WGHT    0.027500    0.326400
FVAR       6.09892
C1    1    0.634065    0.496080    0.809847    11.00000    0.01803    0.01895 =
         0.02073   -0.00300   -0.00287   -0.00527
C2    1    0.626615    0.592875    0.856653    11.00000    0.02819    0.02084 =
         0.03416   -0.00664   -0.00288   -0.00854
AFIX 137
H2A   2    0.603173    0.579741    0.921069    11.00000   -1.50000
H2B   2    0.554235    0.647686    0.833753    11.00000   -1.50000
H2C   2    0.717668    0.613158    0.845098    11.00000   -1.50000
AFIX   0
C3    1    0.667882    0.515679    0.709202    11.00000    0.02263    0.03691 =
         0.02413   -0.00181    0.00258   -0.01237
AFIX 137
H3A   2    0.593900    0.569379    0.686561    11.00000   -1.50000
H3B   2    0.673435    0.453053    0.680043    11.00000   -1.50000
H3C   2    0.758027    0.537192    0.696367    11.00000   -1.50000
AFIX   0
C4    1    0.746564    0.410376    0.845556    11.00000    0.02176    0.02470 =
         0.03780   -0.00506   -0.01045   -0.00192
AFIX 137
H4A   2    0.838111    0.429804    0.832878    11.00000   -1.50000
H4B   2    0.749631    0.348083    0.816518    11.00000   -1.50000
H4C   2    0.724115    0.398266    0.910180    11.00000   -1.50000
AFIX   0
C5    1    0.169195    0.628815    0.847882    11.00000    0.02109    0.01603 =
         0.02076   -0.00178    0.00242    0.00083
C6    1    0.113446    0.560211    0.923995    11.00000    0.02568    0.02208 =
         0.02340   -0.00121    0.00773   -0.00075
AFIX 137
H6A   2    0.190313    0.525339    0.958000    11.00000   -1.50000
H6B   2    0.073743    0.509644    0.899523    11.00000   -1.50000
H6C   2    0.040429    0.601529    0.963412    11.00000   -1.50000
AFIX   0
C7    1    0.231284    0.707958    0.885714    11.00000    0.03666    0.02235 =
         0.03000   -0.01039    0.00596   -0.00552
AFIX 137
H7A   2    0.158701    0.748756    0.925767    11.00000   -1.50000
H7B   2    0.265783    0.752551    0.836644    11.00000   -1.50000
H7C   2    0.309140    0.673262    0.918964    11.00000   -1.50000
AFIX   0
C8    1    0.049388    0.682632    0.794150    11.00000    0.02531    0.02974 =
         0.02951    0.00061    0.00054    0.00804
AFIX 137
H8A   2   -0.022749    0.725736    0.832730    11.00000   -1.50000
H8B   2    0.008312    0.631676    0.771358    11.00000   -1.50000
H8C   2    0.085967    0.724909    0.743993    11.00000   -1.50000
AFIX   0
C9    1    0.229479    0.436319    0.614647    11.00000    0.02094    0.02162 =
         0.01656    0.00050   -0.00525   -0.00477
C10   1    0.103161    0.521630    0.597701    11.00000    0.02255    0.04328 =
         0.02765    0.00548   -0.00993    0.00110
AFIX 137
H10A  2    0.118193    0.585595    0.616253    11.00000   -1.50000
H10B  2    0.018303    0.504654    0.632039    11.00000   -1.50000
H10C  2    0.092046    0.529307    0.533954    11.00000   -1.50000
AFIX   0
C11   1    0.205212    0.334402    0.591068    11.00000    0.05874    0.03477 =
         0.02618   -0.00382   -0.01009   -0.02359
AFIX 137
H11A  2    0.196487    0.337552    0.527170    11.00000   -1.50000
H11B  2    0.118851    0.320241    0.625549    11.00000   -1.50000
H11C  2    0.284745    0.280093    0.605373    11.00000   -1.50000
AFIX   0
C12   1    0.359817    0.461095    0.558424    11.00000    0.02468    0.02858 =
         0.01583    0.00286   -0.00086   -0.00346
AFIX 137
H12A  2    0.345615    0.468189    0.495171    11.00000   -1.50000
H12B  2    0.440716    0.406025    0.568337    11.00000   -1.50000
H12C  2    0.377122    0.525040    0.575531    11.00000   -1.50000
AFIX   0
C13   1    0.370934    0.190733    0.938731    11.00000    0.01665    0.01657 =
         0.01581    0.00039    0.00082   -0.00143
C14   1    0.241212    0.273733    0.961786    11.00000    0.02158    0.02379 =
         0.02079   -0.00030    0.00456    0.00233
AFIX 137
H14A  2    0.209742    0.266459    1.025809    11.00000   -1.50000
H14B  2    0.166034    0.267072    0.927809    11.00000   -1.50000
H14C  2    0.264764    0.340836    0.946509    11.00000   -1.50000
AFIX   0
C15   1    0.492304    0.203064    0.987014    11.00000    0.02439    0.02186 =
         0.01674   -0.00107   -0.00362   -0.00358
AFIX 137
H15A  2    0.517643    0.268806    0.967188    11.00000   -1.50000
H15B  2    0.573415    0.147976    0.973290    11.00000   -1.50000
H15C  2    0.463723    0.200322    1.051542    11.00000   -1.50000
AFIX   0
C16   1    0.333972    0.085971    0.966081    11.00000    0.02280    0.02162 =
         0.02243    0.00474   -0.00017   -0.00598
AFIX 137
H16A  2    0.412644    0.032374    0.944952    11.00000   -1.50000
H16B  2    0.250206    0.081495    0.939476    11.00000   -1.50000
H16C  2    0.315509    0.077273    1.031248    11.00000   -1.50000
AFIX   0
C17   1    0.936093    0.088590    0.805433    11.00000    0.01506    0.02286 =
         0.02136   -0.00087   -0.00480   -0.00337
C18   1    0.902877    0.127271    0.899047    11.00000    0.02771    0.03458 =
         0.02390   -0.00514   -0.01002    0.00023
AFIX 137
H18A  2    0.981857    0.098958    0.933390    11.00000   -1.50000
H18B  2    0.818206    0.105832    0.929250    11.00000   -1.50000
H18C  2    0.887303    0.201785    0.894436    11.00000   -1.50000
AFIX   0
C19   1    1.066149    0.123511    0.756295    11.00000    0.01855    0.04482 =
         0.03431    0.00487   -0.00661   -0.01181
AFIX 137
H19A  2    1.050798    0.197936    0.754083    11.00000   -1.50000
H19B  2    1.083263    0.101504    0.695397    11.00000   -1.50000
H19C  2    1.147645    0.093448    0.787949    11.00000   -1.50000
AFIX   0
C20   1    0.962768   -0.027379    0.813137    11.00000    0.02351    0.02235 =
         0.03266   -0.00027   -0.01016    0.00165
AFIX 137
H20A  2    1.042378   -0.054550    0.847210    11.00000   -1.50000
H20B  2    0.984073   -0.052470    0.753326    11.00000   -1.50000
H20C  2    0.879006   -0.049691    0.843828    11.00000   -1.50000
AFIX   0
C21   1    0.808638    0.158227    0.524080    11.00000    0.01801    0.01763 =
         0.01756    0.00114    0.00062   -0.00237
C22   1    0.686020    0.249395    0.531885    11.00000    0.02722    0.01965 =
         0.02483    0.00303    0.00077    0.00247
AFIX 137
H22A  2    0.692593    0.286988    0.582675    11.00000   -1.50000
H22B  2    0.597462    0.225512    0.541032    11.00000   -1.50000
H22C  2    0.689230    0.294257    0.476963    11.00000   -1.50000
AFIX   0
C23   1    0.798851    0.099885    0.444466    11.00000    0.02691    0.02845 =
         0.01790   -0.00212   -0.00108   -0.00296
AFIX 137
H23A  2    0.794637    0.146361    0.390437    11.00000   -1.50000
H23B  2    0.714031    0.071282    0.455480    11.00000   -1.50000
H23C  2    0.881618    0.044639    0.436483    11.00000   -1.50000
AFIX   0
C24   1    0.947777    0.193989    0.511931    11.00000    0.02494    0.02787 =
         0.03306    0.00635   -0.00160   -0.01089
AFIX 137
H24A  2    1.025757    0.134798    0.507938    11.00000   -1.50000
H24B  2    0.953203    0.231453    0.563047    11.00000   -1.50000
H24C  2    0.953580    0.238643    0.457018    11.00000   -1.50000
AFIX   0
C25   1    0.602744   -0.095410    0.669116    11.00000    0.02072    0.01645 =
         0.02158   -0.00293   -0.00160   -0.00609
C26   1    0.616950   -0.128107    0.573936    11.00000    0.03039    0.02536 =
         0.02660   -0.00965   -0.00029   -0.00852
AFIX 137
H26A  2    0.612763   -0.200259    0.576047    11.00000   -1.50000
H26B  2    0.706998   -0.117842    0.542019    11.00000   -1.50000
H26C  2    0.540184   -0.087151    0.542809    11.00000   -1.50000
AFIX   0
C27   1    0.461810   -0.109497    0.720173    11.00000    0.02661    0.02808 =
         0.02765   -0.00225    0.00103   -0.01362
AFIX 137
H27A  2    0.385068   -0.066390    0.690372    11.00000   -1.50000
H27B  2    0.455552   -0.090116    0.781404    11.00000   -1.50000
H27C  2    0.454683   -0.180994    0.721394    11.00000   -1.50000
AFIX   0
C28   1    0.722662   -0.159063    0.717438    11.00000    0.02918    0.01635 =
         0.03499    0.00099   -0.00816   -0.00386
AFIX 137
H28A  2    0.712643   -0.139089    0.778744    11.00000   -1.50000
H28B  2    0.812494   -0.147591    0.686078    11.00000   -1.50000
H28C  2    0.719815   -0.231363    0.718504    11.00000   -1.50000
AFIX   0
P1    3    0.460662    0.456408    0.846917    11.00000    0.01716    0.01523 =
         0.01407   -0.00099   -0.00128   -0.00319
P2    3    0.311922    0.561502    0.764702    11.00000    0.01621    0.01381 =
         0.01581   -0.00047    0.00038   -0.00138
P3    3    0.237824    0.423814    0.739041    11.00000    0.01399    0.01536 =
         0.01513    0.00050   -0.00084   -0.00220
P4    3    0.456311    0.340664    0.751762    11.00000    0.01417    0.01366 =
         0.01371   -0.00046   -0.00090   -0.00165
P5    3    0.411498    0.194641    0.813403    11.00000    0.01291    0.01328 =
         0.01485   -0.00058   -0.00136   -0.00178
P6    3    0.609926    0.080446    0.795644    11.00000    0.01424    0.01378 =
         0.01466   -0.00110   -0.00181   -0.00087
P7    3    0.786808    0.155296    0.739566    11.00000    0.01491    0.01479 =
         0.01787   -0.00167   -0.00324   -0.00231
P8    3    0.815964    0.061883    0.623643    11.00000    0.01493    0.01448 =
         0.01645   -0.00097   -0.00047   -0.00141
P9    3    0.594468    0.046574    0.658035    11.00000    0.01537    0.01525 =
         0.01529   -0.00146   -0.00220   -0.00266
HKLF    4




REM  x2915_P9tBu7
REM wR2 = 0.0623, GooF = S = 1.062, Restrained GooF = 1.062 for all data
REM R1 = 0.0245 for 13663 Fo > 4sig(Fo) and 0.0316 for all 15838 data
REM 355 parameters refined using 0 restraints

END

WGHT      0.0279      0.3225

REM Highest difference peak  0.412,  deepest hole -0.227,  1-sigma level  0.047
Q1    1   0.2209  0.3895  0.6053  11.00000  0.05    0.41
Q2    1   0.6536  0.4993  0.7592  11.00000  0.05    0.38
Q3    1   0.8755  0.1818  0.5147  11.00000  0.05    0.37
Q4    1   0.6139 -0.1083  0.6198  11.00000  0.05    0.37
Q5    1   0.9077  0.1107  0.8538  11.00000  0.05    0.36
Q6    1   0.6852  0.4595  0.8247  11.00000  0.05    0.35
Q7    1   0.4335  0.1980  0.9609  11.00000  0.05    0.34
Q8    1   0.2230  0.5966  0.8164  11.00000  0.05    0.34
Q9    1   0.6224  0.5414  0.8356  11.00000  0.05    0.34
Q10   1   0.1621  0.4791  0.6076  11.00000  0.05    0.34
Q11   1   0.2320  0.4305  0.6657  11.00000  0.05    0.34
Q12   1   0.6453 -0.1245  0.7005  11.00000  0.05    0.33
Q13   1   0.2942  0.4441  0.5860  11.00000  0.05    0.33
Q14   1   0.8125  0.1271  0.4805  11.00000  0.05    0.32
Q15   1   0.3461  0.1403  0.9501  11.00000  0.05    0.32
Q16   1   0.7468  0.2006  0.5289  11.00000  0.05    0.31
Q17   1   0.1068  0.6566  0.8235  11.00000  0.05    0.31
Q18   1   0.9582  0.0285  0.8039  11.00000  0.05    0.31
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   1  -8  -1 229466. 1987.09  13
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   2  -6  13 13605.7 654.248  12
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   2  -6  14 60380.1 1423.92  12
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   2  -6  14 58496.6 1387.43   5
   2  -6  14 58393.2 1394.31   3
   2  -6  15 447.955 229.416   5
   2  -6  15 675.834 236.084  12
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   2  -6  16 40454.7 1243.43   5
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   2  -5  -4 13343.5 372.150   4
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   2  -5  -3 38317.4 733.476   2
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   2  -5  -2 56432.2 864.159   2
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   2  -5   1 45866.7 683.506   7
