#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:06:40 +0200 (Mon, 07 Nov 2022) $
#$Revision: 278960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/08/7130863.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_7130863
loop_
_publ_author_name
'Stefanowska, Kinga'
'Sokolnicki, Tomasz'
'Walkowiak, Jędrzej'
'Czapik, Agnieszka'
'Franczyk, Adrian'
_publ_section_title
;
 Directed cis-hydrosilylation of borylalkynes to borylsilylalkenes.
;
_journal_issue                   86
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12046
_journal_page_last               12049
_journal_paper_doi               10.1039/d2cc04318a
_journal_volume                  58
_journal_year                    2022
_chemical_formula_moiety         'C26 H29 B O2 Si'
_chemical_formula_sum            'C26 H29 B O2 Si'
_chemical_formula_weight         412.39
_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     difmap
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2022-07-06 deposited with the CCDC.	2022-09-23 downloaded from the CCDC.
;
_cell_angle_alpha                71.204(2)
_cell_angle_beta                 84.767(2)
_cell_angle_gamma                87.048(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0492(2)
_cell_length_b                   10.2286(3)
_cell_length_c                   13.2850(3)
_cell_measurement_reflns_used    3608
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      48.6780
_cell_measurement_theta_min      3.5190
_cell_volume                     1158.92(5)
_computing_cell_refinement       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.5384
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29645
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.435
_diffrn_reflns_theta_min         3.525
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.120a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_description       plank
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4823
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0374P)²+0.4398P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0867
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4398
_reflns_number_total             4823
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc04318a2.cif
_cod_data_source_block           'DATA_IV'
_cod_depositor_comments
'Adding full bibliography for 7130861--7130865.cif.'
_cod_original_cell_volume        1158.91(5)
_cod_database_code               7130863
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.783
_shelx_estimated_absorpt_t_max   0.922
_shelx_res_file
;
TITL DATA_IV.res in P-1
    DATA_IV.res
    created by SHELXL-2019/2 at 11:42:11 on 06-Jul-2022
REM Formula found by SHELXT: C26 O3 Cl
CELL 1.54184 9.049175 10.228559 13.285004 71.2042 84.7666 87.0482
ZERR 2 0.000228 0.000275 0.000348 0.0024 0.0021 0.0021
LATT 1
SFAC C H B O Si
UNIT 52 58 2 4 2

L.S. 10 0 0
PLAN  5
SIZE 0.25 0.08 0.08
TEMP -143.15
CONF
list 4
MORE -1
BOND $H
HTAB
fmap 2 53
ACTA

WGHT    0.037400    0.439800
FVAR       9.37784
SI1   5    0.632855    0.681398    0.609994    11.00000    0.01980    0.02010 =
         0.01868   -0.00498   -0.00170    0.00130
O1    4    0.654762    0.457134    0.864314    11.00000    0.02912    0.02477 =
         0.01963   -0.00475   -0.00145    0.00760
O2    4    0.828738    0.313448    0.816632    11.00000    0.03883    0.03013 =
         0.02017   -0.00636   -0.00320    0.01472
C1    1    0.716167    0.502637    0.662018    11.00000    0.02188    0.02261 =
         0.02205   -0.00604   -0.00250    0.00134
C2    1    0.759117    0.431593    0.595053    11.00000    0.05062    0.02840 =
         0.02444   -0.00842   -0.00641    0.00998
AFIX  93
H2A   2    0.796986    0.339643    0.622053    11.00000   -1.20000
H2B   2    0.751704    0.473167    0.520569    11.00000   -1.20000
AFIX   0
C3    1    0.681804    0.345427    0.962765    11.00000    0.03302    0.02616 =
         0.02028   -0.00392   -0.00169    0.00638
C4    1    0.832863    0.283700    0.931433    11.00000    0.04123    0.03337 =
         0.01968   -0.00527   -0.00395    0.01554
C5    1    0.553715    0.247331    0.984181    11.00000    0.04909    0.04062 =
         0.03397   -0.00591    0.00598   -0.00964
AFIX 137
H5A   2    0.459594    0.298470    0.986714    11.00000   -1.50000
H5B   2    0.562804    0.174368    1.052616    11.00000   -1.50000
H5C   2    0.556102    0.205861    0.927033    11.00000   -1.50000
AFIX   0
C6    1    0.685009    0.405709    1.052732    11.00000    0.04225    0.04225 =
         0.02259   -0.01185   -0.00333    0.01161
AFIX 137
H6A   2    0.753100    0.483119    1.030940    11.00000   -1.50000
H6B   2    0.718927    0.334488    1.115975    11.00000   -1.50000
H6C   2    0.585077    0.438537    1.069512    11.00000   -1.50000
AFIX   0
C7    1    0.966398    0.356974    0.947344    11.00000    0.03399    0.07513 =
         0.03246   -0.01720   -0.00787    0.01239
AFIX 137
H7A   2    1.056237    0.325447    0.914007    11.00000   -1.50000
H7B   2    0.976404    0.335816    1.023822    11.00000   -1.50000
H7C   2    0.952683    0.456921    0.914464    11.00000   -1.50000
AFIX   0
C8    1    0.852150    0.129118    0.982500    11.00000    0.08958    0.03855 =
         0.03011   -0.00042   -0.00325    0.03445
AFIX 137
H8A   2    0.771169    0.082104    0.965111    11.00000   -1.50000
H8B   2    0.850426    0.106979    1.060065    11.00000   -1.50000
H8C   2    0.947338    0.098222    0.955377    11.00000   -1.50000
AFIX   0
C9    1    0.657522    0.742775    0.460018    11.00000    0.02553    0.02028 =
         0.02275   -0.00575   -0.00144   -0.00119
C10   1    0.796858    0.738061    0.405235    11.00000    0.02683    0.03250 =
         0.02775   -0.00993    0.00050   -0.00458
AFIX  43
H10   2    0.880783    0.704156    0.444874    11.00000   -1.20000
AFIX   0
C11   1    0.815093    0.781637    0.294734    11.00000    0.03666    0.03753 =
         0.02986   -0.01260    0.00941   -0.01276
AFIX  43
H11   2    0.910325    0.776607    0.259432    11.00000   -1.20000
AFIX   0
C12   1    0.693576    0.832638    0.235934    11.00000    0.05372    0.03663 =
         0.01982   -0.00508    0.00162   -0.00891
AFIX  43
H12   2    0.705449    0.862150    0.160215    11.00000   -1.20000
AFIX   0
C13   1    0.555341    0.840500    0.287494    11.00000    0.04576    0.03642 =
         0.02605   -0.00507   -0.00963    0.00422
AFIX  43
H13   2    0.472452    0.876641    0.247239    11.00000   -1.20000
AFIX   0
C14   1    0.537588    0.795428    0.398476    11.00000    0.03034    0.02812 =
         0.02468   -0.00612   -0.00356    0.00341
AFIX  43
H14   2    0.441908    0.800567    0.433125    11.00000   -1.20000
AFIX   0
C15   1    0.722986    0.807862    0.659980    11.00000    0.01929    0.02169 =
         0.02603   -0.00782   -0.00233    0.00246
C16   1    0.716119    0.790844    0.769293    11.00000    0.02900    0.02669 =
         0.02781   -0.00959   -0.00055   -0.00154
AFIX  43
H16   2    0.669513    0.712018    0.818724    11.00000   -1.20000
AFIX   0
C17   1    0.776163    0.887040    0.806757    11.00000    0.03444    0.03727 =
         0.03226   -0.01728   -0.00290   -0.00150
AFIX  43
H17   2    0.771416    0.873026    0.881220    11.00000   -1.20000
AFIX   0
C18   1    0.843071    1.003591    0.735472    11.00000    0.03024    0.03412 =
         0.04661   -0.02228   -0.00154   -0.00433
AFIX  43
H18   2    0.883231    1.069901    0.760955    11.00000   -1.20000
AFIX   0
C19   1    0.851057    1.022840    0.627067    11.00000    0.03055    0.02619 =
         0.04182   -0.01052    0.00227   -0.00478
AFIX  43
H19   2    0.897039    1.102332    0.578051    11.00000   -1.20000
AFIX   0
C20   1    0.791766    0.925803    0.589932    11.00000    0.02623    0.02545 =
         0.02919   -0.00686   -0.00115    0.00067
AFIX  43
H20   2    0.798117    0.939928    0.515415    11.00000   -1.20000
AFIX   0
C21   1    0.429736    0.685564    0.651849    11.00000    0.02230    0.02635 =
         0.01719   -0.00463   -0.00224    0.00200
C22   1    0.339713    0.571663    0.671460    11.00000    0.02749    0.03045 =
         0.02466   -0.01047   -0.00046   -0.00186
AFIX  43
H22   2    0.383353    0.485852    0.669734    11.00000   -1.20000
AFIX   0
C23   1    0.187162    0.582089    0.693468    11.00000    0.02657    0.04551 =
         0.03100   -0.01368    0.00071   -0.00876
AFIX  43
H23   2    0.127438    0.503841    0.706043    11.00000   -1.20000
AFIX   0
C24   1    0.121927    0.706339    0.697120    11.00000    0.02016    0.05452 =
         0.02747   -0.00763   -0.00160    0.00601
AFIX  43
H24   2    0.017596    0.713433    0.711622    11.00000   -1.20000
AFIX   0
C25   1    0.209222    0.820011    0.679581    11.00000    0.03053    0.03603 =
         0.03070   -0.00278   -0.00028    0.01261
AFIX  43
H25   2    0.165076    0.904919    0.683026    11.00000   -1.20000
AFIX   0
C26   1    0.361022    0.809738    0.657003    11.00000    0.02880    0.02542 =
         0.02853   -0.00304   -0.00030    0.00383
AFIX  43
H26   2    0.419942    0.888428    0.644734    11.00000   -1.20000
AFIX   0
B1    3    0.733038    0.424802    0.782273    11.00000    0.02387    0.02151 =
         0.02274   -0.00684   -0.00221    0.00299
HKLF 4




REM  DATA_IV.res in P-1
REM wR2 = 0.0867, GooF = S = 1.051, Restrained GooF = 1.051 for all data
REM R1 = 0.0333 for 4398 Fo > 4sig(Fo) and 0.0368 for all 4823 data
REM 275 parameters refined using 0 restraints

END

WGHT      0.0374      0.4398

REM Instructions for potential hydrogen bonds
EQIV $1 -x+1, -y+1, -z+2
HTAB C6 O1_$1

REM Highest difference peak  0.325,  deepest hole -0.268,  1-sigma level  0.037
Q1    1   0.6790  0.7566  0.6376  11.00000  0.05    0.33
Q2    1   0.7188  0.4627  0.7194  11.00000  0.05    0.30
Q3    1   0.6471  0.7181  0.5252  11.00000  0.05    0.29
Q4    1   0.5114  0.6821  0.6328  11.00000  0.05    0.25
Q5    1   0.6855  0.5770  0.6424  11.00000  0.05    0.23
;
_shelx_res_checksum              15058
_shelx_hkl_file
;
   0   0  -1 64202.4 626.210   1
   0   0   1 67412.7 475.145   5
   0   0  -2 84570.4 955.247  10
   0   0   2 86994.3 1008.55   2
   0   0  -2 85821.4 1036.92   1
   0   0   2 83905.2 759.485   5
   0   0   3 922641. 3055.02   5
   0   0  -3 937719. 4183.47   1
   0   0   3 937532. 4082.41   2
   0   0  -3 925979. 3900.37  10
   0   0   4 46043.0 1073.91   2
   0   0   4 44232.5 855.143  14
   0   0   4 44050.6 761.649   5
   0   0   4 44590.1 1043.66  13
   0   0  -4 42783.8 985.003  10
   0   0   5 71489.3 1385.21  56
   0   0  -5 72541.8 1540.46  59
   0   0   5 72896.2 1234.13  14
   0   0   5 70052.4 1074.89   5
   0   0  -5 69064.1 1429.89  10
   0   0   5 68727.3 1481.12  13
   0   0  -6 3481.43 305.461  54
   0   0  -6 4457.31 431.543  57
   0   0   6 3582.44 358.242  56
   0   0  -6 3243.49 373.837  59
   0   0  -6 4056.28 405.916  10
   0   0   6 3161.95 392.609  13
   0   0   6 3424.55 265.576   5
   0   0   6 3321.05 305.157  14
