#------------------------------------------------------------------------------
#$Date: 2016-01-16 09:35:03 +0200 (Sat, 16 Jan 2016) $
#$Revision: 174525 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/39/7223902.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_7223902
loop_
_publ_author_name
'Zhang, Guoqi'
'Tan, Jiawen'
'Phoenix, Tonya'
'Manke, David'
'Golen, James A.'
'Rheingold, Arnold L.'
_publ_section_title
;
 Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with
 double-helical chains or ladder-like networks
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA24044A
_journal_year                    2016
_chemical_formula_sum            'C23 H15 Hg N5 S2'
_chemical_formula_weight         626.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-12-07 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 124.2599(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.4424(10)
_cell_length_b                   7.9438(3)
_cell_length_c                   20.5260(6)
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      72.56
_cell_measurement_theta_min      2.60
_cell_volume                     4237.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus ImuS tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18485
_diffrn_reflns_theta_full        68.00
_diffrn_reflns_theta_max         72.72
_diffrn_reflns_theta_min         5.21
_exptl_absorpt_coefficient_mu    15.044
_exptl_absorpt_correction_T_max  0.5200
_exptl_absorpt_correction_T_min  0.2112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.845
_refine_diff_density_min         -1.661
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4139
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0646P)²+8.7259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                4049
_reflns_number_total             4139
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra24044a2.cif
_cod_data_source_block           umd311
_cod_depositor_comments
;
The following automatic conversions were performed:
'__iucr_refine_instructions_details' tag replaced with
'_iucr_refine_instructions_details' tag.

Automatic conversion script
Id: cif_correct_tags 4268 2015-11-12 08:31:59Z antanas 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7223902
_hkl_file
;
   2   0   0  189.89   11.62
  -2   0   0  207.80   11.62
   4   0   0  114.94    6.42
   4   0   0  104.97    6.47
  -4   0   0  107.06    6.42
   6   0   0  203.29   12.53
   6   0   0  216.13   12.46
  -6   0   0  218.42   12.46
   8   0   0  404.24   25.18
  -8   0   0  447.40   25.11
   8   0   0  440.44   25.10
  10   0   0  602.97   37.65
 -10   0   0  691.07   37.74
 -12   0   0  468.22   26.77
  12   0   0  447.99   26.72
  14   0   0  150.64    8.87
  16   0   0    1.71    0.34
 -20   0   0  227.01   13.41
  20   0   0  231.17   13.41
 -20   0   0  230.36   13.40
 -22   0   0    9.49    0.68
  22   0   0    8.89    0.65
  24   0   0   88.79    5.27
 -24   0   0   89.78    5.28
 -26   0   0   34.14    2.14
  26   0   0   35.38    2.13
 -26   0   0   36.10    2.16
  28   0   0   71.40    4.23
 -28   0   0   72.61    4.23
 -28   0   0   71.42    4.25
 -30   0   0  130.38    7.50
  30   0   0  125.87    7.48
   1  -1   0   82.74    4.84
  -1  -1   0   86.49    4.84
   1  -1   0   75.45    4.83
  -1   1   0   80.56    4.84
  -1   1   0   74.61    4.83
   1   1   0   89.81    4.84
   1   1   0   85.15    4.83
  -3  -1   0   70.55    4.06
   3  -1   0   72.23    4.04
   3  -1   0   69.74    4.09
   3  -1   0   72.27    4.06
  -3   1   0   63.26    4.08
  -3   1   0   68.19    4.06
  -3   1   0   68.15    4.05
   5  -1   0   10.15    0.61
   5  -1   0    9.78    0.62