   2  -5   1 46439.7 350.643  11
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   2  -5   2 7445.01 312.136  13
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   2  -5   3 23991.1 463.416   3
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   2  -5   3 24539.3 559.411  13
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  -2   5  -4 164404. 1586.76   1
  -2   5  -4 163694. 1501.12  14
   2  -5   4 161858. 1410.70  13
  -2   5  -4 160221. 1303.68   6
   2  -5   4 162176. 1304.43   3
   2  -5   4 159691. 1505.07  15
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   2  -5   5 1930.90 165.041  13
   2  -5   5 2739.25 198.076   3
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   2  -5   5 2445.63 188.611   8
   2  -5   6 1861.73 168.433   8
   2  -5   6 1599.12 185.881   5
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   2  -5   6 1608.22 153.824  13
  -2   5  -6 1727.45 223.331  14
   2  -5   6 2204.40 194.923   3
  -2   5  -7 170018. 1843.49  14
   2  -5   7 165335. 1623.99   3
   2  -5   7 169417. 1455.11  13
   2  -5   7 170023. 1370.17   8
   2  -5   7 170522. 1767.17   5
  -2   5  -7 173089. 967.131  11
  -2   5  -7 172318. 1826.21   1
   2  -5   8 1169.04 155.324  13
  -2   5  -8 1152.01 107.853  11
   2  -5   8 1142.15 130.129   8
   2  -5   8 1001.45 195.373   5
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   2  -5   8 1304.50 200.883  12
   2  -5   8 950.682 175.152   3
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   2  -5   9 186196. 1997.89   5
   2  -5   9 184759. 1519.82  13
   2  -5   9 183955. 1920.75   3
  -2   5  -9 182759. 2125.37  14
  -2   5  -9 189273. 1302.89  11
   2  -5   9 188281. 1426.83   8
   2  -5   9 192557. 1995.08  12
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   2  -5  10 4533.39 353.694   5
   2  -5  10 4588.76 342.981   3
   2  -5  10 3749.00 326.021  12
   2  -5  10 4822.51 262.589  13
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   2  -5  10 4627.35 232.192   8
  -2   5 -11 248.499 92.1107  11
   2  -5  11 503.814 183.260  12
   2  -5  11 185.054 157.530   3
   2  -5  11 144.836 98.2708  13
   2  -5  11 14.0983 154.212   5
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   2  -5  12 515.149 180.417  12
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   2  -5  12 884.333 216.756   5
   2  -5  12 719.860 198.624   3
   2  -5  13 20592.9 781.662   5
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   2  -5  13 20374.2 782.638   3
   2  -5  13 21227.2 789.891  12
  -2   5 -14 6824.39 479.278   1
   2  -5  14 7037.04 497.820   3
   2  -5  14 6806.28 489.859  12
   2  -5  14 7060.22 500.930   5
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   3  -5   5 158580. 1471.98   8
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   3  -4   1 308704. 1083.99   3
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   3  -4   1 305249. 1922.11  13
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   3  -4   1 306791. 1933.91   4
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   3  -4   3 300476. 1490.77   3
   3  -4   3 301725. 1908.53  13
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   3  -4   3 301825. 1912.15   8
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   3  -4   4 10792.3 372.529   8
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   3  -4   4 10559.3 364.609  13
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   3  -4   5 198842. 1548.25  13
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   3  -4   9 127980. 1277.46   8
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   3  -4   9 126665. 1225.00  13
   3  -4   9 123504. 1546.01  12
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   3  -4  12 1818.65 164.288   8
   3  -4  12 2120.37 271.389   3
   3  -4  12 1944.23 268.974   5
   3  -4  12 2200.71 264.360  12
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   4  -3   2 16681.7 474.590  13
   4  -3   2 17751.6 495.856   4
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   4  -3   4 5478.78 280.910   8
   4  -3   5 10868.9 396.897   8
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   4  -3   5 11099.1 383.476  13
   4  -3   5 10523.8 340.522   3
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   4  -3   6 73417.8 1011.62   8
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   4  -3   6 72833.9 957.016   3
   4  -3   6 71734.5 1132.54   5
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   4  -3   7 54502.4 888.649   3
   4  -3   7 54930.1 1032.52   5
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   4  -3   7 54181.6 885.742   8
   4  -3   8 169170. 1660.88   3
   4  -3   8 171311. 1580.22   8
  -4   3  -8 170904. 1894.10  14
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   4  -3   8 167273. 1864.48   5
   4  -3   9 69041.3 1134.65   3
   4  -3   9 70511.3 1122.25  12
   4  -3   9 67980.2 1246.93   5
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   4  -3   9 68466.0 1015.21   8
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  -4   3 -11 189319. 2190.38   1
   4  -3  11 188475. 1718.01   8
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   4  -3  11 186116. 2062.00   3
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   4  -3  11 191735. 2029.64  12
   4  -3  11 186010. 2217.01   5
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   4  -3  12 652.568 239.890   5
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   4  -3  13 131625. 1456.33   8
   4  -3  13 129326. 1994.19   5
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   4  -3  13 131291. 1832.35  12
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   4  -3  13 129948. 1889.02   3
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   4  -3  14 4203.13 396.707   3
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   4  -2 -14 1064.24 231.544  11
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   4  -2 -12 3824.75 343.933   7
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   4  -2 -12 3826.97 361.767  11
   4  -2 -11 53.7460 152.526   4
   4  -2 -11 463.795 163.560   9
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   4  -2 -11-105.433 151.341   7
   4  -2 -11 263.556 165.723  11
   4  -2 -10 41931.1 882.285   4
   4  -2 -10 43098.1 984.939   9
   4  -2 -10 41795.3 989.939   7
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   4  -2 -10 42507.8 1034.25  11
   4  -2  -9 57417.0 1000.51   4
   4  -2  -9 55236.7 1080.84   9
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   4  -2  -9 55870.1 1105.21   7
  -4   2   9 57810.1 1087.48  12
   4  -2  -9 57149.2 1143.25  11
   4  -2  -8 191846. 1758.76   4
  -4   2   8 184744. 1540.64   3
   4  -2  -8 193729. 1922.81   9
   4  -2  -8 187212. 1951.01   7
  -4   2   8 193801. 1880.97  12
   4  -2  -8 188672. 2003.86  11
   4  -2  -7 5650.08 311.832   4
   4  -2  -7 5244.09 325.261   9
   4  -2  -7 5406.96 339.761   7
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   4  -2  -7 6035.79 359.103  11
   4  -2  -6 294548. 2193.82   9
  -4   2   6 288395. 1624.73   3
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   4  -2  -6 277264. 2243.88  11
   4  -2  -6 286221. 2240.63   7
   4  -2  -6 283747. 2034.65   4
   4  -2  -5 56.4612 100.279   4
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   4  -2  -5 218.026 111.673   7
   4  -2  -5 69.4116 109.117  11
   4  -2  -4 73593.8 950.447   8
   4  -2  -4 72074.4 962.021   2
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   4  -2  -4 73046.2 1017.77  11
   4  -2  -4 72275.9 988.272   4
   4  -2  -3 63.6934 101.933   4
   4  -2  -3-78.3579 93.5899   8
   4  -2  -3 5.61778 79.6588   2
  -4   2   3-90.8665 79.3661  12
   4  -2  -3 33.4699 85.5212  11
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   4  -2  -2 115777. 1147.64  11
   4  -2  -2 116940. 1185.61  15
   4  -2  -2 115934. 1176.55   8
   4  -2  -2 117302. 1156.98   2
   4  -2  -2 118677. 1219.71   4
   4  -2  -1 388260. 1981.45  11
   4  -2  -1 385514. 2122.00  15
   4  -2  -1 394295. 2193.55   4
   4  -2   0 119848. 1170.46  15
  -4   2   0 122049. 1060.45  10
   4  -2   0 119974. 561.255   3
   4  -2   0 121804. 1211.12   4
  -4   2  -1 189111. 1282.70  10
   4  -2   1 184640. 1476.02  15
   4  -2   1 192209. 860.522   3
   4  -2   1 189302. 1512.51   4
  -4   2  -2 104954. 934.455  10
   4  -2   2 106043. 1130.13  15
   4  -2   2 106993. 756.210   3
   4  -2   2 102189. 1128.01   4
  -4   2  -3 143.279 73.3412  10
   4  -2   3 143.555 83.4741  15
  -4   2  -3-124.448 119.359  14
  -4   2  -3 83.3626 47.2623   6
   4  -2   3 16.3000 107.741   4
   4  -2   3 128.484 53.9217   3
   4  -2   4 26619.4 578.617   8
  -4   2  -4 25154.2 597.194  14
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   4  -2   4 25691.3 476.401   3
   4  -2   4 25329.5 577.520   4
  -4   2  -4 25407.9 470.672  10
   4  -2   5 3829.34 206.626   3
  -4   2  -5 4469.91 284.209  14
   4  -2   5 4018.63 236.839   8
   4  -2   5 4023.50 260.193   5
   4  -2   5 3934.67 257.460   4
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   4  -2   6 1629.87 194.694   5
   4  -2   6 1827.78 167.829   8
  -4   2  -6 1176.44 155.056  14
   4  -2   6 1678.80 162.339   3
  -4   2  -6 1537.98 151.362  10
   4  -2   7 970.141 133.912   8
   4  -2   7 459.964 109.446  12
   4  -2   7 796.048 135.124   3
   4  -2   7 401.229 145.045   5
  -4   2  -7 251.682 156.822  14
  -4   2  -7 782.450 128.049  10
   4  -2   8 21388.5 552.356   8
   4  -2   8 20986.6 587.320   3
  -4   2  -8 22133.4 499.622  11
   4  -2   8 21889.2 667.438   5
  -4   2  -8 21876.5 669.135  14
   4  -2   8 22232.8 575.488  12
  -4   2  -8 21710.2 529.000  10
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   4  -2   9 15022.9 472.621   8
   4  -2   9 15041.4 504.739  12
   4  -2   9 15017.5 582.848   5
  -4   2  -9 15549.4 446.860  11
   4  -2   9 16097.5 546.782   3
   4  -2  10 105506. 1246.08   8
   4  -2  10 105074. 1369.30  12
   4  -2  10 105577. 1457.78   3
   4  -2  10 105940. 1580.74   5
  -4   2 -10 106211. 1213.98  11
  -4   2 -10 105689. 1588.76  14
  -4   2 -11 2221.31 345.287  14
   4  -2  11 1961.96 238.232  12
   4  -2  11 1995.88 251.741   3
   4  -2  11 1664.27 271.408   5
  -4   2 -11 1756.79 187.518  11
   4  -2  11 1664.14 175.656   8
  -4   2 -12 11772.7 559.343   1
   4  -2  12 12664.2 566.668   3
   4  -2  12 11118.9 420.907   8
  -4   2 -12 12333.5 628.680  14
   4  -2  12 12770.1 545.845  12
   4  -2  12 12207.9 597.972   5
  -4   2 -12 11517.3 453.128  11
   4  -2  13 33109.2 947.017   3
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   4  -2  13 33034.9 898.512  12
   4  -2  13 32607.0 983.254   5
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   4  -2  13 32700.3 721.323   8
   4  -2  14 18072.5 768.846   5
   4  -2  14 15978.9 702.625   3
   4  -2  14 17158.0 694.537  12
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  -4   2 -14 16699.5 775.836  14
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   4  -2  15 7945.04 529.509   3
   4  -2  15 7694.63 483.139  12
   4  -2  15 8024.72 544.835   5
  -4   2 -15 7116.16 414.532  11
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   4  -2  16 4982.03 469.858   5
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   4  -2  16 4336.54 425.930   3
   4  -2  16 4579.49 409.128  12
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   4  -2  17 694.298 234.606   3
   4  -2  17 921.668 267.181  12
   4  -2  17 1096.02 278.410   5
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   4  -2  18 545.827 263.076   3
   4  -2  18 705.031 261.854  12
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   4   2  -7 29178.2 736.778  11