   0   0   6 3293.47 380.973   2
   0   0  -7 4085.07 460.218  57
   0   0  -7 3768.33 458.967  59
   0   0  -7 3849.37 357.836  54
   0   0   7 5076.95 474.713  56
   0   0  -7 4237.06 478.680  58
   0   0   7 4036.97 355.384  14
   0   0   7 4333.49 476.630   2
   0   0   7 3426.35 413.804  13
   0   0  -7 4247.57 468.728  10
   0   0  -7 3229.53 425.087  12
   0   0  -8 7887.99 707.708  59
   0   0  -8 7543.94 688.211  58
   0   0  -8 6913.35 630.629  57
   0   0   8 7047.89 595.973  56
   0   0  -8 6975.36 608.991  10
   0   0   8 7156.95 682.539   2
   0   0  -8 8018.25 723.447  12
   0   0   9 15791.6 953.443  56
   0   0  -9 14768.4 1016.00  58
   0   0  -9 16089.9 1082.40  59
   0   0  -9 14215.3 1004.55  57
   0   0  -9 14093.4 957.000  10
   0   0  -9 15475.7 1059.66  12
   0   0   9 16657.6 1115.84   2
   0   0  10 5448.48 435.095  51
   0   0  10 5910.15 431.057  50
   0   0 -10 6211.66 741.621  59
   0   0  10 6085.24 451.145  37
   0   0 -10 5500.23 697.987  58
   0   0 -10 5460.31 724.194  57
   0   0  10 5988.85 435.389  25
   0   0  10 5646.52 680.132   2
   0   0 -10 5039.51 632.973  10
   0   0  10 5121.10 439.539  28
   0   0 -10 4555.17 631.460  12
   0   0  10 5522.10 459.251  19
   0   0  11 35235.3 1091.42  37
   0   0 -11 36375.9 1764.51  58
   0   0 -11 37453.0 1859.46  59
   0   0  11 35189.5 1018.21  52
   0   0  11 33274.1 1036.27  50
   0   0 -11 36386.2 1817.65  12
   0   0  11 33008.9 1018.50  25
   0   0 -11 36632.8 1714.00  10
   0   0  11 35285.9 1167.58  19
   0   0  12 1543.53 245.506  37
   0   0  12 1662.25 229.526  52
   0   0  12 1657.41 264.027  50
   0   0  12 1601.31 213.478  25
   0   0 -12 2322.37 548.224  12
   0   0 -13 2947.82 304.595  31
   0   0  13 2782.35 296.143  37
   0   0 -14 9090.00 452.834  31
   0   0 -14 8961.82 476.010  46
   0   0  14 9080.04 438.926  37
   0   0  14 9748.88 520.736  27
   0   0 -15 13602.6 459.677  46
   0   0  15 14893.2 516.294  27
   0   1 -15 8457.49 312.986  46
   0  -1  15 9073.92 344.651  27
   0  -1  14-166.555 107.858  37
   0   1 -14 92.8208 98.0151  31
   0  -1  14 125.273 129.142  27
   0  -1  13-73.9268 159.584  37
   0  -1  13 26.0820 133.714  27
   0  -1  12 330.526 149.302  37
   0   1 -12 163.517 107.232  24
   0  -1  11 10721.1 629.471  37
   0   1 -11 9433.19 947.470  59
   0   1 -11 9183.90 535.391  24
   0   1 -11 7419.50 838.984  10
   0  -1  11 9968.98 627.328  19
   0   1 -11 8033.97 874.356  12
   0   1 -10 2598.32 560.050  59
   0   1 -10 3991.21 600.748  57
   0  -1  10 3238.72 372.969  37
   0  -1  10 3185.68 335.887  51
   0   1 -10 2832.45 516.591  58
   0  -1  10 2340.45 326.157  28
   0   1 -10 2758.67 541.134  10
   0  -1  10 2498.08 506.260   2
   0   1 -10 3140.57 585.741  12
   0  -1  10 3347.29 351.957  19
   0  -1   9-8.24899 142.610  37
   0  -1   9 31.6646 98.2783  51
   0   1  -9-572.046 306.657  58
   0   1  -9 208.508 231.654  57
   0   1  -9 474.934 293.004  59
   0   1  -9 268.448 314.266  12
   0   1  -9-158.894 147.458  10
   0  -1   9-102.530 268.603   2
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   1  -4   1 355426. 3642.03  17
   1  -4   1 357719. 3622.96   4
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   1  -4   2 26.2612 162.925   4
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   1  -4   2 52.7808 90.6901  17
   1  -4   2-9.68383 74.7032   2
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   1  -4   3 221.616 177.921  17
   1  -4   3 98.7186 78.4706  11
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   1  -4   3 210.164 155.888   4
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   1  -4   4 79778.2 1833.46   2
   1  -4   4 82441.3 2103.72   4
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   1  -4   4 78555.3 1878.46  11
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   1  -4   5 19337.7 1008.93   2
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   1  -4   5 18474.8 1081.98   4
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   1  -4   6 28522.3 1346.79   2
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   1  -4   6 27022.2 1394.38   4
   1  -4   7 36289.0 1652.75   2
   1  -4   7 37418.5 1151.27  18
   1  -4   7 38071.6 1140.18  22
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   1  -4   8 1478.74 273.838  51
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   1  -4   8 2031.58 283.896  19
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   1  -4   9 19405.6 854.848  37
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   1  -4   9 17973.6 832.013  18
   1  -4  10 28046.6 972.022  51
   1  -4  10 29928.7 1004.05  37
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   1  -3 -12 2421.82 524.556  17
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   1  -3 -11 48002.1 1234.04  46
   1  -3 -11 47884.9 2065.40  59
   1  -3 -11 48271.5 2041.82  57
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   1  -3 -11 47943.6 2033.12  17
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   1  -3 -10 28476.4 915.510  46
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   1  -3  -6 61280.8 1589.44  59
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   1  -3  -5 9047.37 484.028  54
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   1  -3  -5 8561.66 564.365  57
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   1  -3  -5 8641.44 403.340  10
   1  -3  -5 8522.07 570.886  12
   1  -3  -5 8771.86 580.069  17
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   1  -3  -4 29720.7 957.263  57
   1  -3  -4 27998.9 895.297  59
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   1  -3  -4 30221.9 992.170  17
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   1  -3  -4 30251.4 861.570   3
   1  -3  -4 29368.0 948.003  12
   1  -3  -3 11474.4 531.839  59
   1  -3  -3 10650.3 554.737  57
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   1  -3  -3 11894.2 498.860   3
   1  -3  -3 10962.9 565.153  17
   1  -3  -2 131740. 1671.25  59
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   1  -3  -1 121574. 1697.26  57
   1  -3  -1 124864. 1581.08  59
   1  -3  -1 123374. 1738.05  17
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   1  -3  -1 117989. 1459.31  11
   1  -3  -1 122448. 1658.15   4
   1  -3  -1 121373. 1616.36  12
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   1  -3   0 50857.8 989.608  11
   1  -3   0 53934.7 1166.52  17
   1  -3   0 52154.6 1123.58   4
   1  -3   0 51547.7 1070.13  12
   1  -3   0 49801.0 579.652   2
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   1  -3   1 506.650 110.270   2
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   1  -3   1 458.923 164.127   4
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   1  -3   1 845.427 162.805  11
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  -1   3  -2 175.822 95.8561  16
   1  -3   2 325.184 151.911  11
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   1  -3   2 134.919 118.701  17
   1  -3   2 427.982 113.000  13
   1  -3   2 197.355 131.940   4
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   1  -3   2 139.892 94.0880   2
  -1   3  -3 68793.4 1262.96  55
   1  -3   3 62831.2 1443.22  11
   1  -3   3 66226.9 1553.72   4
   1  -3   3 63608.7 1536.43  17
   1  -3   3 64879.0 1368.11   2
   1  -3   3 62039.7 1234.51  13
  -1   3  -3 66717.6 1105.97   7
  -1   3  -3 65896.0 1426.35  15
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  -1   3  -3 66464.6 1562.63  10
   1  -3   4 597.378 199.235   2
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   1  -3   4 1136.69 246.239   4
  -1   3  -4 1037.14 242.264   1
   1  -3   4 1173.13 188.937  13
   1  -3   4 801.698 218.706  11
   1  -3   5 85969.8 2110.88   4
   1  -3   5 82053.1 1981.14  11
  -1   3  -5 82129.1 1678.50  15
   1  -3   5 79835.0 1930.15   2
   1  -3   5 82536.2 1747.45  13
  -1   3  -5 84126.3 2088.47   1
  -1   3  -5 86635.2 2122.59  10
   1  -3   6 17261.1 1000.41   2
   1  -3   6 16936.7 883.952  13
  -1   3  -6 19299.1 1102.44  10
   1  -3   6 17044.6 992.601  11
  -1   3  -7 676.148 303.987  59
   1  -3   7 353.116 155.301   2
  -1   3  -7 337.750 308.097  10
   1  -3   8 60201.7 1412.12  51
  -1   3  -8 58354.4 1294.67  35
  -1   3  -8 60354.2 2187.04  59
  -1   3  -8 57319.0 2176.89  10
   1  -3   8 59754.1 2177.67   2
   1  -3   8 60409.7 1447.08  22
   1  -3   8 59434.2 1384.82  19
   1  -3   8 59890.4 1382.11  28
   1  -3   8 60591.0 1470.51  18
   1  -3   9-134.594 150.500  51
  -1   3  -9-3.67728 273.605  59
  -1   3  -9 44.7514 183.705  58
   1  -3   9 104.992 118.392  28
   1  -3   9-56.0880 137.003  18
  -1   3  -9 166.462 176.940  12
   1  -3   9-58.3069 125.935  19
  -1   3  -9 370.948 263.584  10
   1  -3  10 3332.23 384.087  37
  -1   3 -10 3006.85 615.829  59
   1  -3  10 2696.67 342.368  51
  -1   3 -10 3062.82 622.728  12
   1  -3  10 3316.59 383.205  18
   1  -3  10 3159.88 348.896  19
   1  -3  10 3419.98 348.593  28
   1  -3  11 229.515 170.740  51
  -1   3 -11 267.149 105.483  47
   1  -3  11 90.8195 165.145  37
   1  -3  11 50.1707 111.802  19
   1  -3  12 11949.5 588.345  37
  -1   3 -12 11476.1 540.710  24
  -1   3 -13 18147.7 609.622  31
   1  -3  13 18555.9 616.137  37
   1  -3  13 18103.9 584.249  27
   1  -3  14 246.046 85.4997  37
  -1   3 -14 108.757 66.6350  46
  -1   3 -14 156.285 72.3497  31
   1  -2 -16 5529.70 261.855  39
   1  -2 -16 5244.52 245.491  20
  -1   2  16 5804.06 277.946  27
   1  -2 -15 11907.8 422.411  46
  -1   2  15 12626.4 523.680  27
   1  -2 -15 12281.6 498.749  20
   1  -2 -14 101.779 134.129  46
  -1   2  14-59.8566 105.807  52
  -1   2  14-58.0476 139.970  27
   1  -2 -13 5706.57 408.687  46
  -1   2  13 5913.89 453.540  52
  -1   2  13 5357.72 446.169  50
   1  -2 -13 6105.37 750.175  17
  -1   2  13 5497.90 462.232  27
   1  -2 -12 1918.64 455.584  59
  -1   2  12 1864.23 276.704  50
  -1   2  12 1947.46 272.784  52
   1  -2 -12 1842.78 262.183  46
  -1   2  12 1599.77 271.408  27
   1  -2 -12 2042.53 432.411  12
   1  -2 -12 1434.59 450.821  17
  -1   2  11 2083.18 308.384  50
   1  -2 -11 2873.89 566.875  59
  -1   2  11 2386.72 513.760  56
   1  -2 -11 2715.62 492.299  57
  -1   2  11 2420.67 333.163  27
  -1   2  11 2837.68 318.469  25
  -1   2  11 3372.85 525.839   2
   1  -2 -11 3244.07 599.515  12
   1  -2 -11 2617.29 529.767  17
   1  -2 -10 27438.3 1451.53  57
   1  -2 -10 27048.6 1488.92  59
  -1   2  10 26621.4 1377.71  56
  -1   2  10 27789.0 961.858  50
   1  -2 -10 28612.6 1526.91  12
  -1   2  10 30089.4 1488.68   2
  -1   2  10 28846.1 976.335  25
  -1   2   9 10171.4 800.030  56
   1  -2  -9 10672.3 862.654  59
   1  -2  -9 9361.32 810.223  57
  -1   2   9 10521.3 810.843   2
   1  -2  -9 10348.4 866.988  12
   1  -2  -8 1218.27 284.852  57
   1  -2  -8 1679.89 347.355  59
  -1   2   8 1456.44 319.366  56
   1  -2  -8 1182.18 317.624  58
   1  -2  -8 1353.60 334.079  12
   1  -2  -8 1119.98 224.693  10
  -1   2   8 1410.72 301.126  14