  -5  -1   0   10.72    0.62
   5  -1   0    9.14    0.71
   5   1   0    8.38    0.66
  -5   1   0    9.81    0.65
  -5   1   0    8.15    0.69
  -5   1   0    9.65    0.61
  -7  -1   0    0.90    0.15
   7  -1   0    0.91    0.28
   7  -1   0    0.95    0.12
   7   1   0    1.21    0.25
  -7   1   0    1.01    0.21
  -7   1   0    1.06    0.18
  -7   1   0    1.01    0.25
   9  -1   0   34.73    2.08
  -9  -1   0   33.62    2.10
  -9   1   0   35.05    2.19
   9   1   0   33.02    2.11
  -9   1   0   34.68    2.14
  11  -1   0  165.61   10.94
  11   1   0  209.60   10.95
  11   1   0  185.45   10.99
  13  -1   0  116.66    6.82
 -15  -1   0    0.74    0.16
  17  -1   0   15.35    1.00
 -19  -1   0   33.16    2.01
 -19  -1   0   33.11    2.02
  19  -1   0   32.93    2.03
 -19   1   0   34.20    2.06
  21  -1   0   64.19    3.59
 -21  -1   0   59.23    3.56
 -21  -1   0   63.09    3.58
  21   1   0   53.57    3.56
 -21   1   0   60.66    3.60
  23  -1   0    0.36    0.16
 -23  -1   0    0.07    0.14
 -23  -1   0    0.06    0.18
 -23   1   0    0.44    0.21
  23   1   0    0.44    0.15
 -25  -1   0    0.03    0.12
  25  -1   0    0.36    0.15
 -25  -1   0    0.49    0.17
 -25   1   0    0.34    0.20
 -27  -1   0    1.35    0.21
 -27  -1   0    1.10    0.17
  27   1   0    1.85    0.24
 -27   1   0    1.29    0.22
 -29  -1   0    8.56    0.60
  29  -1   0    8.86    0.58
 -29   1   0    8.80    0.61
 -31  -1   0   10.78    0.68
 -31   1   0   10.61    0.69
  -2   2   0  397.19   23.16
   4  -2   0    8.52    0.54
   4  -2   0    8.76    0.57
  -4  -2   0    8.42    0.58
   4  -2   0    9.07    0.59
  -4   2   0    8.07    0.64
   6  -2   0   18.98    1.21
  -6  -2   0   19.85    1.16
   6  -2   0   20.53    1.19
   6  -2   0   19.83    1.21
  -6  -2   0   20.80    1.20
  -6  -2   0   18.60    1.23
   6  -2   0   19.40    1.30
  -6   2   0   19.46    1.25
  -6   2   0   20.31    1.34
  -6   2   0   17.26    1.28
  -8  -2   0  238.79   12.37
  -8  -2   0  199.35   12.46
   8  -2   0  214.08   12.44
   8  -2   0  206.68   12.40
   8  -2   0  209.90   12.63
  -8   2   0  213.05   12.56
   8   2   0  208.45   12.51
  -8   2   0  209.43   12.43
  10  -2   0  260.12   14.30
 -10  -2   0  229.03   14.39
 -12  -2   0  215.35   12.02
 -12  -2   0  196.50   12.24
  16  -2   0   23.14    1.47
 -16  -2   0   22.33    1.42
 -18  -2   0  192.11   11.59
 -18  -2   0  196.20   11.60
  18  -2   0  197.66   11.62
 -18   2   0  207.92   11.66
 -20  -2   0  111.29    6.38
 -20  -2   0  102.89    6.39
  20  -2   0  108.69    6.40
 -20   2   0  111.90    6.44
 -22  -2   0   81.26    4.87
 -22  -2   0   83.96    4.86
  22  -2   0   81.45    4.88
 -22   2   0   83.32    4.90
  24  -2   0    7.08    0.55
 -24  -2   0    7.41    0.54
 -24   2   0    7.60    0.60
 -26  -2   0    8.16    0.61
 -26  -2   0    8.60    0.60
  26  -2   0    9.52    0.62
 -26   2   0    8.76    0.65
  26   2   0    9.39    0.61
  28  -2   0   42.87    2.62
 -28  -2   0   44.46    2.60
  28  -2   0   44.35    2.62
 -28  -2   0   43.19    2.62
 -28   2   0   44.87    2.63
 -30  -2   0   54.40    3.16
  30  -2   0   51.88    3.15
 -30   2   0   54.26    3.16
  -1   3   0  681.53   39.85
   3  -3   0  174.52   10.23
   3  -3   0  184.06   10.28
   3  -3   0  174.34   10.25
  -3  -3   0  164.87   10.25
  -5  -3   0    0.91    0.22
   5  -3   0    0.90    0.20
  -7  -3   0  109.11    6.52
   7  -3   0  116.43    6.50
   7  -3   0  120.01    6.45
  -7   3   0   93.30    6.58
   9  -3   0  416.24   23.43
   9  -3   0  422.57   23.51
  -9  -3   0  432.57   23.39
  -9  -3   0  388.10   23.64
  -9   3   0  350.38   23.60
 -11  -3   0  305.40   15.47