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   4   2  -6 33098.9 734.794   4
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   4   2  -6 34302.6 764.027  11
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   4   2  -5 14964.2 487.877  11
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   4   2  -3 157203. 1438.21  11
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   4   2  -1 208099. 1485.47   4
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   4   2  -1 206424. 1364.79   9
   4   2  -1 210695. 862.339   2
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   4   2   0 800554. 2554.68   9
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   4   2   2 21563.5 445.666   3
   4   2   2 21258.8 433.925   4
   4   2   3 21776.5 459.676   3
   4   2   3 22039.8 417.160   5
   4   2   3 21259.3 424.459   4
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   4   2   4 84109.0 944.626   3
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   4   2   5 4352.20 153.443  12
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   4   2   5 4513.22 244.617   3
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   4   2   6 136687. 965.559  12
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   4   2   6 134847. 631.130   6
   4   2   6 137209. 1063.80   4
   4   2   6 140277. 1349.70   3
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   4   2   7 897.649 64.1310   6
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   4   2   7 1038.33 114.261  12
   4   2   7 846.686 145.984   3
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   4   2   8 249975. 1608.03  12
   4   2   8 250690. 2014.16   3
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   4   2   9 7544.64 317.176  12
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   4   2  10 99830.9 1192.72  12
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   4   2  11 9191.98 392.749  12
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   4   2  11 8203.96 441.745   3
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   4   2  12 714.032 158.733  12
   4   2  12 440.649 178.077   3
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   4   2  14 7170.43 466.150   3
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   4   2  16 11646.0 642.366   3
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   4   2  17 9382.27 610.055   3
   4   2  17 10275.6 579.693  12
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   4   2  18 25185.3 1013.64   3
   4   2  18 22830.8 894.395  12
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   4   3 -17 14644.8 767.387  11
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   4   3 -16 541.591 191.057  11
   4   3 -15 8806.70 565.883  11
   4   3 -15 9452.83 565.758   4
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   4   3 -14 7396.25 482.939   4
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   4   3 -14 6559.84 471.229  11
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   4   3 -13 10389.1 553.527   4
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   4   3 -13 10711.0 573.568  11
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   4   8 -14 57861.0 1417.69   1
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   4   8 -13 1953.73 309.899   1
   4   8 -12 110674. 1872.11   1
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   4   8  -8 183226. 2188.35   1
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   6  -7   8 197723. 2517.00  15
   6  -7   8 194852. 2262.79   8
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   6  -7   8 203298. 1964.19   3
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   6  -6   4 14017.8 588.941   8
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   6  -6   4 13340.5 594.083  15
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   6  -6   5 142171. 1842.66   8
   6  -6   5 140860. 1289.60   3
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   6  -6   6 60220.8 1289.17  15
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   6  -6   6 59294.8 917.068   3
   6  -6   6 63410.7 1232.99   8
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   6  -6   7 173370. 1676.41   3
   6  -6   7 171217. 2206.95  15
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   6  -6   7 170901. 2032.38   8
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   6  -6   8 54785.7 1280.62  15
   6  -6   8 52878.5 1148.92   8
   6  -6   8 53657.7 999.389   3
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   6  -6   9 111568. 1870.22  15
   6  -6   9 112479. 1672.06   8
   6  -6   9 113458. 1539.07   3
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   6  -6  10 2745.18 323.983  15
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   6  -6  10 3056.10 309.231   8
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   6  -6  11 7709.26 447.890   8
   6  -6  11 7281.12 513.133  15
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   6  -6  12 657.419 178.522   8
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   6  -6  12 637.521 213.356   3
   6  -6  13 42270.8 1047.20   8
   6  -6  13 40732.9 1130.35   3
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   6  -6  13 42361.3 1278.13  15
   6  -6  14 1115.37 308.827  15
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   6  -6  14 611.443 242.924   3
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   6  -6  15 73173.3 1771.84  15
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   6  -6  15 71365.6 1618.52   3
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   6  -6  17 25394.3 1053.33   3
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   6  -5 -16-38.1543 183.886   7
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   6  -5 -11 550.768 198.140   9
   6  -5 -11 906.979 231.487   7
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   6  -5  -9 30481.7 998.034   7
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   6  -5  -7 3683.65 326.950   4
   6  -5  -6 157463. 2094.37   7
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   6  -5  -6 150649. 1875.49  11
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   6  -5   1 45359.4 1004.13   8
   6  -5   1 47339.9 1019.70  15
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   6  -5   1 46547.8 1021.04   4
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   6  -5   2 8595.37 454.829   8
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   6  -5   2 9837.61 490.838   4
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   6  -5   3 34024.7 491.111   3
   6  -5   3 34989.1 888.334   8
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   6  -5   3 35708.1 906.691   4
   6  -5   3 36086.9 914.180  15
   6  -5   4 128791. 1741.23  15
   6  -5   4 128355. 1686.22   8
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   6  -3  12 3134.23 325.742   3
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   6   1   6 92276.3 1248.84   5
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   6   1   8 127380. 1609.65   5
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   6   1   8 126411. 1124.58  12
   6   1   8 130076. 1542.29   3
   6   1   8 128682. 1398.25   4
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   6   1   9 10070.0 494.988   5
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   6   1   9 10493.0 474.019   3
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   6   1  10 2795.38 217.019  12
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   6   1  11 165.265 116.238  12
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   6   1  12 96840.2 1314.10  12
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   6   1  13 1627.81 214.489  12
   6   1  13 1356.87 245.702   3
   6   1  13 2234.42 316.110   5
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   6   1  14 24854.6 751.197  12
   6   1  14 24881.7 893.225   3
   6   1  14 25148.2 918.074   5
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   6   1  15 13725.7 712.436   5
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   7 -14   8 20980.9 1066.10  15
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   7 -13 -11 6548.37 637.224   7
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   7 -13  -8 13.7804 202.503   7
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   7 -13  -7 9452.28 707.969   7
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   7 -13  -5 12710.5 776.647   7
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   7 -13  -4 4161.46 508.012   2
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   7  -9  10 12370.1 743.549  15
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   7  -9  12 6114.30 565.039  15
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   7  -9  16 868.211 275.520  15
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   7  -6  14 2580.42 398.478  15
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   7  -6  16 835.386 280.928  15
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   7  -6  20 6155.28 614.803   3
   7  -5 -18 1622.09 343.027   9
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   7  -5 -15 5315.48 522.483   7
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   7  -5  -8 129009. 2092.09   7
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   7  -5   8 98175.4 1735.72  15
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   7  -5   8 96832.8 1336.20   3
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   7  -5  14 101895. 1713.62   8
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   7  -5  14 102512. 1856.68   3
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   7  -5  14 104068. 2074.72  15
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   7  -4 -12 16982.1 823.815   7
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   7  -4  -9 48872.6 1260.11  11
   7  -4  -9 49320.2 1182.15   4
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   7  -4  -7 66825.5 1444.74   7
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   7  -4  -4 133125. 1932.64   7
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   7  -4  -4 133462. 1726.52  11
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   7  -4  -3 23461.3 760.783   8
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   7  -4  -2 121840. 1708.41   8
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   7  -4   2 58704.3 1192.59   4
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   7  -4   3 764.466 210.496   4
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   7  -4   4 64474.6 1251.38  15
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   7  -4   4 66120.2 793.839   3
   7  -4   4 65630.3 1270.33   4
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   7  -4   5 57457.0 1201.26  15
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   7  -4   5 58448.9 822.555   3
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   7  -4  13 70783.4 1468.55   3
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   7  -4  14 11227.6 579.032   8
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   7  -3 -13 33918.4 1180.95  11
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   7  -3  -8 2720.41 321.008   7
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   7  -3  -5 34481.3 883.460   8
   7  -3  -5 32667.7 952.630   7
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   7  -3  -5 34660.1 918.755  11
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   7  -3  -4 14100.1 616.098   7
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   7  -3  -4 13976.1 591.315   4
   7  -3  -4 14376.6 580.861   8
   7  -3  -3 11638.8 518.512   8
   7  -3  -3 11019.5 481.528   2