  -1   2   8 1283.13 266.558   2
  -1   2   7 9808.83 684.513  56
   1  -2  -7 9111.81 661.967  57
   1  -2  -7 9008.94 673.647  59
   1  -2  -7 9452.86 693.745  58
   1  -2  -7 10369.4 576.907  10
   1  -2  -7 9751.67 705.567  12
  -1   2   7 9045.31 625.497   2
  -1   2   7 9875.24 663.146  14
   1  -2  -6 217573. 2898.48  59
   1  -2  -6 217310. 2896.58  57
  -1   2   6 225800. 2936.17  56
   1  -2  -6 214736. 2916.60  58
   1  -2  -6 215190. 2171.63  54
  -1   2   6 230513. 2913.32  14
  -1   2   6 233711. 2794.14   2
   1  -2  -6 233930. 2402.65  10
   1  -2  -6 223348. 2994.58  12
   1  -2  -5 21283.0 820.996  57
  -1   2   5 22126.4 625.455  55
   1  -2  -5 22035.2 851.370  58
   1  -2  -5 22122.8 843.350  59
  -1   2   5 21536.9 836.604  56
   1  -2  -5 21729.6 635.479  54
  -1   2   5 21747.4 671.691  16
   1  -2  -5 21206.9 837.655  12
  -1   2   5 23844.5 872.621  14
  -1   2   5 22897.3 818.762   5
  -1   2   5 22634.1 769.063   2
   1  -2  -5 22179.9 652.977  10
   1  -2  -4 217.480 134.600  59
  -1   2   4 380.004 110.477  55
   1  -2  -4 318.091 151.786  57
  -1   2   4 396.268 163.925  56
   1  -2  -4 244.151 99.1672  54
  -1   2   4 284.105 110.259  16
  -1   2   4 406.874 122.723   2
  -1   2   4 414.291 146.756  14
   1  -2  -4 275.209 92.7263  10
  -1   2   4 446.470 140.095   5
   1  -2  -4 405.181 165.559  12
   1  -2  -4 474.063 145.157  17
  -1   2   3 5867.95 377.085  56
   1  -2  -3 6144.98 354.295  59
   1  -2  -3 5659.61 370.398  57
  -1   2   3 6233.02 340.293  55
   1  -2  -3 6167.95 310.117  54
  -1   2   3 6143.22 350.150  16
   1  -2  -3 5748.02 230.718  10
   1  -2  -3 5954.46 364.364  12
  -1   2   3 5459.93 362.839  14
  -1   2   3 6086.21 284.709   2
  -1   2   2 201578. 1932.27  56
  -1   2   2 200459. 1844.22  55
   1  -2  -2 192790. 1854.15  57
   1  -2  -2 194214. 1728.29  59
  -1   2   2 201216. 1066.08   2
  -1   2   2 201828. 1909.65  14
   1  -2  -2 200222. 1773.13   3
   1  -2  -2 189305. 1782.44  12
   1  -2  -1 541.729 130.547  57
  -1   2   1 571.632 129.474  55
   1  -2  -1 437.077 103.095  59
  -1   2   1 482.207 131.067  56
  -1   2   1 519.495 46.7888   6
   1  -2  -1 519.817 117.912  12
  -1   2   1 540.067 133.241  15
   1  -2  -1 682.334 124.137  11
  -1   2   1 474.279 135.201   7
   1  -2   0 856600. 3765.62  57
   1  -2   0 852231. 3556.66  11
   1  -2   0 859014. 3686.66   4
  -1   2   0 872932. 3695.33   7
   1  -2   0 846208. 3467.98  12
  -1   2  -1 22683.7 617.082  55
  -1   2  -1 20798.2 537.936   1
   1  -2   1 20521.3 490.859   2
  -1   2  -1 22424.4 628.210  10
  -1   2  -1 21030.5 571.694   7
  -1   2  -1 21919.6 649.322  15
   1  -2   1 22056.5 633.278  11
   1  -2   1 22455.4 660.152   4
  -1   2  -2 5418.26 313.006  55
   1  -2   2 5282.67 310.727  13
   1  -2   2 5860.80 382.023   4
   1  -2   2 5377.61 322.880   2
  -1   2  -2 5878.26 305.336   7
  -1   2  -2 5256.71 337.444  15
  -1   2  -2 5559.34 350.633   1
  -1   2  -2 5360.15 369.177  10
   1  -2   2 4763.48 354.841  17
   1  -2   2 5724.50 363.209  11
   1  -2   3 26756.1 816.186   2
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   1   8   3 183718. 3829.67  55
  -1  -8  -3 186667. 2430.06  39
   1   8   3 177811. 2317.45  32
   1   8   3 168704. 3369.37   7
   1   8   3 167374. 3556.76  15
   1   8   3 180659. 3313.41   8
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   1   8   3 172621. 3649.33  16
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   1   8  10 1971.13 298.381  45
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   1   8  10 1235.28 542.298  14
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   1   8  11-54.6675 102.304  33
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   1   8  13 6312.63 424.877  41
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   1   8  13 6659.16 445.510  45
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   1   8  14 3110.04 280.041  41
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   1   8  14 2663.02 263.432  45
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   1   8  15 2233.99 197.566  41
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   2   0   7 5035.81 458.579   5
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   2   0   8 82968.4 2333.18   2
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   2   0  11 104767. 2001.17  28
   2   0  11 97384.4 1795.23  25
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   2   0  11 99789.5 1959.16  19
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   2   0  12 35138.3 1047.48  25
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   2   1 -11 2071.38 569.050  12
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   2   1  -9 2515.00 514.397  59
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   2   1  -9 1802.74 371.889  12
   2   1  -8 9587.85 853.342  58
   2   1  -8 10726.2 879.454  59
   2   1  -8 10308.7 800.130  57
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   2   1  -7 23060.5 1179.21  59
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   2   1  -7 22429.2 1055.62  10
   2   1  -7 23865.0 1283.50   1
   2   1  -6 8957.02 599.128  57
   2   1  -6 8221.10 659.073  59
   2   1  -6 8861.28 710.014   1
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   2   1  -6 8674.44 531.568   8
   2   1  -6 8125.84 584.734  10
   2   1  -5 4688.40 392.110  57
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   2   1  -5 4428.30 413.013  10
   2   1  -5 4715.29 486.784   1
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   2   1  -5 5112.73 393.789   8
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   2   1  -4 70011.6 1299.65  57
   2   1  -4 65535.9 847.970  55
   2   1  -4 67407.0 1395.93  10
   2   1  -4 67457.2 1576.42   1
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   2   1  -4 66438.7 1290.12   8
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   2   1  -3 2705.64 232.843  57
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   2   1  -3 2303.35 138.020   5
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   2   1  -2 19469.4 457.924  57
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   2   1  -1 1334.96 80.4172  57
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   2   1  -1 1338.29 147.281   5
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   2   1   0 246511. 1787.80  11
   2   1   0 239753. 1847.80   3
   2   1   0 245071. 1918.19   5
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   2   1   1 142744. 1366.80  11
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   2   1   1 148030. 1611.47   5
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   2   1   2 246.652 132.676  14
   2   1   2 382.320 108.676  11
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   2   1   3 1258.84 211.756  13
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   2   1   3 1660.17 210.139  14
   2   1   3 1607.45 198.367   9
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   2   1   3 1625.29 209.493  11
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   2   1   4 35729.5 954.281  14
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   2   1   4 37626.8 1037.64  13
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   2   1   4 35208.1 992.283   5
   2   1   4 36108.0 975.105  11
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   2   1   5 10556.4 600.191  11
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   2   1   5 10986.9 623.978  13
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   2   1   6 581.603 131.790  55
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   2   1   6 1430.47 250.530  11
   2   1   6 989.598 200.440  14
   2   1   6 430.512 189.345   5
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   2   1   6 833.370 246.179  13
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   2   1   7 47070.8 1407.88   5
   2   1   7 44757.1 1511.21  13
   2   1   7 45731.6 1507.46  11
   2   1   7 44008.1 1300.71  14
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   2   1   8 40625.9 1566.12  13
   2   1   8 43710.4 1634.22   2
   2   1   8 42289.7 1351.65  14
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   2   1   8 43556.5 1429.18   5
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   2   1   9 77122.4 2292.11  56
   2   1   9 81173.0 2390.38  13
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   2   1  10 37145.2 1704.88  56
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   2   1  10 37782.8 1121.09  25
   2   1  10 38168.9 1156.33  28
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   2   1  10 36908.3 1138.49  19
   2   1  10 35567.7 1703.02  13
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   2   1  10 41077.4 1853.19   2
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   2   1  11 22337.3 927.710  19
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   2   1  11 21790.3 872.216  25
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   2   1  11 23060.2 940.210  28
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   2   1  12 6092.17 440.817  37
   2   1  12 5792.72 455.644  50
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   2   1  12 5972.39 483.538  19
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   2   1  12 5571.17 446.693  25
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   2   1  13 39944.3 1103.77  50
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   2   1  13 40197.1 1114.30  25
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   2   1  13 38399.5 1166.22  19
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   2   1  14 20937.7 712.551  50
   2   1  14 21471.2 735.931  25
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   2   1  15 460.293 151.081  27
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   2   1  16-24.8767 63.2629  27
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   2   2 -13 77.6051 57.8524  31
  -2  -2  12 4088.52 368.495  37
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  -2  -2  11 3137.54 358.923  37
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  -2  -2  11 3453.76 329.533  27
  -2  -2  10 34218.0 1127.56  37
  -2  -2  10 33208.9 1084.85  51
  -2  -2  10 34267.6 1036.48  53
   2   2 -10 37079.2 1830.92  59
  -2  -2  10 35485.5 1078.34  27
   2   2 -10 35285.1 1791.51  12
  -2  -2   9 18997.0 741.519  52
  -2  -2   9 19237.1 853.166  37
  -2  -2   9 19953.3 811.745  53
  -2  -2   9 20630.8 847.229  51
   2   2  -9 19760.5 1325.61  59
   2   2  -9 18361.9 1305.48  58
   2   2  -9 18394.7 1182.96  10
  -2  -2   9 19342.1 1366.51   2
   2   2  -9 18059.6 1280.55  12
  -2  -2   8 13234.9 651.854  44
   2   2  -8 14253.7 1069.06  58
  -2  -2   8 14867.1 713.731  37
  -2  -2   8 14193.1 676.373  53
  -2  -2   8 14290.2 678.066  51
   2   2  -8 13274.3 1020.61  59
  -2  -2   8 14927.6 1144.73   2
   2   2  -8 15279.6 1030.29  10
   2   2  -7 23333.7 1255.33  59