  11  -3   0  225.38   15.49
  13  -3   0  178.47   10.45
 -17  -3   0   94.44    5.61
  17  -3   0   99.98    5.67
 -17   3   0   91.08    5.74
 -19  -3   0  201.26   12.08
 -19  -3   0  205.94   12.08
  19  -3   0  210.13   12.11
 -19  -3   0  203.62   12.07
 -19   3   0  212.02   12.16
 -21  -3   0   68.75    4.17
 -21  -3   0   69.73    4.16
  21  -3   0   69.71    4.20
 -21   3   0   74.06    4.25
  23  -3   0   39.91    2.40
 -23  -3   0   39.35    2.34
 -23  -3   0   38.53    2.35
  23  -3   0   38.06    2.37
 -23   3   0   40.15    2.40
 -25  -3   0    0.37    0.14
 -25  -3   0    0.50    0.14
 -25  -3   0    0.68    0.19
  25  -3   0    0.64    0.17
  25  -3   0    0.15    0.14
 -25   3   0    0.58    0.22
 -27  -3   0   26.46    1.59
  27  -3   0   27.31    1.60
 -27  -3   0   27.47    1.58
  27  -3   0   25.88    1.61
  27   3   0   24.44    1.62
 -27   3   0   26.35    1.61
 -29  -3   0   56.21    3.27
  29  -3   0   52.74    3.28
  29  -3   0   56.59    3.27
 -29   3   0   56.72    3.28
   0  -4   0    8.95    0.72
  -2  -4   0    0.71    0.21
   2  -4   0    0.82    0.13
   2  -4   0    0.84    0.21
   4  -4   0    4.66    0.45
  -4  -4   0    3.45    0.29
   4  -4   0    3.66    0.30
  -4  -4   0    4.34    0.48
   4  -4   0    5.06    0.55
  -6  -4   0    4.36    0.29
   6  -4   0    3.76    0.32
   8  -4   0    5.27    0.39
  -8  -4   0    4.68    0.34
   8  -4   0    4.75    0.53
  10  -4   0   42.25    2.61
 -10  -4   0   41.14    2.43
  10  -4   0   39.74    2.48
  12  -4   0    4.92    0.51
 -12  -4   0    6.95    0.43
 -12   4   0    5.07    0.65
 -14  -4   0    0.18    0.19
  14  -4   0    0.19    0.34
 -14   4   0    0.15    0.57
 -14   4   0    0.21    0.23
  14   4   0    0.28    0.27
 -16  -4   0    8.57    0.68
  16  -4   0    8.63    0.83
 -16  -4   0    8.27    0.72
  16   4   0   10.59    0.77
 -16   4   0   10.01    0.69
 -16   4   0    8.55    1.09
  18  -4   0   23.71    1.44
 -18  -4   0   21.86    1.39
 -18  -4   0   21.01    1.37
  18  -4   0   21.82    1.44
 -18   4   0   20.46    1.58
 -18   4   0   21.79    1.43
  18   4   0   21.55    1.41
 -20  -4   0    5.55    0.40
 -20  -4   0    4.39    0.43
  20  -4   0    4.49    0.47
  20  -4   0    5.36    0.48
 -20   4   0    4.91    0.66
  22  -4   0   -0.04    0.14
 -22  -4   0    0.17    0.11
  22  -4   0    0.12    0.16
 -22  -4   0    0.38    0.15
 -22   4   0    0.42    0.26
  24  -4   0    1.26    0.18
 -24  -4   0    1.09    0.15
 -24  -4   0    1.00    0.16
  24  -4   0    1.42    0.25
  24   4   0    1.41    0.22
 -24   4   0    1.68    0.26
  26  -4   0    0.01    0.13
 -26  -4   0    0.06    0.09
 -26  -4   0    0.33    0.18
  26  -4   0    0.03    0.11
 -26  -4   0    0.04    0.10
 -26   4   0    0.11    0.17
  28  -4   0    0.04    0.10
 -28  -4   0    0.24    0.10
  28  -4   0    0.18    0.11
 -28  -4   0    0.07    0.08
 -28   4   0   -0.18    0.15
   1  -5   0  246.40   14.22
  -1  -5   0  238.73   14.21
  -1  -5   0  246.84   14.43
  -3  -5   0   37.54    2.18
   3  -5   0   37.07    2.19
  -3  -5   0   34.13    2.43
   3  -5   0   38.52    2.42
   5  -5   0   18.63    1.23
  -5  -5   0   20.81    1.17
  -5  -5   0   18.79    1.20
   5  -5   0   18.85    1.18
  -7  -5   0  108.20    6.24
   7  -5   0  101.94    6.41
   7  -5   0  109.49    6.26
  -9  -5   0  252.43   13.03
   9  -5   0  234.01   13.02
  -9  -5   0  210.81   12.96
   9   5   0  192.47   13.05
 -11  -5   0  122.01    6.56
 -11  -5   0  127.03    6.54
  11  -5   0  107.58    6.57
  11   5   0  100.28    6.61
 -11   5   0   98.87    6.58
  13  -5   0   20.02    1.36
 -13  -5   0   18.85    1.26
 -13  -5   0   19.77    1.23