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   7  -3  -3 10943.5 512.496   4
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   7  -3  -2 1874.55 238.333  15
   7  -3  -2 2194.10 251.422   8
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   7  17  10 29826.0 1149.90   6
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   7  17  11 472.414 244.191   3
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   8 -10  -6 67.1179 212.592   7
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   8 -10  -5 18808.3 864.582   4
   8 -10  -4 400.850 229.671   2
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   8 -10   4 5833.80 514.637  15
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   8 -10   5 2180.76 327.394  15
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   8 -10   7 9181.90 666.776  15
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   8 -10   8 153.394 231.231  15
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   8 -10   9 4283.15 480.781  15
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   8 -10  10 167.578 192.287  15
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   8 -10  12 1378.14 347.017  15
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   8 -10  13 3583.73 502.128  15
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   8 -10  14 684.747 292.779  15
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   8  -9 -14 4948.96 591.064   7
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   8  -9 -14 4707.10 533.655  11
   8  -9 -13 486.814 256.387   7
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   8  -9 -13-71.2110 214.477  11
   8  -9 -12 6066.67 604.243   7
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   8  -9 -12 6021.03 563.114  11
   8  -9 -11 2537.58 400.902   7
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   8  -9 -10 887.463 262.278   7
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   8  -9 -10 828.007 249.653  11
   8  -9 -10 1191.92 293.086   4
   8  -9  -9 3056.48 410.015   7
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   8  -9  -9 2737.22 369.029  11
   8  -9  -9 3265.06 397.978   4
   8  -9  -8 29845.5 1183.16   7
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   8  -9  -8 31714.8 1088.06   4
   8  -9  -7 1146.09 284.268   7
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   8  -9  -7 1044.69 296.662   4
   8  -9  -6 18764.6 914.365   7
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   8  -9  -6 18438.9 833.115   4
   8  -9  -5 1915.93 343.716   2
   8  -9  -5 1560.64 302.999   7
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   8  -9  -3 13860.6 751.569   2
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   8  -8   7 252.746 195.542  15
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   8  -7 -16 2465.55 417.952   7
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   8  -7 -13 9871.06 737.309   7
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   8  -7 -12 5057.79 534.821   7
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   8  -7 -11 17794.0 924.846   7
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   8  -7 -11 17459.6 862.114  11
   8  -7 -11 16839.8 787.950   4
   8  -7 -10 3701.90 460.861   7
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   8  -7 -10 3264.33 410.701  11
   8  -7 -10 3329.06 381.415   4
   8  -7  -9 63865.3 1664.44   7
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   8  -7  -9 64760.2 1530.50  11
   8  -7  -9 65067.9 1501.62   4
   8  -7  -8 2886.18 397.443   7
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   8  -7  -8 2744.88 344.214  11
   8  -7  -8 3372.90 392.061   4
   8  -7  -7 14155.5 772.067   7
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   8  -7  -7 14953.2 699.559  11
   8  -7  -7 14553.6 716.255   4
   8  -7  -6 8435.33 588.016   7
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   8  -7  -6 7962.01 500.638  11
   8  -7  -6 8846.54 558.945   4
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   8  -7  -5-98.5036 176.462   7
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   8  -7  -5 54.4829 139.601  11
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   8  -7  -4 1347.31 270.765   4
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   8  -7  -3 2410.17 327.425   4
   8  -7  -2 7414.90 517.092   2
   8  -7  -2 7024.27 499.755   4
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   8  -7   1 9117.03 572.715   4
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   8  -7   3 640.397 208.240  15
   8  -7   4 88.3901 148.119  15
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   8  -7   7 1573.15 274.685  15
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   8  -7   9 9158.72 582.819   8
   8  -7   9 10216.4 646.109  15
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   8  -7  10 4947.89 467.469  15
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   8  -7  11 7663.37 532.619   8
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   8  -7  12 2738.27 353.658   8
   8  -7  12 2814.14 399.634  15
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   8  -7  13 744.526 266.124  15
   8  -7  13 964.854 251.006   8
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   8  -7  14 13740.8 825.483  15
   8  -7  15 766.802 293.805  15
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  -8   7 -15 654.078 294.439   1
   8  -7  16 19264.2 1032.83  15
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   8  -7  17 2371.03 422.969  15
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   8  -6 -16-60.8530 191.729   7
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   8  -6 -16 223.256 265.889  11
   8  -6 -15 1372.59 329.875   7
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   8  -6 -15 1243.86 336.748  11
   8  -6 -14 123.775 213.169   7
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   8  -6 -14 552.709 314.387  11
   8  -6 -13 18723.7 970.538   7
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   8  -6 -13 17069.8 912.941  11
   8  -6 -12 33865.0 1268.25   7
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   8  -6 -12 30714.1 1172.13  11
   8  -6 -12 32201.2 1081.79   4
   8  -6 -11 4575.98 477.444   7
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   8  -6 -11 3820.13 438.238  11
   8  -6 -11 4121.34 412.571   4
   8  -6 -10 11296.6 712.543   7
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   8  -6 -10 11486.3 676.383  11
   8  -6 -10 12204.7 672.354   4
   8  -6  -9 7579.25 584.845   7
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   8  -6  -9 7714.23 550.508  11
   8  -6  -9 7496.22 530.575   4
   8  -6  -8 2746.20 376.494   7
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   8  -6  -8 2558.08 330.140  11
   8  -6  -8 2425.84 314.642   4
   8  -6  -7 744.014 230.413   7
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   8  -6  -7 633.242 206.484  11
   8  -6  -7 1166.47 251.464   4
   8  -6  -6 196.769 177.598   7
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   8  -6  -6 657.701 200.890  11
   8  -6  -6 661.070 234.654   4
   8  -6  -5 7541.72 508.693   2
   8  -6  -5 6494.45 505.962   7
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   8  -6  -5 7140.87 462.422  11
   8  -6  -5 8143.96 519.140   4
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   8  -6  -4 1720.09 271.392   2
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   8  -6  -4 1459.83 260.717   4
  -8   6   3-178.340 152.722  10
   8  -6  -3 116.105 158.670   2
  -8   6   3-102.840 128.851  12
   8  -6  -3-144.288 176.091   4
  -8   6   2 19263.1 646.316  10
   8  -6  -2 19961.6 777.675   2
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   8  -6  -2 19634.2 794.868   4
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   8  -6  -1 30229.8 976.697   8
   8  -6  -1 30734.9 971.787  15
   8  -6  -1 28864.1 936.845   2
   8  -6  -1 28710.6 952.524   4
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   8  -6   0 13131.9 642.997   8
   8  -6   0 12560.1 624.796  15
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   8  -6   0 13600.0 648.870   2
   8  -6   0 13580.2 665.967   4
   8  -6   1 56633.1 1302.74  15
   8  -6   1 60093.2 1364.35   8
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   8  -6   1 57619.6 1332.77   4
   8  -6   2 1357.64 247.132  15
   8  -6   2 1539.24 268.018   8
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   8  -6   2 2081.04 315.930   4
   8  -6   3 45388.7 1180.72   8
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   8  -6   3 44789.0 1186.39   4
   8  -6   3 45880.5 1188.77  15
   8  -6   4 16822.2 737.332  15
   8  -6   4 16779.1 728.390   8
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   8  -6   4 17634.1 764.901   4
   8  -6   5 36908.7 1103.43  15
   8  -6   5 37643.3 1089.29   8
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   8  -6   6 36234.8 1109.99  15
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   8  -6   6 38393.5 1103.07   8
   8  -6   7 168.060 183.386  15
   8  -6   7 213.947 198.435   8
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   8  -6   8 20992.3 867.504  15
   8  -6   8 21793.4 843.473   8
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   8  -6   9 1528.74 284.291  15
   8  -6   9 1331.95 259.660   8
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   8  -6  10 55.0230 184.628  15
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   8  -6  11 5888.45 508.285  15
   8  -6  11 5425.06 447.144   8
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  -8   6 -12-130.247 196.254   1
   8  -6  12-35.8295 179.264  15
   8  -6  12 523.454 191.620   8
  -8   6 -12-36.6927 223.234  14
   8  -6  13 6882.04 575.392  15
   8  -6  13 6458.77 491.814   8
  -8   6 -13 7275.21 628.753  14
  -8   6 -13 7603.40 624.499   1
   8  -6  14 881.123 271.308  15
  -8   6 -14 1028.98 322.197   1
  -8   6 -15 37281.5 1393.14   1
   8  -6  15 38136.3 1378.95  15
  -8   6 -15 39751.7 1488.47  14
   8  -6  16 12410.1 817.649  15
  -8   6 -16 12079.1 825.818   1
  -8   6 -16 13085.4 908.835  14
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  -8   6 -17 4573.54 545.199   1
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   8  -4  15 46720.7 1459.11  15
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   8  -3  -8 21313.6 845.023   9
   8  -3  -8 20570.9 851.622   7
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   8  -3  -7 701.397 222.262   7
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   8  -3  -6 707.726 193.430   4
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   8  -3  -5 1346.30 244.238   7
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   8  -3  -4 134.899 169.487   4
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   8  -3  -3 104205. 1635.89   8
   8  -3  -3 108132. 1565.88   2
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   8  -3  -3 104770. 1693.16   4
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   8  -3  -2 23498.2 790.021   8
   8  -3  -2 22808.8 720.581   2
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   8  -3  -1 52702.6 1118.63  15
   8  -3  -1 52330.4 1163.08   8
   8  -3  -1 52223.4 1085.88   2
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   8  -3  -1 52541.6 1185.25   4
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   8  -3   0 49718.8 1080.97  15
   8  -3   0 50891.6 1147.55   8
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   8  -3   0 50422.6 1161.04   4
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   8  -3   1 74025.2 1312.61  15
   8  -3   1 73175.8 1377.05   8
   8  -3   1 71638.8 1372.81   4