   2   2  -7 24459.5 1148.20  57
  -2  -2   7 21585.6 1265.04   2
   2   2  -7 22265.2 1165.11  10
   2   2  -7 23566.5 1370.68   1
   2   2  -6 4351.63 436.845  57
  -2  -2   6 5488.97 584.211   2
   2   2  -6 5427.58 614.712   1
   2   2  -6 5568.10 513.030   8
   2   2  -6 5604.40 559.077  10
   2   2  -5-212.699 249.754   1
  -2  -2   5 48.2668 127.320   2
   2   2  -5 290.339 189.458  10
   2   2  -5-117.175 133.745   8
  -2  -2   4 182585. 2790.43   2
   2   2  -4 186563. 2842.18   1
   2   2  -4 179832. 2157.11  15
  -2  -2   4 178979. 2750.68   6
   2   2  -3 6560.65 356.048  55
  -2  -2   3 7259.79 526.722   2
  -2  -2   3 7472.45 524.920   6
  -2  -2   3 7466.52 413.604   4
   2   2  -2 57417.8 1064.52  55
  -2  -2   2 59911.4 1336.66   2
   2   2  -2 58855.8 605.001   5
  -2  -2   2 58191.5 993.468   4
   2   2  -1 3952.48 297.924  55
  -2  -2   1 4051.25 331.386   6
  -2  -2   1 3616.34 326.104   2
  -2  -2   1 4249.91 245.827   4
   2   2  -1 3954.97 231.010   5
  -2  -2   0 16012.8 469.055  54
   2   2   0 15416.5 572.636  55
  -2  -2   0 15104.1 580.102   6
  -2  -2   0 13403.6 397.906   4
  -2  -2   0 14333.3 575.029   2
   2   2   0 15466.9 504.474   5
   2   2   0 15038.9 573.064   9
  -2  -2  -1 178213. 1206.22  57
  -2  -2  -1 177964. 1742.36  59
  -2  -2  -1 186402. 1733.61  54
   2   2   1 185377. 1981.89  55
  -2  -2  -1 172007. 1871.87   6
   2   2   1 182045. 1922.80  14
   2   2   1 179243. 1971.71   9
   2   2   1 174852. 1852.26   5
  -2  -2  -1 181278. 1687.25  12
  -2  -2  -2 16637.6 552.385  59
  -2  -2  -2 15870.3 442.029  57
   2   2   2 15914.8 600.888  55
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  -2  -2  -2 16181.4 581.268   6
  -2  -2  -2 16379.7 619.526  10
   2   2   2 16513.0 615.757  14
   2   2   2 16405.4 615.165   9
   2   2   2 15364.2 605.163   5
   2   2   2 16099.6 530.038  13
  -2  -2  -2 15971.9 513.856  12
  -2  -2  -3 2520.59 244.063  59
  -2  -2  -3 2741.37 275.010  54
   2   2   3 2470.43 256.449  55
  -2  -2  -3 2828.01 231.411  57
   2   2   3 2534.16 256.739  13
  -2  -2  -3 2614.51 280.369  10
   2   2   3 2744.01 277.757   9
   2   2   3 2336.56 278.940   5
   2   2   3 2725.94 283.064  14
  -2  -2  -3 3016.68 258.582  12
   2   2   3 2431.00 216.945  11
   2   2   4 9779.77 494.024  55
  -2  -2  -4 9829.95 534.105  54
  -2  -2  -4 10168.6 494.086  57
  -2  -2  -4 9478.64 503.834  59
  -2  -2  -4 9750.30 554.518  10
   2   2   4 9792.17 545.875  14
  -2  -2  -4 9588.51 484.442  12
   2   2   4 10228.4 538.652  13
   2   2   4 9645.39 557.189   5
   2   2   4 9667.63 475.501  11
  -2  -2  -5 120906. 1946.63  59
  -2  -2  -5 114256. 1841.52  57
  -2  -2  -5 121119. 1953.24  54
   2   2   5 119021. 1729.93  55
   2   2   5 119504. 1642.05  16
   2   2   5 114773. 1951.79  14
   2   2   5 120248. 2053.58   5
   2   2   5 113616. 1955.35  13
  -2  -2  -5 115797. 1988.20  10
  -2  -2  -5 119058. 1868.49  12
   2   2   5 119898. 1888.51  11
  -2  -2  -6 702.275 195.834  57
   2   2   6 863.630 157.636  55
  -2  -2  -6 1298.88 247.216  54
  -2  -2  -6 620.380 173.187  59
   2   2   6 835.657 193.894  11
  -2  -2  -6 660.645 181.470  12
   2   2   6 617.973 177.627  14
  -2  -2  -6 533.258 216.545  10
   2   2   6 757.693 235.375  13
   2   2   6 735.702 217.081   5
  -2  -2  -7 11388.3 731.440  57
  -2  -2  -7 10444.9 709.438  59
  -2  -2  -7 10680.6 688.486  54
   2   2   7 10376.2 721.326  13
  -2  -2  -7 11089.1 736.110  10
   2   2   7 10876.4 695.635  14
   2   2   7 10883.5 716.429   5
  -2  -2  -7 11558.5 718.830  12
  -2  -2  -8 36268.8 1426.92  57
  -2  -2  -8 34365.9 1384.91  59
  -2  -2  -8 34799.5 1325.42  54
   2   2   8 36004.0 1464.11  56
  -2  -2  -8 36364.2 1442.24  10
   2   2   8 34762.1 1357.13   5
   2   2   8 35859.6 1451.93  13
   2   2   8 34759.9 1316.97  14
  -2  -2  -8 34739.6 1363.73  12
  -2  -2  -9 23248.9 1249.43  57
  -2  -2  -9 19161.7 1043.42  54
   2   2   9 22403.2 1237.93  56
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   3  -3 -10 8481.32 788.292  59
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   3  -3 -10 9549.52 908.740   3
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   3  -3  -9 38366.6 1779.61   3
   3  -3  -9 36664.9 1643.12  12
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   3  -3  -4 1108.65 247.973  17
   3  -3  -3 198970. 2082.08  59
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   3  -3  -3 213008. 2957.02  11
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  -3   3   3 211626. 2834.94   7
   3  -3  -3 204049. 2861.85   3
   3  -3  -3 205110. 2362.19  12
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   3  -3  -2 17346.5 740.812  57
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   3  -3  -2 17632.3 779.084  17
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   3  -3  -1 172707. 2520.22  11
   3  -3  -1 165703. 2108.43   4
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   3  -3  -1 170320. 1868.75  12
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   3  -3  -1 171055. 2343.42  17
   3  -3   0-14.3685 110.022  11
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   3  -3   0-1.36447 94.0298  17
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   3  -3   2 109417. 1989.74  17
   3  -3   2 107054. 2013.44   4
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   3  -3   4 40333.3 1314.83   5
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   3  -3   5 21204.4 1131.41   4
   3  -3   5 21732.8 1049.16   2
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   3  -3   7 59857.9 1988.28  13
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   3  -3   7 59881.5 2041.80   2
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   3  -2  -6 82086.5 2063.82  17
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   3  -2  -5 188184. 2474.32  59
   3  -2  -5 185917. 3002.31   3
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   3  -2  -5 187444. 2679.60  12
   3  -2  -5 185904. 2915.71  17
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   3  -2  -1 136434. 1555.96   4
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   3  -2  13 4021.02 312.984  19
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   3  -1 -11 501.162 261.745  12
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   3  -1  -8 57093.8 1986.78  58
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   3  -1  -3 229581. 2133.02   1
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   4  -1  -6 48151.6 1621.80  58
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   4  -1  -6 52570.6 1732.16  17
   4  -1  -5 1546.48 289.758  58
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   4  -1  -5 1272.62 322.737   3
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   4  -1  -4 118.846 205.354   3
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   4  -1  -4-181.356 139.106  17
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   4  -1  -3 809.109 246.413   3
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   4  -1  -3 1001.79 200.054  17
   4  -1  -2 138846. 2474.53   3
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   4  -1  -2 134449. 1937.23  17
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   4  -1  -1 3682.62 415.440  11
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   4  -1   0 38062.9 1211.05  11
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   4  -1   0 35988.1 1180.75  13
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   4  -1   1 6224.69 512.911  11
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   4  -1   3 49855.5 1504.52  13
   4  -1   3 54485.2 1576.54   5
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   4  -1   4 21721.1 1036.13   5
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   4  -1   9 39483.0 1095.83  50
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   4  -1   9 40326.5 1169.95  22
   4  -1   9 42318.1 1899.43  13
   4  -1   9 39585.8 1220.39  19
   4  -1   9 42268.2 1963.43   2
   4  -1   9 39365.4 1153.65  18
   4  -1   9 40313.4 1909.59  11
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   4  -1  10 4527.15 409.404  18
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   4  -1  11 726.562 219.021  28
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   4  -1  12 22167.8 850.553  28
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   4  -1  12 23087.0 868.553  19
   4  -1  13 3775.13 307.484  37
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   4  -1  13 4071.45 342.116  28
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   4  -1  13 4120.80 333.839  19
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   4  -1  14 2798.47 233.425  19
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   4   0 -10 6267.66 730.197  12
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   4   0  -9 8003.29 830.006  58
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   4   0  -9 8168.40 815.026  12
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   4   0  -8 1247.57 310.125  58
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   4   0  -5 12087.5 722.270  12
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   4   0  -4 139524. 2322.19  58
   4   0  -4 140189. 2283.12   1
   4   0  -4 133634. 2656.52   3
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   4   0  -4 130734. 2112.09  12
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   4   0  -3 10062.2 560.605  58
   4   0  -3 10537.3 579.904   1
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   4   0   5 48094.3 1564.38  11
   4   0   6 1070.40 279.217  11
   4   0   6 1079.87 225.775  14
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   4   0   7 1923.75 402.515  11
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   4   0   9 12935.3 1068.62   2
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   4   1 -11 35202.2 1650.53  17
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   4   1  -9 27240.5 1557.88  58
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   4   1  -9 26561.0 1512.12  12
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   4   1  -8 27555.0 1449.77  12
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   4   1  -7 121499. 2756.62  59
   4   1  -7 114064. 2855.82  58
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  -4  -1   7 112620. 1860.01  52
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   4   1  -7 116874. 2965.25   1
   4   1  -7 117935. 2781.71  12
   4   1  -6 38486.9 1455.46  59
   4   1  -6 37261.4 1512.68  58
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   4   1  -5 576.489 218.256  12
   4   1  -4 24197.8 956.452  59
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   4   1  -4 23797.4 1061.03   1
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   4   1  -3 41593.2 1406.06   3
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   4   1  -2 87946.4 1634.84   5
   4   1  -2 87414.4 1891.72   3