 -13   5   0   21.19    1.44
  13   5   0   18.24    1.33
 -13   5   0   19.16    1.27
  15  -5   0    0.80    0.34
 -15  -5   0    1.33    0.22
  15  -5   0    1.22    0.37
  15  -5   0    1.61    0.27
  15   5   0    1.52    0.32
 -15   5   0    1.78    0.53
 -15   5   0    0.87    0.23
  15   5   0    1.59    0.30
 -17  -5   0   33.82    2.24
  17  -5   0   33.35    2.31
 -17  -5   0   34.46    2.23
  17   5   0   39.93    2.28
 -17   5   0   41.55    2.24
 -19  -5   0  111.02    6.59
 -19  -5   0  116.12    6.60
 -19  -5   0  112.75    6.61
  19  -5   0  114.34    6.65
  19  -5   0  115.27    6.65
 -19   5   0  112.64    6.59
  19   5   0  103.33    6.61
  21  -5   0  108.43    6.46
 -21  -5   0  107.96    6.42
  21  -5   0  110.15    6.45
 -21  -5   0  114.71    6.42
 -21   5   0  109.82    6.47
  21   5   0  105.49    6.44
 -23  -5   0   48.60    2.96
 -23  -5   0   50.80    2.96
 -23  -5   0   53.56    2.97
  23  -5   0   48.86    2.98
  23  -5   0   49.94    3.00
 -23   5   0   50.56    3.00
  23   5   0   48.98    2.99
  25  -5   0    2.74    0.26
  25  -5   0    2.37    0.23
 -25  -5   0    2.52    0.20
 -25  -5   0    2.55    0.22
 -25   5   0    2.06    0.30
 -27  -5   0   24.71    1.44
  27  -5   0   26.07    1.47
  27  -5   0   23.73    1.45
 -27  -5   0   24.57    1.45
  27   5   0   23.05    1.49
   0  -6   0   15.65    0.98
   0  -6   0   14.76    0.94
   2  -6   0   33.62    2.04
   2  -6   0   36.02    2.07
  -2  -6   0   34.28    2.06
  -2  -6   0   32.40    2.03
  -4  -6   0    3.28    0.32
  -4  -6   0    3.12    0.27
   4  -6   0    3.39    0.36
   6  -6   0    2.13    0.27
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   9  -1   2  110.61    6.45
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  -8  -2   2  275.18   16.76
   8  -2  -2  307.54   16.73
  -8  -2   2  307.99   16.74
  -8   2   2  293.11   16.79
  -8   2   2  272.65   16.74
   8   2  -2  254.07   16.73
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   2  -2   2   82.47    4.79
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  -4  -2  -2  359.77   22.01
  -4  -2  -2  414.73   21.97
   4  -2   2  371.31   22.19
  -4   2  -2  372.20   21.95
  -4   2  -2  388.17   22.03
   4   2   2  337.66   21.98
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   6  -2   2  315.67   17.56
  -6  -2  -2  299.65   17.66
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  -6   2  -2  293.60   17.57
  -6   2  -2  292.14   17.66
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   8  -2  -5  405.96   25.11
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  -8   2   5  418.26   25.15
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  -2  -2   5   30.40    2.11
  -2  -2   5   33.47    2.17
  -2  -2   5   37.76    2.31
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  11   3  -8  316.73   18.88
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   9  -3  -8  219.07   12.44
   9  -3  -8  203.25   12.42
   9   3  -8  211.57   12.37
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   7  -3  -8  456.53   26.21
   7   3  -8  431.94   26.07
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   8  -2  -9  171.03   10.17
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   8   2  -9  176.28   10.13
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   6   2  -9  279.79   16.60
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  -7   5  10  109.12    6.37
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   5   5 -10  209.31   12.34
  -5   5  10  209.61   12.34
  -5   5  10  218.11   12.39
  -3  -5  10   72.21    4.39
   3   5 -10   73.40    4.35