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   8  -3   2 4492.92 345.817  15
   8  -3   2 5020.48 391.404   8
   8  -3   2 5071.03 396.074   4
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   8  -3   3 101728. 1580.32  15
   8  -3   3 103348. 1646.33   8
  -8   3  -3 103695. 1642.14  14
   8  -3   3 100457. 1629.56   4
   8  -3   4 26076.9 815.918  15
   8  -3   4 26709.0 845.809   8
  -8   3  -4 27050.3 865.819  14
   8  -3   4 27128.4 850.944   4
  -8   3  -4 25847.7 693.906  10
   8  -3   5 112572. 1710.65  15
   8  -3   5 113592. 1741.67   8
  -8   3  -5 112454. 1757.46  14
   8  -3   5 112644. 1730.57   4
  -8   3  -5 114322. 1445.00  10
   8  -3   6 1364.26 244.627  15
   8  -3   6 1133.25 216.655   8
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   8  -1  17 35968.7 1239.57   3
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   8  -1  18 1549.59 355.782   3
   8  -1  18 1430.27 335.228   5
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   8   0   7 7030.53 419.947   4
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   8   0   9 9705.28 474.864   3
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   8   0  21 28859.9 1263.37   3
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   8   1 -16 18944.9 970.713   9
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   8   1 -16 19603.8 1016.60  11
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   8   1 -14 752.130 269.734   9
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   8   1 -11 19562.9 785.370   7
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   8   1  -8 17388.3 730.349   9
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   8   1  -8 17840.5 767.193  11
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   8   1  -6 2152.32 274.254   4
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   8   1  -4 15669.6 647.176   4
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   8   1   0 4365.69 340.345   4
   8   1   1 6278.80 301.087   3
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   8   1   1 5644.33 383.797   4
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   8   1   2 20368.5 684.874   8
   8   1   2 20159.6 572.131  15
   8   1   2 21431.0 687.819   4
   8   1   2 20174.8 530.078   3
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   8   1   3 2957.51 290.826   8
   8   1   3 2930.49 217.977   3
   8   1   3 2988.98 282.760   4
   8   1   3 3003.73 235.259  15
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   8   1   4 3133.37 243.894  15
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   8   1   4 3247.95 243.298   3
   8   1   4 3912.91 314.893   4
   8   1   5 28427.9 829.312   8
   8   1   5 27810.4 716.923  15
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   8   1   5 27510.9 679.353   3
   8   1   5 27527.1 771.060   4
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   8   1   6 2826.95 287.046   8
   8   1   6 3065.11 259.074  15
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   8   1   6 2858.15 247.643   3
   8   1   6 2573.69 262.829   4
   8   1   7 42958.2 953.483  15
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   8   1   7 42519.7 974.116   5
   8   1   7 43226.5 916.013   3
   8   1   7 43629.6 960.559   4
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   8   1   8 35337.6 894.040  15
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   8   1   8 36417.5 940.506   5
   8   1   8 34446.1 856.196   3
   8   1   8 34512.0 861.916   4
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   8   1   9 58898.7 1237.10   5
   8   1   9 59539.0 1168.30   3
   8   1   9 60575.2 1141.08   4
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   8   1   9 60387.1 1203.89  15
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   8   1  10 11341.5 547.197   3
   8   1  10 11542.9 582.684   5
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  -8  -1 -11 124548. 1947.14  14
   8   1  11 128869. 1855.18   3
   8   1  11 133371. 1982.77   5
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   8   1  12 313.806 181.183   8
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   8   1  12 2.69239 184.100   5
   8   1  12-142.793 164.881   3
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   8   1  13 27236.3 902.485   8
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   8   1  13 27748.0 984.794   5
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   8   1  14 35589.7 1037.85   8
   8   1  14 33708.0 1077.62   3
   8   1  14 32884.6 1104.66   5
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   8   1  15 9071.89 545.964   8
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   8   1  15 9540.66 607.069   3
   8   1  15 9539.95 630.261   5
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   8   1  16 4348.16 394.144   8
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   8   1  16 4198.72 444.575   3
   8   1  16 4784.10 489.914   5
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   8   1  17 1851.13 286.169   8
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   8   1  17 2002.91 351.679   3
   8   1  17 1609.59 353.503   5
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   8   1  18 4732.42 512.920   5
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   8   1  19 368.437 269.722   3
   8   1  19 88.2707 244.748   5
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   8   1  20 32313.6 1290.29   3
   8   1  20 32489.1 1338.69   5
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   8   1  21 655.457 344.825   3
   8   1  21 1444.75 412.432   5
   8   2 -18 4774.89 525.640   4
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   8   2 -18 5429.99 573.538  11
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   8   2 -17 8.87835 203.885   9
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   8   2 -17-178.329 267.965  11
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   8   2 -15 4196.33 476.622   9
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   8   2 -15 3660.62 446.881  11
   8   2 -14 551.836 256.997   4
   8   2 -14 493.660 201.954   9
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   8   2 -14 719.455 234.814  11
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   8   2 -13-228.405 241.568  11
   8   2 -12-16.3894 189.673   4
   8   2 -12-190.523 196.447   9
   8   2 -12-82.2691 140.536   7
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   8   2 -12-165.245 213.473  11
   8   2 -11 7645.29 539.409   4
   8   2 -11 7385.52 532.251   9
   8   2 -11 6040.50 427.404   7
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   8   2 -11 7336.94 547.416  11
   8   2 -10 857.724 246.044   4
   8   2 -10 588.918 209.568   9
   8   2 -10 564.535 158.596   7
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   8   2 -10 1019.41 256.313  11
   8   2  -9 45583.5 1197.11   4
   8   2  -9 46307.4 1210.33   9
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   8   2  -9 46408.1 1266.28  11
   8   2  -8 16335.1 711.947   4
   8   2  -8 17057.5 722.011   9
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   8   2  -7 14996.0 669.373   4
   8   2  -7 14291.1 647.298   9
   8   2  -7 14635.3 526.211   8
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   8   2  -5 6480.26 435.641   4
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   8   2  -4 22123.3 761.829   4
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   8   2  -3 3471.68 315.805   4
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   8   4   5 15374.0 458.184  15
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   8   4   8 3226.33 288.834   5
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   8   4   9 22589.3 725.866   5
   8   4   9 21656.4 618.147   4
   8   4   9 21648.3 749.205   3
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   8   4  10 1264.54 231.110   5
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   8   4  11 36885.7 1002.91   5
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   8   4  12 4753.65 407.282   5
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   8   4  13 67609.2 1481.00   3
   8   4  13 66911.1 1463.75   5
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   8   4  14 52077.3 1349.55   3
   8   4  14 51194.5 1333.21   5
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   8   4  15 22788.7 946.016   3
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   8   4  17 3405.27 424.845   3
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   8   8  -7 3786.22 409.060   4
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   8  13 -11 814.439 259.328   1
   8  13 -10 22781.4 1062.43   4
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   8  13  -9 148.195 249.218   1
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   8  13  12 778.564 221.475   3
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   9 -13  -4 16367.7 982.998   2
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   9 -13   2 26304.1 1204.07  15
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   9 -13   3-24.2099 256.476   2
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   9 -12  -4 24965.9 1162.39   2
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   9 -12  -3 26388.2 1182.25   2
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   9 -12  -1-305.298 278.641   2
   9 -12   0 843.348 298.680   2
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   9 -12   1 179.421 252.974   2
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   9 -12   2 42.3744 248.561   2
   9 -12   3 3678.19 470.501  15
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   9 -12   3 3601.55 489.594   2
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   9 -12   5 9933.17 772.241   2
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   9 -12   7-73.3550 259.644  15
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   9 -12   8 4724.58 537.404  15
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   9 -12   9 141.318 262.455  15
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   9 -11  -9 767.464 307.047   7
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   9 -11  -1-135.101 254.423   2
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   9 -11   0 20383.7 1009.41   2
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   9 -11   2 39681.4 1402.52   2
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   9 -11   3 684.608 271.670  15
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   9 -11   5 3347.71 444.789  15
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   9 -11   6 180.061 212.282  15
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   9 -11   8 3629.58 485.364  15
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   9 -11  10 743.800 312.772  15
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   9 -11  11 12164.4 846.011  15
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  15   2   3 852.962 302.633   4
 -15  -2  -4 1732.75 357.012  10
  15   2   4 1151.66 327.393   8
 -15  -2  -4 1370.76 350.830  14
  15   2   4 1097.17 280.075   4
 -15  -2  -5 216.317 218.902  10
  15   2   5 629.685 273.605   8
  15   2   5 554.394 245.659   4
  15   2   6 8069.07 668.260   4
 -15  -2  -6 7362.91 632.582  10
  15   2   7 51.2534 223.698   4
 -15  -2  -7-533.117 279.733  10
  15   2   8 812.019 274.395   4
  15   3  -2 316.995 200.240   8
 -15  -3   1 1248.42 344.023  10
  15   3  -1 2051.53 345.030   8
 -15  -3   0-87.7932 264.121  10
  15   3   0 74.9347 238.656   8
  15   3   0 619.721 265.830   4
 -15  -3  -1 361.281 239.221  10
  15   3   1 238.418 220.513   8
  15   3   1 306.993 282.168   4
 -15  -3  -2 2720.84 437.621  10