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   4   1  -1 61221.8 1076.93  58
   4   1  -1 62084.8 1423.84  11
   4   1  -1 57578.3 1443.06   3
   4   1  -1 59766.4 1382.42   5
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   4   1   0 10096.1 565.062  11
   4   1   0 10136.6 599.978  13
   4   1   0 9609.88 575.832   5
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   4   1   1 50120.9 1250.25  11
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   4   1   1 48575.8 1299.91  13
   4   1   1 49680.3 1346.54   5
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   4   1   2 60087.4 1481.93  13
   4   1   2 57994.6 1508.51   5
   4   1   2 59743.0 1393.20  11
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   4   1   3 18010.2 848.976  14
   4   1   3 18499.9 818.376   9
   4   1   3 19363.2 879.698  13
   4   1   3 18942.0 902.244   5
   4   1   3 19754.6 838.170  11
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   4   1   4 21003.8 938.512  14
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   4   1   4 21773.6 888.022   9
   4   1   4 21249.1 1004.70   5
   4   1   4 20603.1 958.699  13
   4   1   4 20296.5 909.812  11
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   4   1   5 22395.7 1008.58  14
   4   1   5 20627.0 1039.81   5
   4   1   5 19735.1 1006.80  13
  -4  -1  -5 21955.2 1033.15  10
   4   1   5 22368.9 1002.40  11
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   4   1   6 4529.19 557.051   5
   4   1   6 4988.24 553.783  13
   4   1   6 4828.68 528.804  11
   4   1   6 5654.82 538.748  14
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   4   1   7 1149.58 319.666  11
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   5   2   5 37922.2 1595.60   5
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   5   2   6 23983.8 1185.90  55
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   5   2   9 109657. 3100.50   5
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   5   3  -5 48352.0 1947.54   3
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   5   3   1 358.471 200.296   9
   5   3   1 92.2149 98.3393  13
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   5   3   2 68584.6 1968.48  55
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   5   3   4 2660.31 428.621  14
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   5   3   4 2748.70 458.847   9
   5   3   4 3260.09 411.033  13
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   5   3   5 3925.47 571.520   5
   5   3   5 4721.31 539.541  13
   5   3   6 2960.00 456.350  55
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   5   3   6 2075.61 413.950  14
   5   3   6 3568.14 476.416  13
   5   3   6 2610.10 469.130   5
   5   3   7 60666.4 1967.38  55
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   5   3   7 58853.2 1783.88  16
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   5   3   7 59354.3 2086.09  14
   5   3   7 60939.6 2228.18   5
   5   3   7 59554.7 2037.82  13
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   5   3   8 787.298 182.802  50
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   5   3   8 1098.45 243.998  25
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   5   3   8 763.398 229.629  14
   5   3   8 1157.86 410.772   5
   5   3   9 5860.83 473.519  45
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   5   3   9 6672.82 460.137  41
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   5   3   9 5957.25 469.757  50
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   5   3   9 6803.52 513.960  25
   5   3   9 7840.70 801.179  14
   5   3   9 7031.98 840.972   5
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   5   3   9 5908.32 733.419  13
   5   3  10 13279.8 675.618  45
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   5   3  10 13320.5 637.713  41
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   5   3  10 13357.3 675.850  28
   5   3  10 12267.9 980.446  14
   5   3  10 13388.4 720.928  25
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   5   3  10 12611.0 1095.53  13
   5   3  10 13421.3 673.372  19
   5   3  11 9197.75 562.040  45
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   5   3  11 9590.05 560.407  19
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   5   3  12 19505.4 827.291  25
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   5   3  12 22558.5 818.862  19
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   5   3  13 5712.62 434.767  25
   5   3  13 5724.65 372.520  19
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   5   3  14 1286.80 194.441  50
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   5   3  14 734.827 167.546  25
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   5   3  14 865.785 138.129  19
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   5   3  15 1442.50 157.986  50
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   5   4  -4 12281.8 958.929   8
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   5   4  -3 50343.2 1774.49  16
   5   4  -3 50359.9 1825.79   9
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   5   4  -2 11716.1 890.440   9
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   5   4  -1 11445.2 833.010  55
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   5   4  -1 11022.0 852.509   9
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   5   4   0 17669.3 1054.20  55
   5   4   0 16194.5 1053.20   9
   5   4   0 16066.0 960.577  14
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   5   4   1 1662.02 332.216  55
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   5   4   1 1396.23 310.815  14
   5   4   1 1247.63 313.401   9
   5   4   1 2524.72 390.938   5
   5   4   2 55556.4 1872.53  55
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   5   4   2 56759.6 1833.18  14
   5   4   2 54478.4 1756.53   5
   5   4   2 55081.8 1888.03   9
   5   4   3 757.660 262.801  55
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   5   4   3 1169.58 347.563  14
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   6   2   5 7379.19 796.523   5
   6   2   5 7804.30 748.558  13
   6   2   5 7651.58 680.772  11
   6   2   6 14292.0 1041.63  55
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   6   2   6 12569.7 1048.28   5
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   6   2   6 13026.3 914.873  11
   6   2   7 17657.6 1164.85  55
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   6   2   7 16287.5 768.399  25
   6   2   7 16587.7 1124.08  14
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   6   2   7 15631.3 1215.25   5
   6   2   7 15579.3 1157.72  13
   6   2   7 16262.7 737.813  19
   6   2   7 17065.9 1097.79  11
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   6   2   8 27874.8 1008.03  50
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   6   2   8 26653.8 919.409  28
   6   2   8 28371.0 1033.91  25
   6   2   8 28167.3 1473.67  14
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   6   2   8 28388.2 1675.22   5
   6   2   8 26090.4 1506.58  13
   6   2   8 26699.4 959.529  19
   6   2   8 28174.0 1451.54  11
   6   2   9 1029.49 232.758  45
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   6   2   9 999.768 177.476  41
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   6   2   9 1108.66 221.537  50
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   6   2   9 1660.43 351.694  14
   6   2   9 1208.50 383.220  13
   6   2   9 1128.00 219.395  19
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   6   2  10 8536.22 562.943  50
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   6   2  10 8539.27 861.075  13
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   6   2  11 1571.75 223.051  45
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   6   2  11 1713.28 261.513  50
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   6   2  11 1641.87 252.870  19
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   6   2  12 10917.1 572.123  50
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   6   2  12 10515.7 533.495  28
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   6   2  12 10109.3 529.733  19
   6   2  13 2305.13 249.698  50
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   6   2  13 2324.22 257.353  25
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   6   2  13 2226.77 219.589  19
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   6   2  14 1439.36 158.806  50
   6   2  14 1736.37 190.815  25
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   6   2  14 1289.88 142.681  19
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  -6  -3   5 683.798 173.094  44
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   6   3  -4 10380.0 879.582   9
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   6   3  -3 20015.2 1180.53  14
   6   3  -3 18525.2 1212.71   9
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   6   3  -2 44584.3 1756.91  14
   6   3  -2 46540.0 1899.53   9
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   6   3  -1 35043.3 1542.60  55
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   6   3  -1 37182.1 1598.30  14
   6   3  -1 38253.9 1711.23   9
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   6   3   0 24373.4 1294.91  55
   6   3   0 24546.2 1299.36  14
   6   3   0 24441.3 1351.10   9
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   6   3   1 57162.8 2003.73  55
   6   3   1 59139.9 2016.84  14
   6   3   1 53743.3 1825.19   5
   6   3   1 59655.0 2087.55   9
   6   3   1 56951.9 1751.96  13
  -6  -3  -1 57163.9 2040.03   6
   6   3   2 100046. 2661.11  55
  -6  -3  -2 101695. 2717.52   6
   6   3   2 100230. 2649.06  14
   6   3   2 98024.4 2557.71   5
   6   3   2 107448. 2776.48   9
   6   3   2 100934. 2377.00  13
   6   3   3-34.0798 249.089  55
  -6  -3  -3 211.448 182.717  54
  -6  -3  -3 236.633 232.976   6
   6   3   3 201.992 267.079  14
   6   3   3 159.612 181.633   9
   6   3   3-226.461 261.670  13
   6   3   3-77.1649 146.789   5
   6   3   4 20745.1 1249.46  55
  -6  -3  -4 19102.0 1043.65  54
  -6  -3  -4 19558.3 1221.48   6
   6   3   4 17335.7 1141.42  14
   6   3   4 18896.9 1214.68   5
   6   3   4 18128.5 1177.62   9
   6   3   4 18304.0 1074.25  13
   6   3   5 2434.64 459.290  55
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  -6  -3  -5 2817.19 527.133   6
   6   3   5 2967.82 505.474  14
  -6  -3  -5 2820.06 297.775  23
   6   3   5 2161.40 394.946  13
   6   3   5 2972.92 518.066   5
   6   3   6 9893.95 926.095  55
  -6  -3  -6 9600.92 836.881  54
  -6  -3  -6 8844.61 570.522  35
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  -6  -3  -6 8835.56 847.353   6
   6   3   6 9659.03 568.868  25
   6   3   6 8376.67 856.612  14
  -6  -3  -6 9400.81 554.339  24
   6   3   6 10952.7 1006.42   5
  -6  -3  -6 8877.20 532.539  23
   6   3   6 8832.86 843.700  13