  -3   5  10   74.56    4.40
  -3   5  10   73.22    4.35
  -1  -5  10    1.20    0.26
   1   5 -10    1.51    0.23
  -1   5  10    1.53    0.28
  -1   5  10    1.63    0.29
   1  -5  10    0.45    0.27
   1   5  10    0.64    0.24
  -1   5 -10    0.38    0.21
   3  -5  10  114.46    6.91
  -3  -5 -10  112.53    6.75
   3   5  10   97.94    6.86
   3   5  10  120.33    6.83
  -3   5 -10  121.84    6.86
   3   5  10  124.98    6.87
  -5  -5 -10  110.47    6.94
  -5   5 -10  107.32    7.03
   5   5  10  119.83    7.04
   5   5  10  127.19    7.01
   5   5  10  126.64    7.04
   7  -5  10   75.87    4.63
  -7  -5 -10   65.74    4.51
   7   5  10   79.78    4.56
   7   5  10   84.48    4.59
  -9  -5 -10   55.13    3.41
   9  -5  10   59.43    3.49
   9   5  10   59.26    3.46
   9   5  10   58.85    3.46
  -9   5 -10   55.28    3.46
   9   5  10   58.19    3.45
  11  -5  10    0.42    0.17
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  11   5  10    0.32    0.14
  11   5  10    0.10    0.11
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  13   5  10   57.20    3.35
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  15   5  10   63.12    3.82
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  24   6 -10   17.91    1.32
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  24   6 -10   20.20    1.28
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  20   6 -10    0.75    0.14
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  18   6 -10    9.66    0.65
  18   6 -10    9.97    0.74
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  16   6 -10   11.11    0.79
  16   6 -10   10.57    0.71
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  14   6 -10   17.40    1.18
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  12   6 -10    7.56    0.62
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  10   6 -10   18.37    1.27
  10   6 -10   19.58    1.21
  -8  -6  10   32.24    1.92
   8  -6 -10   31.96    1.86
  -8   6  10   31.24    1.95
   8   6 -10   29.08    1.96
   8   6 -10   31.13    1.89
   6  -6 -10   34.32    2.04
  -6  -6  10   33.29    2.10
   6   6 -10   33.85    2.07
  -6   6  10   35.14    2.13
  -6   6  10   34.75    2.11
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  -4  -6  10   51.07    3.11
  -4   6  10   52.78    3.13
  -4   6  10   51.13    3.09
   4   6 -10   50.53    3.08
  -2  -6  10   41.51    2.56
   2  -6 -10   40.76    2.47
   2   6 -10   41.54    2.52
  -2   6  10   41.35    2.52
  -2   6  10   43.64    2.57
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   0   6  10    0.26    0.15
   0   6  10    0.33    0.20
   0   6 -10    0.08    0.18
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  -2  -6 -10    2.29    0.23
   2   6  10    2.38    0.40
   2   6  10    2.57    0.32
  -2   6 -10    2.10    0.31
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  -4  -6 -10   26.77    1.56
   4   6  10   26.15    1.63
  -4   6 -10   23.89    1.65
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  -6  -6 -10   33.50    1.97
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   6   6  10   33.32    2.01
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   8   6  10   17.53    1.18
  -8   6 -10   17.87    1.18
   8   6  10   15.53    1.22
   8   6  10   19.82    1.18
   8   6  10   20.46    1.20
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  10   6  10    1.55    0.21
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  12   6  10    7.23    0.48
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  23   7 -10    7.86    0.52
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  23   7 -10    6.29    0.56