  15   3   2 2162.08 376.160   8
  15   3   2 2835.39 441.550   4
 -15  -3  -3 1315.03 324.444  10
  15   3   3 1724.03 329.333   8
 -15  -3  -3 2087.41 393.833  14
  15   3   3 2055.27 397.126   4
 -15  -3  -4 59.5114 269.809  10
  15   3   4-161.402 242.741   8
 -15  -3  -4-79.4464 305.536  14
  15   3   4 124.160 230.332   4
 -15  -3  -5 3798.40 476.231  10
  15   3   5 3420.24 464.255   8
 -15  -3  -5 3964.05 501.807  14
  15   3   5 3723.50 479.515   4
  15   3   6 787.868 268.799   8
 -15  -3  -6 443.504 266.991  14
  15   3   6 943.093 329.546   4
 -15  -3  -6 603.274 247.552  10
  15   3   7-25.4592 208.567   4
 -15  -3  -7-28.4706 272.020  10
 -15  -3  -8 277.517 226.323  10
 -15  -3  -9 4487.89 529.517  10
 -15  -3 -10 444.128 263.154  10
  15   4  -2 2082.68 350.490   8
 -15  -4   1 2080.22 432.516  10
  15   4  -1 1973.26 351.001   8
  15   4  -1 2054.35 394.055   4
 -15  -4   0 854.518 287.332  10
  15   4   0 718.562 252.574   8
  15   4   0 1001.41 322.347   4
 -15  -4  -1 4976.11 567.098  10
  15   4   1 5871.43 561.929   8
  15   4   1 4883.44 534.287   4
 -15  -4  -2 711.286 325.186  10
  15   4   2 785.149 299.622   8
  15   4   2 381.217 249.287   4
  15   4   3 6007.70 575.421   8
 -15  -4  -3 4521.48 521.182  14
  15   4   3 6362.13 590.122   4
 -15  -4  -3 5902.38 600.181  10
 -15  -4  -4 2186.88 399.027  10
  15   4   4 1554.45 334.322   8
 -15  -4  -4 1319.03 360.079  14
  15   4   4 1797.22 367.036   4
 -15  -4  -5 1213.66 307.525  10
  15   4   5 1508.91 329.660   8
 -15  -4  -5 1793.54 361.145  14
  15   4   5 1472.94 320.334   4
  15   4   6 2962.10 443.553   8
 -15  -4  -6 2626.98 454.473  14
  15   4   6 3464.79 458.877   4
 -15  -4  -6 2915.57 434.210  10
 -15  -4  -7 3100.06 450.074  14
 -15  -4  -7 3196.10 464.979  10
 -15  -4  -8 312.283 288.100  10
 -15  -4  -9 3660.15 481.583  10
  15   5  -1 52.3418 200.463   8
  15   5  -1 5.28346 206.803   4
 -15  -5   0 18899.4 1027.46  10
  15   5   0 19016.6 977.630   8
  15   5   0 19436.8 1021.88   4
 -15  -5  -1-106.549 243.951  10
  15   5   1 422.643 265.183   8
  15   5   1 248.177 239.986   4
  15   5   2 20278.4 1023.80   8
  15   5   2 19921.0 1013.22   4
 -15  -5  -2 21106.7 1077.19  10
 -15  -5  -3 720.580 336.755  10
  15   5   3 399.908 260.953   8
  15   5   3 452.486 262.370   4
  15   5   4 13619.0 864.214   8
 -15  -5  -4 14482.5 892.585  14
  15   5   4 14272.6 853.789   4
 -15  -5  -4 14091.7 901.254  10
  15   5   5 21618.6 1087.15   8
 -15  -5  -5 20955.1 1064.71  14
  15   5   5 22492.9 1051.85   4
 -15  -5  -5 21939.7 1093.47  10
  15   5   6 20223.4 1049.59   8
 -15  -5  -6 18218.3 990.476  14
  15   5   6 16516.3 898.955   4
 -15  -5  -6 18783.2 1008.83  10
 -15  -5  -7 12526.7 850.318  14
 -15  -5  -7 12878.5 853.953  10
 -15  -5  -8 6997.23 654.472  14
 -15  -5  -8 7170.25 651.106  10
  15   6  -1 295.988 208.031   8
  15   6  -1-138.462 259.460   4
  15   6   0 273.991 234.238   8
  15   6   0 159.734 245.525   4
 -15  -6  -1 2326.99 459.925  10
  15   6   1 1565.58 342.757   8
  15   6   1 2071.32 371.482   4
 -15  -6  -2 4785.70 557.223  10
  15   6   2 4214.08 497.505   8
  15   6   2 4764.73 534.236   4
 -15  -6  -3 2878.43 454.125  10
  15   6   3 3810.18 479.781   8
  15   6   3 3488.65 468.171   4
  15   6   4 8840.55 695.493   8
 -15  -6  -4 9081.64 731.937  14
  15   6   4 10197.5 718.173   4
 -15  -6  -4 10089.9 776.216  10
  15   6   5 11371.9 795.206   8
 -15  -6  -5 11056.9 782.875  14
  15   6   5 11402.8 754.688   4
 -15  -6  -5 10522.5 784.221  10
  15   6   6 11500.2 800.170   8
 -15  -6  -6 12613.0 835.883  14
 -15  -6  -6 11054.6 799.109  10
 -15  -6  -7 6135.79 589.712  14
 -15  -6  -7 6656.60 640.750  10
 -15  -6  -8 1145.84 342.152  14
 -15  -6  -9 256.953 283.799  14
  15   7  -1 2201.62 367.167   8
  15   7   0 4409.67 500.586   8
  15   7   0 4778.49 527.958   4
  15   7   1-152.920 207.274   8
  15   7   1 120.132 228.230   4
 -15  -7  -2 412.711 281.014  10
  15   7   2-179.305 216.371   8
  15   7   2-377.886 237.487   4
 -15  -7  -3 1664.68 393.123  10
  15   7   3 1075.59 297.019   8
  15   7   3 758.005 277.573   4
 -15  -7  -4 157.151 291.011  10
  15   7   4 374.217 244.174   8
 -15  -7  -4 101.784 248.653  14
  15   7   4 247.909 220.274   4
  15   7   5 9343.53 712.408   8
 -15  -7  -5 8243.16 677.638  14
 -15  -7  -5 8061.17 703.677  10
  15   7   6 2725.47 422.986   8
 -15  -7  -6 2037.04 402.592  14
 -15  -7  -6 2825.42 481.045  10
 -15  -7  -7 5436.10 580.920  14
 -15  -7  -8-149.409 272.512  14
 -15  -7  -9 182.631 243.992  14
  15   8   0 750.103 270.844   8
  15   8   0 241.240 261.402   4
  15   8   1 1807.60 362.994   8
  15   8   1 1967.74 373.214   4
  15   8   2 4426.45 497.636   8
  15   8   2 4665.25 495.712   4
  15   8   3 2286.04 383.990   8
  15   8   3 2269.26 375.864   4
  15   8   4 24155.2 1128.44   8
 -15  -8  -4 22840.1 1088.11  14
  15   8   5 589.646 293.931   8
 -15  -8  -5-114.663 261.287  14
 -15  -8  -6 26149.1 1154.29  14
 -15  -8  -7 195.632 276.609  14
 -15  -8  -8-476.844 304.022  14
  15   9   0 8861.31 674.895   8
  15   9   0 8683.63 701.162   4
  15   9   1 720.352 259.183   8
  15   9   1 473.267 285.866   4
  15   9   2 11725.2 772.353   8
  15   9   2 11705.9 781.448   4
  15   9   3 7251.09 640.605   8
  15   9   4 5656.03 570.477   8
 -15  -9  -4 5194.48 556.179  14
 -15  -9  -5 6027.69 581.371  14
  15  10   1 1590.83 336.595   8
  15  10   1 1096.02 327.727   4
  15  10   2 275.133 223.680   8
   0   0   0    0.00    0.00   0
TITL x2915 in P-1
REM P-1 (#2 in standard setting)
CELL 0.71073   9.828326  13.486880  15.162125  84.2312  82.2294  77.4879
ZERR    3.00   0.000178   0.000255   0.000321   0.0016   0.0016   0.0016
LATT  1
SFAC C H P
UNIT 96.00 216.00 30.00
TREF
HKLF 4
END

)
'Fri May 18 08:44:08 2018'
)
)
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
)
_computing_data_collection
)
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
)
_computing_cell_refinement
)
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
)
_computing_data_reduction
)
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
)
_cell_length_a                  9.82833(18)
_cell_length_b                  13.4869(2)
_cell_length_c                  15.1621(3)
_cell_angle_alpha               84.2312(16)
_cell_angle_beta                82.2294(16)
_cell_angle_gamma               77.4879(16)
_cell_volume                    1938.77(6)
_cell_measurement_temperature   130.00(14)
_cell_measurement_reflns_used   23310
_cell_measurement_theta_min     2.6660
_cell_measurement_theta_max     35.0270
_cell_oxdiff_length_a                  9.82833(18)
_cell_oxdiff_length_b                  13.4869(2)
_cell_oxdiff_length_c                  15.1621(3)
_cell_oxdiff_angle_alpha               84.2312(16)
_cell_oxdiff_angle_beta                82.2294(16)
_cell_oxdiff_angle_gamma               77.4879(16)
_cell_oxdiff_volume                    1938.77(6)
_cell_oxdiff_measurement_reflns_used   23310
_exptl_crystal_description                'plate'
_exptl_crystal_colour                     'clear colourless'
_exptl_crystal_size_max                            0.2500
_exptl_crystal_size_mid                            0.2000
_exptl_crystal_size_min                            0.1000
_exptl_absorpt_coefficient_mu                       0.000
_exptl_absorpt_correction_T_min                   0.96568
_exptl_absorpt_correction_T_max                   1.00000
_exptl_absorpt_correction_type            'multi-scan'
_exptl_absorpt_process_details
)
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
)
_diffrn_ambient_temperature 130.00(14)
_diffrn_ambient_environment 'N~2~'
_diffrn_source 'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe 'x-ray'
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_monochromator 'graphite'
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'Xcalibur, Sapphire3, Gemini'
_diffrn_detector 'CCD plate'
_diffrn_detector_type 'Sapphire3'
_diffrn_detector_area_resol_mean 16.3560
_diffrn_reflns_number 56900
_diffrn_reflns_av_R_equivalents 0.0187
_diffrn_reflns_av_sigmaI/netI 0.0281
_diffrn_reflns_limit_h_min -15
_diffrn_reflns_limit_h_max 15
_diffrn_reflns_limit_k_min -20
_diffrn_reflns_limit_k_max 21
_diffrn_reflns_limit_l_min -23
_diffrn_reflns_limit_l_max 24
_diffrn_reflns_theta_min 2.3681
_diffrn_reflns_theta_max 34.9071
_diffrn_measured_fraction_theta_max 0.9340
_diffrn_reflns_theta_full 33.0667
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_orient_matrix_UB_11      -0.0279236000
_diffrn_orient_matrix_UB_12      -0.0378116000
_diffrn_orient_matrix_UB_13       0.0281838000
_diffrn_orient_matrix_UB_21      -0.0280393000
_diffrn_orient_matrix_UB_22      -0.0138027000
_diffrn_orient_matrix_UB_23      -0.0366112000
_diffrn_orient_matrix_UB_31       0.0630435000
_diffrn_orient_matrix_UB_32      -0.0360236000
_diffrn_orient_matrix_UB_33      -0.0103276000
_diffrn_measurement_details
)
  1 omega   11.00   97.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410   57.0000    0.0000 86
  2 omega   47.00   73.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410  -99.0000  -30.0000 26
  3 omega  -37.00   97.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410    0.0000 -180.0000 134
  4 omega  -22.00   73.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410  -99.0000 -150.0000 95
  5 omega  -20.00    6.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410  -99.0000  -30.0000 26
  6 omega  -56.00   -8.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.4347  -77.0000   30.0000 48
  7 omega -111.00  -59.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.4347  179.0000    0.0000 52
  8 omega -105.00  -61.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.4347 -179.0000  150.0000 44
  9 omega  -88.00  -58.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.4347  179.0000   60.0000 30
 10 omega   10.00  100.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410   57.0000 -120.0000 90
 11 omega  -38.00   52.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410  -57.0000   90.0000 90
 12 omega    1.00  101.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410   77.0000  120.0000 100
 13 omega   34.00  107.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410  179.0000  120.0000 73
 14 omega    1.00   68.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       30.8410   77.0000  -60.0000 67
 15 omega -111.00  -56.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.4347 -179.0000 -150.0000 55
)
_diffrn_measurement_method '\w scans'
_symmetry_space_group_name_H-M_alt 'P -1'
_symmetry_space_group_name_H-M 'P -1'
_symmetry_cell_setting triclinic
_reflns_odcompleteness_completeness             99.96
_reflns_odcompleteness_theta            33.07
_reflns_odcompleteness_iscentric                1
_chemical_oxdiff_formula 'P10 C32 H72'
_chemical_formula_moiety                'C28 H63 P9'
_chemical_melting_point                 'Not measured'
_atom_sites_solution_primary            'dual'
_computing_structure_solution           'SHELXT 2014 (Sheldrick, 2014)'
_chemical_absolute_configuration        .
_refine_ls_hydrogen_treatment           refxyz
_atom_sites_solution_hydrogens          difmap
;
_shelx_hkl_checksum              32778
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
C1 C 0.63407(8) 0.49608(6) 0.80985(5) 0.01885(13) Uani 1 1 d . . . . .
C2 C 0.62661(10) 0.59288(7) 0.85665(7) 0.02695(17) Uani 1 1 d . . . . .
H2A H 0.603173 0.579741 0.921069 0.040 Uiso 1 1 calc R U . . .
H2B H 0.554235 0.647686 0.833753 0.040 Uiso 1 1 calc R U . . .
H2C H 0.717668 0.613158 0.845098 0.040 Uiso 1 1 calc R U . . .
C3 C 0.66788(10) 0.51568(8) 0.70920(6) 0.02747(17) Uani 1 1 d . . . . .