   6   3   7 1831.21 450.527  55
  -6  -3  -7 1856.80 252.594  31
  -6  -3  -7 1443.33 379.498  54
  -6  -3  -7 1666.11 264.758  35
   6   3   7 1740.96 242.268  50
  -6  -3  -7 1801.59 299.008  40
  -6  -3  -7 1308.38 250.055  47
  -6  -3  -7 1076.26 347.178   6
  -6  -3  -7 1554.68 391.876  10
   6   3   7 1673.39 279.978  25
  -6  -3  -7 1343.62 246.017  24
   6   3   7 1481.37 372.641  14
  -6  -3  -7 1913.52 240.185  23
   6   3   7 1691.19 382.176  13
   6   3   7 455.631 246.818   5
  -6  -3  -8 3632.18 390.188  35
   6   3   8 3243.15 358.787  50
  -6  -3  -8 3752.47 366.416  31
  -6  -3  -8 3192.97 353.704  47
   6   3   8 4128.86 393.603  25
   6   3   8 4497.64 638.510  14
  -6  -3  -8 3628.31 590.343  10
  -6  -3  -8 2816.38 352.812  24
   6   3   8 3188.35 509.476  13
   6   3   9 3813.99 388.155  45
  -6  -3  -9 3769.50 398.885  35
   6   3   9 3822.73 394.997  50
  -6  -3  -9 4209.35 405.117  31
  -6  -3  -9 3925.92 379.054  47
   6   3   9 3632.13 386.031  25
  -6  -3  -9 3740.52 742.726  10
  -6  -3  -9 3767.39 384.065  24
   6   3   9 3672.53 583.161  14
   6   3   9 4057.08 614.489  13
   6   3  10 1987.90 279.232  45
  -6  -3 -10 2092.21 296.305  35
   6   3  10 1990.83 260.833  41
   6   3  10 1971.08 285.781  50
  -6  -3 -10 2062.20 284.858  31
  -6  -3 -10 2089.62 285.946  47
  -6  -3 -10 1916.21 254.687  46
   6   3  10 2072.06 312.399  25
  -6  -3 -10 1975.36 275.394  24
   6   3  10 2472.64 454.086  14
   6   3  10 1353.29 366.207  13
   6   3  10 2121.28 272.276  19
   6   3  11 3157.15 321.617  45
  -6  -3 -11 3014.72 314.386  35
   6   3  11 3086.07 353.034  50
  -6  -3 -11 2878.08 333.068  31
  -6  -3 -11 2893.71 304.813  47
  -6  -3 -11 3359.93 308.871  46
   6   3  11 2828.40 344.605  25
  -6  -3 -11 2349.33 307.740  24
   6   3  11 2883.68 304.725  19
   6   3  12 4142.14 337.370  45
   6   3  12 3769.12 360.599  50
  -6  -3 -12 3851.80 356.840  31
  -6  -3 -12 4084.72 332.184  47
   6   3  12 4005.96 367.949  25
  -6  -3 -12 3741.14 349.601  24
   6   3  12 3716.17 306.742  19
  -6  -3 -13 131.226 138.563  31
   6   3  13 197.424 128.171  50
   6   3  13 102.219 134.707  25
  -6  -3 -13 60.9077 137.672  24
   6   3  13 241.423 91.2698  19
  -6  -3 -14 1596.94 197.029  31
   6   3  14 1911.89 195.380  50
   6   3  14 1816.58 198.100  25
  -6  -3 -14 1705.88 193.719  24
  -6  -4  10 1001.69 128.591  37
  -6  -4   9 1009.12 161.444  37
  -6  -4   9 1221.84 176.013  53
  -6  -4   8 277.994 140.615  37
  -6  -4   8 141.330 124.898  53
  -6  -4   7 2463.17 295.492  44
  -6  -4   7 2742.67 309.179  37
  -6  -4   7 2732.37 311.358  43
  -6  -4   7 3177.46 330.774  53
  -6  -4   7 2424.92 267.777  52
  -6  -4   7 3013.55 324.235  49
  -6  -4   7 3075.57 309.005  29
  -6  -4   6 11753.2 619.074  44
  -6  -4   6 11674.2 617.425  37
  -6  -4   6 11741.3 631.356  43
  -6  -4   6 11654.9 635.315  53
  -6  -4   6 10799.4 571.921  52
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  -6  -4   6 10765.1 579.593  29
  -6  -4   5 14911.9 715.514  44
  -6  -4   5 14950.5 713.032  37
  -6  -4   5 15234.8 750.597  43
  -6  -4   5 14091.7 706.561  53
  -6  -4   5 15562.8 711.836  52
  -6  -4   5 13087.7 678.586  49
  -6  -4   5 14109.8 681.722  29
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  -6  -4   4 8503.52 549.554  44
  -6  -4   4 8734.92 583.855  43
  -6  -4   4 8262.84 553.891  53
  -6  -4   4 9100.16 571.399  52
  -6  -4   4 8716.33 573.882  49
  -6  -4   4 8065.26 538.154  29
  -6  -4   3 53864.3 1323.85  37
  -6  -4   3 55120.6 1352.35  44
  -6  -4   3 54704.5 1417.86  43
  -6  -4   3 53850.3 1322.27  53
  -6  -4   3 54700.6 1348.58  52
  -6  -4   3 53221.4 1367.06  49
  -6  -4   3 52762.2 1345.32  29
   6   4  -3 52861.6 2057.56   9
  -6  -4   2 10778.3 595.150  37
  -6  -4   2 10936.7 601.981  44
  -6  -4   2 11185.9 631.898  43
  -6  -4   2 11564.7 608.021  53
  -6  -4   2 11285.4 621.242  52
  -6  -4   2 10542.6 613.080  49
  -6  -4   2 10366.8 597.896  29
   6   4  -2 10217.6 915.350   9
  -6  -4   2 11237.6 1029.17   6
  -6  -4   1 1193.43 238.251  44
  -6  -4   1 2236.63 301.792  43
  -6  -4   1 2137.41 292.273  37
   6   4  -1 2299.80 346.116  55
  -6  -4   1 2501.83 316.491  52
  -6  -4   1 1995.09 283.682  49
  -6  -4   1 2454.23 321.831  29
  -6  -4   1 2054.53 253.640  23
   6   4  -1 1979.52 384.307  14
   6   4  -1 1301.37 451.367   9
  -6  -4   1 2540.28 497.446   6
  -6  -4   0 77436.8 1525.94  44
  -6  -4   0 74924.8 1552.15  43
   6   4   0 74271.6 2334.00  55
  -6  -4   0 82200.8 1596.85  52
  -6  -4   0 76628.3 1569.04  49
  -6  -4   0 77581.5 1565.10  29
   6   4   0 77917.5 2337.12  14
  -6  -4   0 74998.3 1520.22  23
   6   4   0 73633.9 2414.45   9
  -6  -4   0 74694.2 2449.75   6
  -6  -4  -1 112708. 1808.13  44
  -6  -4  -1 111541. 1846.26  43
   6   4   1 112221. 2905.09  55
  -6  -4  -1 114652. 1899.58  49
  -6  -4  -1 106628. 1796.47  29
   6   4   1 113097. 2837.26  14
  -6  -4  -1 110656. 1854.94  23
   6   4   1 114479. 2974.42   9
  -6  -4  -1 114758. 2979.95   6
   6   4   2 3866.25 569.836  55
  -6  -4  -2 3671.96 355.643  49
  -6  -4  -2 3625.14 330.873  29
   6   4   2 3903.18 601.101  14
  -6  -4  -2 3184.56 327.518  23
   6   4   2 4169.93 594.144   9
   6   4   2 3690.83 518.768   5
  -6  -4  -2 4815.33 608.598   6
   6   4   3 35129.4 1660.14  55
  -6  -4  -3 39746.8 1116.37  49
  -6  -4  -3 38330.7 1130.79  47
  -6  -4  -3 38186.7 1700.67   6
   6   4   3 37293.0 1689.53  14
   6   4   3 37221.5 1660.67   5
  -6  -4  -3 37354.0 1087.84  23
   6   4   3 38305.9 1755.88   9
   6   4   4 36978.1 1718.97  55
  -6  -4  -4 36310.2 1468.58  54
  -6  -4  -4 36729.5 1059.64  31
  -6  -4  -4 36317.4 1102.72  47
  -6  -4  -4 38523.3 1726.68   6
   6   4   4 37678.5 1718.46  14
  -6  -4  -4 34868.3 1029.97  24
   6   4   4 34979.0 1659.67   5
  -6  -4  -4 36567.9 1088.16  23
   6   4   5 6660.79 743.567  55
  -6  -4  -5 6300.29 664.129  54
  -6  -4  -5 6374.39 483.078  35
  -6  -4  -5 6636.13 466.138  31
  -6  -4  -5 5122.17 444.226  47
  -6  -4  -5 5555.57 749.263   6
   6   4   5 7195.29 827.225  14
  -6  -4  -5 5909.01 444.590  24
   6   4   5 6468.00 741.676   5
  -6  -4  -5 6064.57 445.537  23
   6   4   6 18599.4 1262.09  55
  -6  -4  -6 17553.7 1164.55  54
  -6  -4  -6 17800.0 795.427  35
  -6  -4  -6 17839.0 778.109  31
  -6  -4  -6 17115.5 789.345  47
  -6  -4  -6 18372.3 1259.61   6
   6   4   6 16657.2 723.386  25
   6   4   6 15931.8 1169.77  14
  -6  -4  -6 18538.6 787.093  24
   6   4   6 17255.1 1265.61   5
  -6  -4  -6 17240.3 746.987  23
   6   4   6 17443.4 1119.50  13
   6   4   7 18545.8 1269.77  55
  -6  -4  -7 18514.3 1233.11  54
  -6  -4  -7 18062.1 803.983  35
  -6  -4  -7 17137.3 786.244  31
   6   4   7 18162.2 792.357  50
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   8  -1  -4 3972.03 700.432  13
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  10  -2   2 4118.62 308.394  28
  10  -2   2 4419.34 333.082  19
 -10   2  -3 3365.31 263.655  43
  10  -2   3 3062.27 256.698  28
  10  -2   3 3294.02 302.598  25
  10  -2   3 3434.70 293.540  19
 -10   2  -4 972.639 122.724  43
  10  -2   4 784.521 154.401  28
  10  -2   4 1088.44 172.394  25
  10  -2   4 1160.54 177.274  19
  10  -2   5 2484.82 207.394  28
  10  -2   5 3199.89 256.783  25
 -10   2  -5 2581.61 223.406  23
  10  -2   5 3239.31 255.140  19
  10  -2   6 20.8193 70.0052  28
  10  -2   6 54.0571 67.7279  25
 -10   2  -6 80.8062 74.8455  23
  10  -2   6 183.373 91.8388  19
  10  -2   7 662.870 103.773  19
 -10   1   5 4477.10 268.218  43
 -10   1   5 3319.91 200.053  29
 -10   1   4 254.032 112.582  43
 -10   1   3 16406.0 604.532  43
 -10   1   2 6442.66 405.072  43
 -10   1   1 8109.30 463.204  43
 -10   1   0 6412.92 414.254  43
 -10   1   0 7125.49 421.335  23
 -10   1  -1 430.089 164.970  43
  10  -1   1 111.372 137.191  28
 -10   1  -1 514.203 142.987  23
  10  -1   1 494.861 172.795  19
 -10   1  -2 7081.40 417.663  43
  10  -1   2 7036.07 378.325  28
  10  -1   2 7133.89 431.187  19
 -10   1  -3 36069.9 851.267  43
  10  -1   3 36084.6 826.778  28
  10  -1   3 38453.1 992.078  25
  10  -1   3 38555.8 965.517  19
 -10   1  -4 3308.43 248.081  43
  10  -1   4 3420.68 250.599  28
  10  -1   4 4064.43 328.057  25
 -10   1  -4 3475.38 293.480  23
  10  -1   4 3774.35 306.791  19
  10  -1   5 5372.16 325.709  50
  10  -1   5 5110.33 295.660  28
  10  -1   5 5983.84 370.456  25
 -10   1  -5 5639.58 352.144  23
  10  -1   5 6422.32 365.734  19
  10  -1   6 8331.13 400.617  25
 -10   1  -6 7445.35 349.195  23
  10  -1   6 7116.98 357.682  19
 -10   1  -7 3000.34 184.000  23
  10  -1   7 3438.12 221.749  19
 -10   0   6 2600.49 168.193  29
 -10   0   5 183.583 99.6476  43
 -10   0   5 186.365 73.4275  29
 -10   0   4 1472.05 189.383  43
 -10   0   4 1108.36 150.047  29
 -10   0   3 0.94171 109.095  43
 -10   0   3 66.4387 100.585  29
 -10   0   2 3480.74 307.777  43
 -10   0   1 9134.76 497.322  43
 -10   0   0 7442.43 454.338  43
 -10   0   0 7188.61 424.234  23
 -10   0  -1 15029.1 622.184  43
 -10   0  -1 13712.9 590.678  23
  10   0   1 14333.6 603.189  19
 -10   0  -2 12726.8 550.232  43
 -10   0  -2 13012.0 589.142  23
  10   0   2 13311.2 565.346  19
 -10   0  -3-111.682 132.188  43
  10   0   3 37.4791 137.731  25
 -10   0  -3-43.6826 119.613  23
  10   0   3-128.394 88.3043  19
  10   0   4 3084.35 301.461  25
 -10   0  -4 2442.06 272.813  23
  10   0   4 2729.28 262.470  19
  10   0   5 5206.37 353.738  50
  10   0   5 4949.47 355.410  25
 -10   0  -5 5048.40 347.084  23
  10   0   5 5134.75 333.973  19
  10   0   6 2020.37 226.847  50
  10   0   6 2084.65 228.312  25
 -10   0  -6 1927.77 210.350  23
  10   0   6 2071.58 198.840  19
  10   0   7 87.5296 73.2728  50
  10   0   7 151.390 83.1719  25
 -10   0  -7 181.818 80.5922  23
  10   0   7 197.016 80.1465  19
 -10   0  -8 10815.1 357.671  47
  10   0   8 13494.6 427.537  25
 -10  -1   5 2202.78 188.536  43
 -10  -1   4 9276.21 417.879  43
 -10  -1   3 8133.20 424.723  43
 -10  -1   2 187.323 128.271  43
 -10  -1   1 3.15205 93.9292  43
 -10  -1   0 17567.4 667.502  43
 -10  -1   0 17198.5 623.642  23
 -10  -1  -1 11558.2 540.052  43
 -10  -1  -1 11637.2 542.108  23
  10   1   1 11274.8 497.225  19
 -10  -1  -2 207.647 134.376  43
  10   1   2 483.264 139.500  25
 -10  -1  -2 267.175 147.174  23
  10   1   2 307.527 134.010  19
 -10  -1  -3 5070.94 331.749  43
  10   1   3 5409.56 373.747  25
 -10  -1  -3 4562.25 356.288  23
  10   1   3 4969.65 335.578  19
  10   1   4 5745.71 391.077  25
 -10  -1  -4 6154.93 399.713  23
  10   1   4 5547.26 355.190  19
  10   1   5 1935.13 240.477  50
  10   1   5 1803.96 227.522  25
 -10  -1  -5 1831.99 233.744  23
  10   1   5 1986.99 205.721  19
  10   1   6 1199.74 182.172  50
  10   1   6 1228.71 180.053  25
 -10  -1  -6 1265.49 175.554  23
  10   1   6 1367.97 169.024  19
  10   1   7 1927.97 192.726  45
  10   1   7 2144.98 215.939  50
 -10  -1  -7 2008.91 208.708  47
  10   1   7 2073.49 217.838  25
 -10  -1  -7 1636.85 175.695  23
  10   1   7 1733.75 147.096  19
  10   1   8 5429.72 285.110  50
  10   1   8 5546.13 295.803  25
  10   1   9 235.351 68.2444  25
 -10  -2   5 3090.17 193.297  43
 -10  -2   4 266.904 99.9382  43
 -10  -2   3 1113.68 169.047  43
 -10  -2   2 6652.30 391.399  43
 -10  -2   1 5011.50 357.737  43
 -10  -2   0 5176.43 360.699  43
 -10  -2   0 5419.40 350.799  23
 -10  -2  -1 4677.66 341.550  43
 -10  -2  -1 4694.87 347.037  23
 -10  -2  -2 16607.5 598.490  43
  10   2   2 17949.3 614.106  25
 -10  -2  -2 17674.8 664.074  23
 -10  -2  -3 9653.94 435.523  43
  10   2   3 10460.7 482.208  25
 -10  -2  -3 9995.68 507.740  23
  10   2   4 5575.46 357.012  25
 -10  -2  -4 5509.52 379.851  23
  10   2   5-6.97605 122.390  50
  10   2   5 33.2180 86.9858  25
 -10  -2  -5 76.3363 75.6392  23
  10   2   6-0.91560 113.056  50
  10   2   6 135.180 91.4373  25
 -10  -2  -6-93.3570 86.3766  23
  10   2   7 2061.72 215.366  45
  10   2   7 2287.53 221.049  50
  10   2   7 2128.61 201.542  25
 -10  -2  -7 2002.59 195.386  23
  10   2   8 4819.68 274.380  45
  10   2   8 5002.20 288.525  50
  10   2   8 4511.19 261.737  25
  10   2   9 5288.44 245.505  50
  10   2   9 4933.04 236.545  25
 -10  -3   4 609.556 113.997  43
 -10  -3   3 4195.24 272.033  43
 -10  -3   2 13661.9 512.370  43
 -10  -3   1 2759.79 248.594  43
 -10  -3   0 11068.2 487.679  43
 -10  -3  -1 6789.27 384.794  43
 -10  -3  -1 7156.69 404.126  23
 -10  -3  -2 3057.50 254.183  43
 -10  -3  -2 3388.99 280.373  49
 -10  -3  -2 3359.65 299.709  23
 -10  -3  -3 1055.95 183.522  49
 -10  -3  -3 918.822 190.366  23
 -10  -3  -4 1021.10 172.115  49
 -10  -3  -4 880.943 184.477  23
  10   3   5 4611.05 337.652  50
 -10  -3  -5 4628.06 314.268  49
  10   3   5 4053.87 271.007  25
 -10  -3  -5 4793.59 335.134  23
  10   3   6 875.214 150.929  50
 -10  -3  -6 516.172 138.855  49
  10   3   6 616.011 118.596  25
 -10  -3  -6 643.101 144.627  23
  10   3   7 496.951 123.658  45
  10   3   7 649.093 142.658  50
 -10  -3  -7 355.356 110.755  49
  10   3   7 381.559 94.8503  25
 -10  -3  -7 558.976 136.167  23
  10   3   8 630.005 136.524  45
  10   3   8 683.829 131.799  50
 -10  -3  -8 604.012 112.570  49
  10   3   8 661.150 106.834  25
  10   3   9 45.3652 58.1017  45
  10   3   9 68.1552 73.5347  50
 -10  -3  -9-6.54211 48.2001  49
 -10  -4   3 734.252 100.482  43
 -10  -4   2 166.616 79.1126  43
 -10  -4   1 9402.96 400.149  43
 -10  -4   0 0.73678 66.6703  43
 -10  -4   0-182.120 86.0770  49
 -10  -4  -1 5.05962 81.1168  43
 -10  -4  -1 114.092 102.042  49
 -10  -4  -2 346.286 112.862  43
 -10  -4  -2 615.450 133.365  49
  10   4   3 6128.60 331.635  50
 -10  -4  -3 6636.68 368.492  49
 -10  -4  -3 6221.02 374.907  23
  10   4   4 1968.58 214.835  50
 -10  -4  -4 2315.03 231.464  49
 -10  -4  -4 2388.10 253.793  23
  10   4   5 1819.55 213.448  45
  10   4   5 1492.69 187.908  50
 -10  -4  -5 1668.89 200.579  49
 -10  -4  -5 1323.41 185.766  23
  10   4   6 110.641 113.086  45
  10   4   6 2.84472 92.1591  50
 -10  -4  -6 119.038 88.1085  49
 -10  -4  -6-39.2132 103.302  23
  10   4   7 255.919 107.121  45
  10   4   7 276.336 91.0423  41
  10   4   7 227.707 89.0425  50
 -10  -4  -7 137.169 91.0696  49
  10   4   8 2091.22 189.129  45
  10   4   8 2224.77 180.248  50
 -10  -4  -8 2168.77 176.956  49
  10   4   9 1606.93 139.217  45
 -10  -5   1 10713.0 354.441  49
 -10  -5   0 1786.70 158.293  43
 -10  -5   0 2287.73 193.072  49
 -10  -5  -1 857.452 118.391  43
 -10  -5  -1 881.016 137.738  49
 -10  -5  -2 2814.95 239.606  49
 -10  -5  -3 20660.9 603.300  49
  10   5   4 1320.98 148.262  45
 -10  -5  -4 1588.83 186.405  49
  10   5   5 69.7779 81.7927  45
 -10  -5  -5-77.0035 95.9262  49
  10   5   6-20.5290 72.9232  45
 -10  -5  -6 64.6510 80.8145  49
  10   5   7 2726.20 199.453  45
  10   5   7 2933.60 214.754  41
 -10  -5  -7 3193.29 218.838  49
  10   5   8 2786.80 186.296  45
 -10  -5  -8 3212.23 197.671  49
 -10  -6   0 230.600 75.0583  49
 -10  -6  -1 14254.8 408.627  49
 -10  -6  -2 794.825 118.606  49
 -10  -6  -3 3799.63 233.392  49
 -10  -6  -4 9282.58 359.084  49
  10   6   5 5033.54 265.493  41
 -10  -6  -5 5743.61 282.679  49
  10   6   6 31.9649 62.4452  41
 -10  -6  -6 363.323 94.1570  49
  10   6   7 1601.16 133.430  33
  10   6   7 1515.33 134.384  41
 -10  -6  -7 1925.15 146.540  49
 -11   2   2 2884.98 176.116  43
 -11   2   1 4627.55 228.957  43
  11  -2  -1 4033.63 213.777  19
 -11   2   0 8801.49 316.042  43
  11  -2   0 8927.29 321.716  19
 -11   2  -1 1177.17 128.624  43
  11  -2   1 1060.01 121.398  25
  11  -2   1 1224.97 128.601  19
  11  -2   2 3569.63 211.641  25
 -11   2  -2 4092.96 212.101  23
  11  -2   2 4166.58 216.102  19
  11  -2   3 5232.92 237.823  25
 -11   1   2 16097.8 430.405  43
 -11   1   1 192.518 74.1126  43
  11  -1  -1 199.241 81.5325  25
  11  -1  -1 155.803 62.0597  19
 -11   1   0 331.207 99.6130  43
  11  -1   0 242.089 89.7245  25
  11  -1   0 0.50678 75.3556  19
 -11   1  -1 2075.66 172.085  43
  11  -1   1 2117.38 181.193  25
  11  -1   1 2040.07 161.689  19
  11  -1   2 5557.83 282.577  25
 -11   1  -2 5861.29 280.867  23
  11  -1   2 5432.28 254.403  19
  11  -1   3 2485.38 178.128  50
  11  -1   3 2958.28 205.726  25
  11  -1   3 2568.65 170.361  19
  11  -1   4 467.072 95.9103  25
 -11   1  -4 626.012 90.5946  23
 -11   0   2 7403.68 297.140  43
 -11   0   1 9661.73 363.578  43
 -11   0   0 10850.6 386.975  43
  11   0   0 8912.49 333.174  25
 -11   0  -1 3245.19 211.705  43
  11   0   1 3563.19 227.438  25
 -11   0  -2 28.8709 26.0780  43
  11   0   2-18.0963 61.9988  25
 -11   0  -2-88.8826 65.5033  23
  11   0   3 524.615 105.229  50
  11   0   3 648.929 108.711  25
 -11   0  -3 735.595 121.881  23
  11   0   4 4691.45 250.405  50
  11   0   4 4743.46 249.943  25
 -11   0  -4 4453.13 245.275  23
  11   0   5 1355.78 129.050  50
  11   0   5 1350.78 129.000  25
 -11   0  -5 1253.36 126.538  23
 -11  -1   2 389.495 81.3298  43
 -11  -1   1 2266.74 169.897  43
 -11  -1   0 9836.71 359.346  43
 -11  -1  -1 1037.85 119.647  43
  11   1   2 2422.35 179.741  25
 -11  -1  -2 3186.59 221.207  23
  11   1   3 3613.08 246.672  50
 -11  -1  -3 3215.45 223.552  23
  11   1   4 11748.7 405.405  50
  11   1   4 10658.9 346.531  25
  11   1   5 7715.14 303.638  50
 -11  -1  -5 8168.61 305.063  23
 -11  -2   1-32.0755 64.1827  43
 -11  -2   0 2965.48 193.836  43
 -11  -2  -1 2901.26 172.405  43
 -11  -2  -2 2837.00 201.881  23
  11   2   3 293.665 84.0751  50
 -11  -2  -3 318.676 102.551  23
  11   2   4 154.183 77.6658  50
 -11  -2  -4 182.840 84.6259  23
  11   2   5 1937.90 165.608  45
  11   2   5 2004.01 167.104  50
 -11  -2  -5 1764.06 155.067  23
  11   3   3 3097.45 189.479  45
  11   3   3 3488.80 193.816  50
  11   3   4 1849.53 148.191  45
  11   3   4 1905.90 148.813  50
  11   3   5 5840.44 249.574  45
   0   0   0    0.00    0.00   0

TITL AF-339_auto in P-1
REM P-1 (#2 in standard setting)
CELL 1.54184   9.049175  10.228559  13.285004  71.2042  84.7666  87.0482
ZERR    5.00   0.000228   0.000275   0.000348   0.0024   0.0021   0.0021
LATT  1
SFAC C H N O
UNIT 55.00 50.00 5.00 5.00
REM  CrysAlisPro recorded range (K): Min=134.0; max=135.0; aver:134.5
TEMP -139
TREF
HKLF 4
END
;
_shelx_hkl_checksum              42504
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
Si1 Si 0.63285(3) 0.68140(3) 0.60999(2) 0.01987(9) Uani 1 1 d . . . . .
O1 O 0.65476(9) 0.45713(8) 0.86431(6) 0.02540(19) Uani 1 1 d . . . . .
O2 O 0.82874(11) 0.31345(9) 0.81663(7) 0.0306(2) Uani 1 1 d . . . . .
C1 C 0.71617(13) 0.50264(12) 0.66202(9) 0.0225(2) Uani 1 1 d . . . . .
C2 C 0.75912(17) 0.43159(14) 0.59505(11) 0.0347(3) Uani 1 1 d . . . . .
H2A H 0.796986 0.339643 0.622053 0.042 Uiso 1 1 calc R U . . .
H2B H 0.751704 0.473167 0.520569 0.042 Uiso 1 1 calc R U . . .
C3 C 0.68180(15) 0.34543(13) 0.96276(10) 0.0276(3) Uani 1 1 d . . . . .
C4 C 0.83286(16) 0.28370(14) 0.93143(10) 0.0327(3) Uani 1 1 d . . . . .
C5 C 0.55372(19) 0.24733(16) 0.98418(12) 0.0430(3) Uani 1 1 d . . . . .
H5A H 0.459594 0.298470 0.986714 0.064 Uiso 1 1 calc R U . . .
H5B H 0.562804 0.174368 1.052616 0.064 Uiso 1 1 calc R U . . .
H5C H 0.556102 0.205861 0.927033 0.064 Uiso 1 1 calc R U . . .
C6 C 0.68501(17) 0.40571(15) 1.05273(10) 0.0357(3) Uani 1 1 d . . . . .
H6A H 0.753100 0.483119 1.030940 0.054 Uiso 1 1 calc R U . . .
H6B H 0.718927 0.334488 1.115975 0.054 Uiso 1 1 calc R U . . .
H6C H 0.585077 0.438537 1.069512 0.054 Uiso 1 1 calc R U . . .
C7 C 0.96640(17) 0.3570(2) 0.94734(12) 0.0473(4) Uani 1 1 d . . . . .
H7A H 1.056237 0.325447 0.914007 0.071 Uiso 1 1 calc R U . . .
H7B H 0.976404 0.335816 1.023822 0.071 Uiso 1 1 calc R U . . .
H7C H 0.952683 0.456921 0.914464 0.071 Uiso 1 1 calc R U . . .
C8 C 0.8521(2) 0.12912(17) 0.98250(13) 0.0567(5) Uani 1 1 d . . . . .
H8A H 0.771169 0.082104 0.965111 0.085 Uiso 1 1 calc R U . . .
H8B H 0.850426 0.106979 1.060065 0.085 Uiso 1 1 calc R U . . .
H8C H 0.947338 0.098222 0.955377 0.085 Uiso 1 1 calc R U . . .
C9 C 0.65752(13) 0.74277(12) 0.46002(9) 0.0231(2) Uani 1 1 d . . . . .
C10 C 0.79686(14) 0.73806(13) 0.40524(10) 0.0290(3) Uani 1 1 d . . . . .
H10 H 0.880783 0.704156 0.444874 0.035 Uiso 1 1 calc R U . . .
C11 C 0.81509(16) 0.78164(14) 0.29473(11) 0.0346(3) Uani 1 1 d . . . . .
H11 H 0.910325 0.776607 0.259432 0.042 Uiso 1 1 calc R U . . .
C12 C 0.69358(18) 0.83264(15) 0.23593(11) 0.0377(3) Uani 1 1 d . . . . .
H12 H 0.705449 0.862150 0.160215 0.045 Uiso 1 1 calc R U . . .
C13 C 0.55534(17) 0.84050(15) 0.28749(11) 0.0370(3) Uani 1 1 d . . . . .
H13 H 0.472452 0.876641 0.247239 0.044 Uiso 1 1 calc R U . . .
C14 C 0.53759(15) 0.79543(13) 0.39848(10) 0.0283(3) Uani 1 1 d . . . . .
H14 H 0.441908 0.800567 0.433125 0.034 Uiso 1 1 calc R U . . .
C15 C 0.72299(13) 0.80786(12) 0.65998(9) 0.0224(2) Uani 1 1 d . . . . .
C16 C 0.71612(14) 0.79084(13) 0.76929(10) 0.0277(3) Uani 1 1 d . . . . .
H16 H 0.669513 0.712018 0.818724 0.033 Uiso 1 1 calc R U . . .
C17 C 0.77616(15) 0.88704(14) 0.80676(11) 0.0331(3) Uani 1 1 d . . . . .
H17 H 0.771416 0.873026 0.881220 0.040 Uiso 1 1 calc R U . . .
C18 C 0.84307(15) 1.00359(14) 0.73547(12) 0.0347(3) Uani 1 1 d . . . . .
H18 H 0.883231 1.069901 0.760955 0.042 Uiso 1 1 calc R U . . .
C19 C 0.85106(15) 1.02284(14) 0.62707(12) 0.0331(3) Uani 1 1 d . . . . .
H19 H 0.897039 1.102332 0.578051 0.040 Uiso 1 1 calc R U . . .
C20 C 0.79177(14) 0.92580(13) 0.58993(10) 0.0275(3) Uani 1 1 d . . . . .
H20 H 0.798117 0.939928 0.515415 0.033 Uiso 1 1 calc R U . . .
C21 C 0.42974(13) 0.68556(12) 0.65185(9) 0.0226(2) Uani 1 1 d . . . . .
C22 C 0.33971(14) 0.57166(13) 0.67146(10) 0.0272(3) Uani 1 1 d . . . . .
H22 H 0.383353 0.485852 0.669734 0.033 Uiso 1 1 calc R U . . .
C23 C 0.18716(15) 0.58209(15) 0.69347(11) 0.0339(3) Uani 1 1 d . . . . .
H23 H 0.127438 0.503841 0.706043 0.041 Uiso 1 1 calc R U . . .
C24 C 0.12193(14) 0.70634(16) 0.69712(11) 0.0356(3) Uani 1 1 d . . . . .