H3A H 0.593900 0.569379 0.686561 0.041 Uiso 1 1 calc R U . . .
H3B H 0.673435 0.453053 0.680043 0.041 Uiso 1 1 calc R U . . .
H3C H 0.758027 0.537192 0.696367 0.041 Uiso 1 1 calc R U . . .
C4 C 0.74656(9) 0.41038(7) 0.84556(7) 0.02767(18) Uani 1 1 d . . . . .
H4A H 0.838111 0.429804 0.832878 0.042 Uiso 1 1 calc R U . . .
H4B H 0.749631 0.348083 0.816518 0.042 Uiso 1 1 calc R U . . .
H4C H 0.724115 0.398266 0.910180 0.042 Uiso 1 1 calc R U . . .
C5 C 0.16919(9) 0.62882(6) 0.84788(5) 0.02044(14) Uani 1 1 d . . . . .
C6 C 0.11345(10) 0.56021(7) 0.92400(6) 0.02539(17) Uani 1 1 d . . . . .
H6A H 0.190313 0.525339 0.958000 0.038 Uiso 1 1 calc R U . . .
H6B H 0.073743 0.509644 0.899523 0.038 Uiso 1 1 calc R U . . .
H6C H 0.040429 0.601529 0.963412 0.038 Uiso 1 1 calc R U . . .
C7 C 0.23128(11) 0.70796(7) 0.88571(7) 0.03010(19) Uani 1 1 d . . . . .
H7A H 0.158701 0.748756 0.925767 0.045 Uiso 1 1 calc R U . . .
H7B H 0.265783 0.752551 0.836644 0.045 Uiso 1 1 calc R U . . .
H7C H 0.309140 0.673262 0.918964 0.045 Uiso 1 1 calc R U . . .
C8 C 0.04939(10) 0.68263(8) 0.79415(7) 0.0308(2) Uani 1 1 d . . . . .
H8A H -0.022749 0.725736 0.832730 0.046 Uiso 1 1 calc R U . . .
H8B H 0.008312 0.631676 0.771358 0.046 Uiso 1 1 calc R U . . .
H8C H 0.085967 0.724909 0.743993 0.046 Uiso 1 1 calc R U . . .
C9 C 0.22948(8) 0.43632(6) 0.61465(5) 0.01949(14) Uani 1 1 d . . . . .
C10 C 0.10316(10) 0.52163(9) 0.59770(7) 0.0323(2) Uani 1 1 d . . . . .
H10A H 0.118193 0.585595 0.616253 0.048 Uiso 1 1 calc R U . . .
H10B H 0.018303 0.504654 0.632039 0.048 Uiso 1 1 calc R U . . .
H10C H 0.092046 0.529307 0.533954 0.048 Uiso 1 1 calc R U . . .
C11 C 0.20521(14) 0.33440(8) 0.59107(7) 0.0372(2) Uani 1 1 d . . . . .
H11A H 0.196487 0.337552 0.527170 0.056 Uiso 1 1 calc R U . . .
H11B H 0.118851 0.320241 0.625549 0.056 Uiso 1 1 calc R U . . .
H11C H 0.284745 0.280093 0.605373 0.056 Uiso 1 1 calc R U . . .
C12 C 0.35982(9) 0.46110(7) 0.55842(5) 0.02380(16) Uani 1 1 d . . . . .
H12A H 0.345615 0.468189 0.495171 0.036 Uiso 1 1 calc R U . . .
H12B H 0.440716 0.406025 0.568337 0.036 Uiso 1 1 calc R U . . .
H12C H 0.377122 0.525040 0.575531 0.036 Uiso 1 1 calc R U . . .
C13 C 0.37093(8) 0.19073(6) 0.93873(5) 0.01701(13) Uani 1 1 d . . . . .
C14 C 0.24121(9) 0.27373(7) 0.96179(6) 0.02388(16) Uani 1 1 d . . . . .
H14A H 0.209742 0.266459 1.025809 0.036 Uiso 1 1 calc R U . . .
H14B H 0.166034 0.267072 0.927809 0.036 Uiso 1 1 calc R U . . .
H14C H 0.264764 0.340836 0.946509 0.036 Uiso 1 1 calc R U . . .
C15 C 0.49230(9) 0.20306(6) 0.98701(5) 0.02109(14) Uani 1 1 d . . . . .
H15A H 0.517643 0.268806 0.967188 0.032 Uiso 1 1 calc R U . . .
H15B H 0.573415 0.147976 0.973290 0.032 Uiso 1 1 calc R U . . .
H15C H 0.463723 0.200322 1.051542 0.032 Uiso 1 1 calc R U . . .
C16 C 0.33397(9) 0.08597(6) 0.96608(6) 0.02274(15) Uani 1 1 d . . . . .
H16A H 0.412644 0.032374 0.944952 0.034 Uiso 1 1 calc R U . . .
H16B H 0.250206 0.081495 0.939476 0.034 Uiso 1 1 calc R U . . .
H16C H 0.315509 0.077273 1.031248 0.034 Uiso 1 1 calc R U . . .
C17 C 0.93609(8) 0.08859(6) 0.80543(5) 0.01964(14) Uani 1 1 d . . . . .
C18 C 0.90288(10) 0.12727(8) 0.89905(6) 0.02888(18) Uani 1 1 d . . . . .
H18A H 0.981857 0.098958 0.933390 0.043 Uiso 1 1 calc R U . . .
H18B H 0.818206 0.105832 0.929250 0.043 Uiso 1 1 calc R U . . .
H18C H 0.887303 0.201785 0.894436 0.043 Uiso 1 1 calc R U . . .
C19 C 1.06615(9) 0.12351(9) 0.75630(7) 0.0320(2) Uani 1 1 d . . . . .
H19A H 1.050798 0.197936 0.754083 0.048 Uiso 1 1 calc R U . . .
H19B H 1.083263 0.101504 0.695397 0.048 Uiso 1 1 calc R U . . .
H19C H 1.147645 0.093448 0.787949 0.048 Uiso 1 1 calc R U . . .
C20 C 0.96277(10) -0.02738(7) 0.81314(7) 0.02662(17) Uani 1 1 d . . . . .
H20A H 1.042378 -0.054550 0.847210 0.040 Uiso 1 1 calc R U . . .
H20B H 0.984073 -0.052470 0.753326 0.040 Uiso 1 1 calc R U . . .
H20C H 0.879006 -0.049691 0.843828 0.040 Uiso 1 1 calc R U . . .
C21 C 0.80864(8) 0.15823(6) 0.52408(5) 0.01835(13) Uani 1 1 d . . . . .
C22 C 0.68602(10) 0.24939(7) 0.53189(6) 0.02570(17) Uani 1 1 d . . . . .
H22A H 0.692593 0.286988 0.582675 0.039 Uiso 1 1 calc R U . . .
H22B H 0.597462 0.225512 0.541032 0.039 Uiso 1 1 calc R U . . .
H22C H 0.689230 0.294257 0.476963 0.039 Uiso 1 1 calc R U . . .
C23 C 0.79885(10) 0.09988(7) 0.44447(6) 0.02496(16) Uani 1 1 d . . . . .
H23A H 0.794637 0.146361 0.390437 0.037 Uiso 1 1 calc R U . . .
H23B H 0.714031 0.071282 0.455480 0.037 Uiso 1 1 calc R U . . .
H23C H 0.881618 0.044639 0.436483 0.037 Uiso 1 1 calc R U . . .
C24 C 0.94778(10) 0.19399(7) 0.51193(7) 0.02855(18) Uani 1 1 d . . . . .
H24A H 1.025757 0.134798 0.507938 0.043 Uiso 1 1 calc R U . . .
H24B H 0.953203 0.231453 0.563047 0.043 Uiso 1 1 calc R U . . .
H24C H 0.953580 0.238643 0.457018 0.043 Uiso 1 1 calc R U . . .
C25 C 0.60274(8) -0.09541(6) 0.66912(5) 0.01921(14) Uani 1 1 d . . . . .
C26 C 0.61695(10) -0.12811(7) 0.57394(6) 0.02677(17) Uani 1 1 d . . . . .
H26A H 0.612763 -0.200259 0.576047 0.040 Uiso 1 1 calc R U . . .
H26B H 0.706998 -0.117842 0.542019 0.040 Uiso 1 1 calc R U . . .
H26C H 0.540184 -0.087151 0.542809 0.040 Uiso 1 1 calc R U . . .
C27 C 0.46181(10) -0.10950(7) 0.72017(6) 0.02661(17) Uani 1 1 d . . . . .
H27A H 0.385068 -0.066390 0.690372 0.040 Uiso 1 1 calc R U . . .
H27B H 0.455552 -0.090116 0.781404 0.040 Uiso 1 1 calc R U . . .
H27C H 0.454683 -0.180994 0.721394 0.040 Uiso 1 1 calc R U . . .
C28 C 0.72266(10) -0.15906(6) 0.71744(7) 0.02675(17) Uani 1 1 d . . . . .
H28A H 0.712643 -0.139089 0.778744 0.040 Uiso 1 1 calc R U . . .
H28B H 0.812494 -0.147591 0.686078 0.040 Uiso 1 1 calc R U . . .
H28C H 0.719815 -0.231363 0.718504 0.040 Uiso 1 1 calc R U . . .
P1 P 0.46066(2) 0.45641(2) 0.84692(2) 0.01557(4) Uani 1 1 d . . . . .
P2 P 0.31192(2) 0.56150(2) 0.76470(2) 0.01580(4) Uani 1 1 d . . . . .
P3 P 0.23782(2) 0.42381(2) 0.73904(2) 0.01514(4) Uani 1 1 d . . . . .
P4 P 0.45631(2) 0.34066(2) 0.75176(2) 0.01414(4) Uani 1 1 d . . . . .
P5 P 0.41150(2) 0.19464(2) 0.81340(2) 0.01387(4) Uani 1 1 d . . . . .
P6 P 0.60993(2) 0.08045(2) 0.79564(2) 0.01452(4) Uani 1 1 d . . . . .
P7 P 0.78681(2) 0.15530(2) 0.73957(2) 0.01581(4) Uani 1 1 d . . . . .
P8 P 0.81596(2) 0.06188(2) 0.62364(2) 0.01568(4) Uani 1 1 d . . . . .