H24 H 0.017596 0.713433 0.711622 0.043 Uiso 1 1 calc R U . . .
C25 C 0.20922(15) 0.82001(15) 0.67958(11) 0.0349(3) Uani 1 1 d . . . . .
H25 H 0.165076 0.904919 0.683026 0.042 Uiso 1 1 calc R U . . .
C26 C 0.36102(15) 0.80974(13) 0.65700(10) 0.0292(3) Uani 1 1 d . . . . .
H26 H 0.419942 0.888428 0.644734 0.035 Uiso 1 1 calc R U . . .
B1 B 0.73304(15) 0.42480(13) 0.78227(11) 0.0229(3) 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
Si1 0.01980(16) 0.02010(15) 0.01868(15) -0.00498(12) -0.00170(11) 0.00130(11)
O1 0.0291(4) 0.0248(4) 0.0196(4) -0.0048(3) -0.0014(3) 0.0076(3)
O2 0.0388(5) 0.0301(5) 0.0202(4) -0.0064(3) -0.0032(4) 0.0147(4)
C1 0.0219(6) 0.0226(5) 0.0220(6) -0.0060(4) -0.0025(4) 0.0013(4)
C2 0.0506(8) 0.0284(6) 0.0244(6) -0.0084(5) -0.0064(6) 0.0100(6)
C3 0.0330(7) 0.0262(6) 0.0203(6) -0.0039(5) -0.0017(5) 0.0064(5)
C4 0.0412(8) 0.0334(7) 0.0197(6) -0.0053(5) -0.0040(5) 0.0155(6)
C5 0.0491(9) 0.0406(8) 0.0340(8) -0.0059(6) 0.0060(6) -0.0096(7)
C6 0.0423(8) 0.0422(8) 0.0226(6) -0.0118(6) -0.0033(5) 0.0116(6)
C7 0.0340(8) 0.0751(12) 0.0325(8) -0.0172(8) -0.0079(6) 0.0124(7)
C8 0.0896(14) 0.0386(8) 0.0301(8) -0.0004(6) -0.0032(8) 0.0345(9)
C9 0.0255(6) 0.0203(5) 0.0227(6) -0.0057(4) -0.0014(4) -0.0012(4)
C10 0.0268(6) 0.0325(6) 0.0277(6) -0.0099(5) 0.0005(5) -0.0046(5)
C11 0.0367(7) 0.0375(7) 0.0299(7) -0.0126(6) 0.0094(5) -0.0128(6)
C12 0.0537(9) 0.0366(7) 0.0198(6) -0.0051(5) 0.0016(6) -0.0089(6)
C13 0.0458(8) 0.0364(7) 0.0261(7) -0.0051(5) -0.0096(6) 0.0042(6)
C14 0.0303(6) 0.0281(6) 0.0247(6) -0.0061(5) -0.0036(5) 0.0034(5)
C15 0.0193(5) 0.0217(5) 0.0260(6) -0.0078(5) -0.0023(4) 0.0025(4)
C16 0.0290(6) 0.0267(6) 0.0278(6) -0.0096(5) -0.0005(5) -0.0015(5)
C17 0.0344(7) 0.0373(7) 0.0323(7) -0.0173(6) -0.0029(5) -0.0015(6)
C18 0.0302(7) 0.0341(7) 0.0466(8) -0.0223(6) -0.0015(6) -0.0043(5)
C19 0.0305(7) 0.0262(6) 0.0418(8) -0.0105(6) 0.0023(6) -0.0048(5)
C20 0.0262(6) 0.0255(6) 0.0292(6) -0.0069(5) -0.0011(5) 0.0007(5)
C21 0.0223(6) 0.0264(6) 0.0172(5) -0.0046(4) -0.0022(4) 0.0020(4)
C22 0.0275(6) 0.0304(6) 0.0247(6) -0.0105(5) -0.0005(5) -0.0019(5)
C23 0.0266(7) 0.0455(8) 0.0310(7) -0.0137(6) 0.0007(5) -0.0088(6)
C24 0.0202(6) 0.0545(9) 0.0275(7) -0.0076(6) -0.0016(5) 0.0060(6)
C25 0.0305(7) 0.0360(7) 0.0307(7) -0.0028(6) -0.0003(5) 0.0126(6)
C26 0.0288(6) 0.0254(6) 0.0285(6) -0.0030(5) -0.0003(5) 0.0038(5)
B1 0.0239(6) 0.0215(6) 0.0227(6) -0.0068(5) -0.0022(5) 0.0030(5)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
C21 Si1 C1 111.69(5) . . ?
C21 Si1 C15 106.89(5) . . ?
C1 Si1 C15 112.00(5) . . ?
C21 Si1 C9 108.52(5) . . ?
C1 Si1 C9 109.20(5) . . ?
C15 Si1 C9 108.41(5) . . ?
B1 O1 C3 107.40(9) . . ?
B1 O2 C4 106.70(9) . . ?
C2 C1 B1 115.78(11) . . ?
C2 C1 Si1 120.25(9) . . ?
B1 C1 Si1 123.91(8) . . ?
C1 C2 H2A 120.0 . . ?
C1 C2 H2B 120.0 . . ?
H2A C2 H2B 120.0 . . ?
O1 C3 C6 109.01(10) . . ?
O1 C3 C5 106.49(11) . . ?
C6 C3 C5 110.52(12) . . ?
O1 C3 C4 101.77(9) . . ?
C6 C3 C4 114.67(11) . . ?
C5 C3 C4 113.62(11) . . ?
O2 C4 C8 108.46(11) . . ?
O2 C4 C7 106.73(11) . . ?
C8 C4 C7 110.03(14) . . ?
O2 C4 C3 102.60(9) . . ?
C8 C4 C3 114.86(13) . . ?
C7 C4 C3 113.48(12) . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C9 C10 117.21(11) . . ?
C14 C9 Si1 121.27(9) . . ?
C10 C9 Si1 121.52(9) . . ?
C11 C10 C9 121.67(12) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 119.70(13) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 120.02(12) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 119.97(13) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C9 121.42(13) . . ?
C13 C14 H14 119.3 . . ?
C9 C14 H14 119.3 . . ?
C20 C15 C16 117.49(11) . . ?
C20 C15 Si1 121.65(9) . . ?
C16 C15 Si1 120.77(9) . . ?
C17 C16 C15 121.28(12) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C18 C17 C16 120.06(13) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 119.75(12) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 120.01(13) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 C15 121.40(12) . . ?
C19 C20 H20 119.3 . . ?
C15 C20 H20 119.3 . . ?
C22 C21 C26 117.65(11) . . ?
C22 C21 Si1 122.61(9) . . ?
C26 C21 Si1 119.59(9) . . ?
C23 C22 C21 120.96(12) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 120.22(13) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C23 119.84(12) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 119.89(13) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C21 121.44(13) . . ?
C25 C26 H26 119.3 . . ?
C21 C26 H26 119.3 . . ?
O1 B1 O2 112.90(10) . . ?
O1 B1 C1 124.50(10) . . ?
O2 B1 C1 122.60(11) . . ?
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
Si1 C21 1.8736(12) . ?
Si1 C1 1.8783(12) . ?
Si1 C15 1.8816(12) . ?
Si1 C9 1.8817(12) . ?
O1 B1 1.3661(15) . ?
O1 C3 1.4638(14) . ?
O2 B1 1.3752(15) . ?
O2 C4 1.4595(15) . ?
C1 C2 1.3398(17) . ?
C1 B1 1.5562(17) . ?
C2 H2A 0.9500 . ?
C2 H2B 0.9500 . ?
C3 C6 1.5142(17) . ?
C3 C5 1.519(2) . ?
C3 C4 1.5547(17) . ?
C4 C8 1.5142(19) . ?
C4 C7 1.519(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
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 C14 1.3980(17) . ?
C9 C10 1.4038(17) . ?
C10 C11 1.3866(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.3923(18) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.3989(17) . ?
C15 C16 1.4017(17) . ?
C16 C17 1.3896(18) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.3911(18) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.3972(17) . ?
C21 C26 1.4041(17) . ?
C22 C23 1.3906(18) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.3850(19) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
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
C21 Si1 C1 C2 109.62(12) . . . . ?
C15 Si1 C1 C2 -130.51(11) . . . . ?
C9 Si1 C1 C2 -10.41(13) . . . . ?
C21 Si1 C1 B1 -67.24(11) . . . . ?
C15 Si1 C1 B1 52.62(11) . . . . ?
C9 Si1 C1 B1 172.72(10) . . . . ?
B1 O1 C3 C6 145.18(11) . . . . ?
B1 O1 C3 C5 -95.57(12) . . . . ?
B1 O1 C3 C4 23.67(13) . . . . ?
B1 O2 C4 C8 146.13(13) . . . . ?
B1 O2 C4 C7 -95.35(13) . . . . ?
B1 O2 C4 C3 24.22(13) . . . . ?
O1 C3 C4 O2 -28.76(12) . . . . ?
C6 C3 C4 O2 -146.26(11) . . . . ?
C5 C3 C4 O2 85.29(13) . . . . ?
O1 C3 C4 C8 -146.22(12) . . . . ?
C6 C3 C4 C8 96.28(16) . . . . ?
C5 C3 C4 C8 -32.17(17) . . . . ?
O1 C3 C4 C7 85.99(12) . . . . ?
C6 C3 C4 C7 -31.51(16) . . . . ?
C5 C3 C4 C7 -159.96(12) . . . . ?
C21 Si1 C9 C14 6.55(11) . . . . ?
C1 Si1 C9 C14 128.51(10) . . . . ?
C15 Si1 C9 C14 -109.21(10) . . . . ?
C21 Si1 C9 C10 -173.64(10) . . . . ?
C1 Si1 C9 C10 -51.68(11) . . . . ?
C15 Si1 C9 C10 70.60(11) . . . . ?
C14 C9 C10 C11 -0.98(18) . . . . ?
Si1 C9 C10 C11 179.20(10) . . . . ?
C9 C10 C11 C12 0.6(2) . . . . ?
C10 C11 C12 C13 0.3(2) . . . . ?
C11 C12 C13 C14 -0.9(2) . . . . ?
C12 C13 C14 C9 0.5(2) . . . . ?
C10 C9 C14 C13 0.40(19) . . . . ?
Si1 C9 C14 C13 -179.78(10) . . . . ?
C21 Si1 C15 C20 -115.89(10) . . . . ?
C1 Si1 C15 C20 121.48(10) . . . . ?
C9 Si1 C15 C20 0.92(11) . . . . ?
C21 Si1 C15 C16 60.50(11) . . . . ?
C1 Si1 C15 C16 -62.13(11) . . . . ?
C9 Si1 C15 C16 177.31(9) . . . . ?
C20 C15 C16 C17 -0.39(18) . . . . ?
Si1 C15 C16 C17 -176.92(10) . . . . ?
C15 C16 C17 C18 0.8(2) . . . . ?
C16 C17 C18 C19 -0.7(2) . . . . ?
C17 C18 C19 C20 0.2(2) . . . . ?
C18 C19 C20 C15 0.2(2) . . . . ?
C16 C15 C20 C19 -0.08(18) . . . . ?
Si1 C15 C20 C19 176.42(10) . . . . ?
C1 Si1 C21 C22 -28.58(11) . . . . ?
C15 Si1 C21 C22 -151.41(10) . . . . ?
C9 Si1 C21 C22 91.85(10) . . . . ?
C1 Si1 C21 C26 156.00(9) . . . . ?
C15 Si1 C21 C26 33.17(11) . . . . ?
C9 Si1 C21 C26 -83.57(10) . . . . ?
C26 C21 C22 C23 1.07(18) . . . . ?
Si1 C21 C22 C23 -174.43(10) . . . . ?
C21 C22 C23 C24 -0.52(19) . . . . ?
C22 C23 C24 C25 -0.5(2) . . . . ?
C23 C24 C25 C26 0.9(2) . . . . ?
C24 C25 C26 C21 -0.3(2) . . . . ?
C22 C21 C26 C25 -0.67(18) . . . . ?
Si1 C21 C26 C25 174.98(10) . . . . ?
C3 O1 B1 O2 -9.57(14) . . . . ?
C3 O1 B1 C1 169.57(11) . . . . ?
C4 O2 B1 O1 -10.32(15) . . . . ?
C4 O2 B1 C1 170.51(12) . . . . ?
C2 C1 B1 O1 -157.53(13) . . . . ?
Si1 C1 B1 O1 19.47(18) . . . . ?
C2 C1 B1 O2 21.54(18) . . . . ?
Si1 C1 B1 O2 -161.46(10) . . . . ?