P9 P 0.59447(2) 0.04657(2) 0.65803(2) 0.01531(4) 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
C1 0.0180(3) 0.0190(3) 0.0207(3) -0.0030(3) -0.0029(3) -0.0053(3)
C2 0.0282(4) 0.0208(4) 0.0342(4) -0.0066(3) -0.0029(3) -0.0085(3)
C3 0.0226(4) 0.0369(5) 0.0241(4) -0.0018(3) 0.0026(3) -0.0124(3)
C4 0.0218(4) 0.0247(4) 0.0378(5) -0.0051(4) -0.0105(3) -0.0019(3)
C5 0.0211(3) 0.0160(3) 0.0208(3) -0.0018(3) 0.0024(3) 0.0008(3)
C6 0.0257(4) 0.0221(4) 0.0234(4) -0.0012(3) 0.0077(3) -0.0008(3)
C7 0.0367(5) 0.0223(4) 0.0300(4) -0.0104(3) 0.0060(4) -0.0055(4)
C8 0.0253(4) 0.0297(4) 0.0295(4) 0.0006(4) 0.0005(3) 0.0080(3)
C9 0.0209(3) 0.0216(3) 0.0166(3) 0.0005(3) -0.0053(3) -0.0048(3)
C10 0.0225(4) 0.0433(5) 0.0276(4) 0.0055(4) -0.0099(3) 0.0011(4)
C11 0.0587(7) 0.0348(5) 0.0262(4) -0.0038(4) -0.0101(4) -0.0236(5)
C12 0.0247(4) 0.0286(4) 0.0158(3) 0.0029(3) -0.0009(3) -0.0035(3)
C13 0.0167(3) 0.0166(3) 0.0158(3) 0.0004(2) 0.0008(2) -0.0014(2)
C14 0.0216(4) 0.0238(4) 0.0208(3) -0.0003(3) 0.0046(3) 0.0023(3)
C15 0.0244(4) 0.0219(3) 0.0167(3) -0.0011(3) -0.0036(3) -0.0036(3)
C16 0.0228(4) 0.0216(4) 0.0224(4) 0.0047(3) -0.0002(3) -0.0060(3)
C17 0.0151(3) 0.0229(4) 0.0214(3) -0.0009(3) -0.0048(3) -0.0034(3)
C18 0.0277(4) 0.0346(5) 0.0239(4) -0.0051(3) -0.0100(3) 0.0002(4)
C19 0.0186(4) 0.0448(6) 0.0343(5) 0.0049(4) -0.0066(3) -0.0118(4)
C20 0.0235(4) 0.0224(4) 0.0327(4) -0.0003(3) -0.0102(3) 0.0017(3)
C21 0.0180(3) 0.0176(3) 0.0176(3) 0.0011(3) 0.0006(2) -0.0024(3)
C22 0.0272(4) 0.0197(4) 0.0248(4) 0.0030(3) 0.0008(3) 0.0025(3)
C23 0.0269(4) 0.0285(4) 0.0179(3) -0.0021(3) -0.0011(3) -0.0030(3)
C24 0.0249(4) 0.0279(4) 0.0331(4) 0.0064(4) -0.0016(3) -0.0109(3)
C25 0.0207(3) 0.0165(3) 0.0216(3) -0.0029(3) -0.0016(3) -0.0061(3)
C26 0.0304(4) 0.0254(4) 0.0266(4) -0.0096(3) -0.0003(3) -0.0085(3)
C27 0.0266(4) 0.0281(4) 0.0276(4) -0.0023(3) 0.0010(3) -0.0136(3)
C28 0.0292(4) 0.0163(3) 0.0350(5) 0.0010(3) -0.0082(3) -0.0039(3)
P1 0.01716(8) 0.01523(8) 0.01407(8) -0.00099(6) -0.00128(6) -0.00319(6)
P2 0.01621(8) 0.01381(8) 0.01581(8) -0.00047(6) 0.00038(6) -0.00138(6)
P3 0.01399(8) 0.01536(8) 0.01513(8) 0.00050(6) -0.00084(6) -0.00220(6)
P4 0.01417(8) 0.01366(8) 0.01371(8) -0.00046(6) -0.00090(6) -0.00165(6)
P5 0.01291(7) 0.01328(8) 0.01485(8) -0.00058(6) -0.00136(6) -0.00178(6)
P6 0.01424(8) 0.01378(8) 0.01466(8) -0.00110(6) -0.00181(6) -0.00087(6)
P7 0.01491(8) 0.01479(8) 0.01787(8) -0.00167(6) -0.00324(6) -0.00231(6)
P8 0.01493(8) 0.01448(8) 0.01645(8) -0.00097(6) -0.00047(6) -0.00141(6)
P9 0.01537(8) 0.01525(8) 0.01529(8) -0.00146(6) -0.00220(6) -0.00266(6)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C3 C1 C4 109.97(7) . . ?
C3 C1 C2 110.20(7) . . ?
C4 C1 C2 109.62(7) . . ?
C3 C1 P1 115.16(6) . . ?
C4 C1 P1 106.02(6) . . ?
C2 C1 P1 105.65(6) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C7 109.70(7) . . ?
C6 C5 C8 109.52(7) . . ?
C7 C5 C8 109.74(8) . . ?
C6 C5 P2 115.31(5) . . ?
C7 C5 P2 106.35(6) . . ?
C8 C5 P2 106.06(6) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 C9 C11 109.80(8) . . ?
C12 C9 C10 109.23(7) . . ?
C11 C9 C10 110.55(8) . . ?
C12 C9 P3 114.82(6) . . ?
C11 C9 P3 106.03(6) . . ?
C10 C9 P3 106.33(6) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C14 110.46(7) . . ?
C15 C13 C16 110.15(6) . . ?
C14 C13 C16 108.93(7) . . ?
C15 C13 P5 114.04(5) . . ?
C14 C13 P5 108.11(5) . . ?
C16 C13 P5 104.90(5) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C20 C17 C18 109.20(7) . . ?
C20 C17 C19 109.49(7) . . ?
C18 C17 C19 110.26(8) . . ?
C20 C17 P7 115.63(6) . . ?
C18 C17 P7 107.22(5) . . ?
C19 C17 P7 104.91(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C24 110.16(7) . . ?
C22 C21 C23 109.47(7) . . ?
C24 C21 C23 109.92(7) . . ?
C22 C21 P8 115.08(5) . . ?
C24 C21 P8 106.28(6) . . ?
C23 C21 P8 105.77(6) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C28 C25 C26 109.41(7) . . ?
C28 C25 C27 109.67(7) . . ?
C26 C25 C27 110.51(7) . . ?
C28 C25 P9 115.40(6) . . ?
C26 C25 P9 106.16(6) . . ?
C27 C25 P9 105.57(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 P1 P2 103.78(3) . . ?
C1 P1 P4 103.60(3) . . ?
P2 P1 P4 85.253(10) . . ?
C5 P2 P3 104.53(3) . . ?
C5 P2 P1 105.16(3) . . ?
P3 P2 P1 86.040(10) . . ?
C9 P3 P4 103.30(3) . . ?
C9 P3 P2 104.10(3) . . ?
P4 P3 P2 85.729(10) . . ?
P5 P4 P3 98.833(11) . . ?
P5 P4 P1 115.623(11) . . ?
P3 P4 P1 85.654(10) . . ?
C13 P5 P4 113.97(3) . . ?
C13 P5 P6 102.11(2) . . ?
P4 P5 P6 106.832(11) . . ?
P5 P6 P9 97.254(10) . . ?
P5 P6 P7 110.560(11) . . ?
P9 P6 P7 87.697(10) . . ?
C17 P7 P8 102.85(3) . . ?
C17 P7 P6 103.97(3) . . ?
P8 P7 P6 87.585(10) . . ?
C21 P8 P7 104.05(3) . . ?
C21 P8 P9 103.38(3) . . ?
P7 P8 P9 87.775(10) . . ?
C25 P9 P6 102.91(3) . . ?
C25 P9 P8 104.61(3) . . ?
P6 P9 P8 87.873(10) . . ?
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
C1 C3 1.5260(12) . ?
C1 C4 1.5278(12) . ?
C1 C2 1.5310(12) . ?
C1 P1 1.8927(8) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.5238(12) . ?
C5 C7 1.5299(13) . ?
C5 C8 1.5321(12) . ?
C5 P2 1.8928(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C12 1.5206(12) . ?
C9 C11 1.5290(13) . ?
C9 C10 1.5294(12) . ?
C9 P3 1.8879(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.5274(11) . ?
C13 C14 1.5299(11) . ?
C13 C16 1.5376(11) . ?
C13 P5 1.8859(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C20 1.5240(12) . ?
C17 C18 1.5307(12) . ?
C17 C19 1.5309(12) . ?
C17 P7 1.8982(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.5254(11) . ?
C21 C24 1.5285(12) . ?
C21 C23 1.5299(12) . ?
C21 P8 1.8886(8) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C28 1.5269(12) . ?
C25 C26 1.5308(12) . ?
C25 C27 1.5325(12) . ?
C25 P9 1.8903(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
P1 P2 2.2226(3) . ?
P1 P4 2.2402(3) . ?
P2 P3 2.2222(3) . ?
P3 P4 2.2206(3) . ?
P4 P5 2.2001(3) . ?
P5 P6 2.2108(3) . ?
P6 P9 2.2119(3) . ?
P6 P7 2.2254(3) . ?
P7 P8 2.2161(3) . ?
P8 P9 2.2180(3) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C1 P1 P2 -43.92(7) . . . . ?
C4 C1 P1 P2 -165.75(5) . . . . ?
C2 C1 P1 P2 77.94(6) . . . . ?
C3 C1 P1 P4 44.46(7) . . . . ?
C4 C1 P1 P4 -77.38(6) . . . . ?
C2 C1 P1 P4 166.31(5) . . . . ?
C6 C5 P2 P3 43.94(7) . . . . ?
C7 C5 P2 P3 165.76(5) . . . . ?
C8 C5 P2 P3 -77.45(6) . . . . ?
C6 C5 P2 P1 -45.85(7) . . . . ?
C7 C5 P2 P1 75.97(6) . . . . ?
C8 C5 P2 P1 -167.24(6) . . . . ?
C12 C9 P3 P4 -40.43(6) . . . . ?
C11 C9 P3 P4 80.98(7) . . . . ?
C10 C9 P3 P4 -161.33(6) . . . . ?
C12 C9 P3 P2 48.45(6) . . . . ?
C11 C9 P3 P2 169.86(6) . . . . ?
C10 C9 P3 P2 -72.45(6) . . . . ?
C15 C13 P5 P4 -63.03(6) . . . . ?
C14 C13 P5 P4 60.26(6) . . . . ?
C16 C13 P5 P4 176.37(4) . . . . ?
C15 C13 P5 P6 51.78(6) . . . . ?
C14 C13 P5 P6 175.06(5) . . . . ?
C16 C13 P5 P6 -68.83(5) . . . . ?
C20 C17 P7 P8 -42.18(7) . . . . ?
C18 C17 P7 P8 -164.22(6) . . . . ?
C19 C17 P7 P8 78.53(6) . . . . ?
C20 C17 P7 P6 48.52(7) . . . . ?
C18 C17 P7 P6 -73.53(6) . . . . ?
C19 C17 P7 P6 169.23(6) . . . . ?
C22 C21 P8 P7 -48.03(7) . . . . ?
C24 C21 P8 P7 74.18(6) . . . . ?
C23 C21 P8 P7 -169.00(5) . . . . ?
C22 C21 P8 P9 43.02(7) . . . . ?
C24 C21 P8 P9 165.24(5) . . . . ?
C23 C21 P8 P9 -77.95(5) . . . . ?
C28 C25 P9 P6 -49.56(7) . . . . ?
C26 C25 P9 P6 -170.94(5) . . . . ?
C27 C25 P9 P6 71.71(6) . . . . ?
C28 C25 P9 P8 41.61(7) . . . . ?
C26 C25 P9 P8 -79.77(6) . . . . ?
C27 C25 P9 P8 162.88(5) . . . . ?