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  21   7 -10    4.52    0.45
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  19   7 -10    0.64    0.19
  19   7 -10    0.55    0.13
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  17   7 -10    3.33    0.28
  17   7 -10    2.98    0.38
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  11   7 -10    1.95    0.22
  11   7 -10    1.72    0.33
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   9   7 -10    3.79    0.31
   9   7 -10    3.50    0.43
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   7  -1 -11   23.08    1.56
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   5   1 -11  161.79    9.11
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  -1   1  11  227.33   12.93
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   5   1  11   54.17    3.39
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   7   1  11  124.21    7.43
   7   1  11  125.57    7.44
  -7   1 -11  130.79    7.42
  -7   1 -11  123.37    7.36
   7   1  11  134.08    7.49
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   9  -1  11  205.64   12.06
  -9  -1 -11  208.07   12.00
  -9   1 -11  216.75   12.02
   9   1  11  199.79   12.04
   9   1  11  202.03   12.07
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  13   1  11   11.92    0.86
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  15   1  11   25.00    1.54
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  15   1  11   22.98    1.49
  15   1  11   23.75    1.51
  17  -1  11   67.60    4.18
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  17   1  11   69.80    4.19
 -17   1 -11   71.91    4.16
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  19   1  11   66.51    4.08
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  34   2 -11   32.72    1.94
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  32   2 -11   60.70    3.56
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  30  -2 -11   87.00    5.16
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  30   2 -11   87.45    5.18
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  28  -2 -11   34.76    2.08
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  24   2 -11   80.56    4.87
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  12   2 -11   78.05    5.07
  10  -2 -11  132.10    7.80
  10  -2 -11  121.79    7.77
  10  -2 -11  136.18    7.80
  10   2 -11  134.54    7.66
   8  -2 -11   12.03    1.14
   8   2 -11   15.82    0.86
   6   2 -11   19.33    1.78
   6   2 -11   17.04    1.09
   4   2 -11  148.76    8.87
   4   2 -11  154.93    9.13
   2  -2 -11  223.32   14.20
   2   2 -11  253.51   13.93
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   2   2  11   25.47    1.69
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   4   2  11   26.50    1.78
   4   2  11   26.13    1.73
  -4   2 -11   21.46    1.73
   4   2  11   26.89    1.69
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  -6  -2 -11  104.88    5.92
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  -6   2 -11  104.99    5.94
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   6   2  11  101.66    6.00
  -6   2 -11   91.43    6.01
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  -8   2 -11  106.31    6.31
   8   2  11  106.76    6.37
   8   2  11  106.39    6.37
  -8   2 -11  109.65    6.38
   8   2  11  104.81    6.42
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  10   2  11   65.66    3.95
  10   2  11   65.59    3.98
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  10   2  11   63.04    3.93
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  12   2  11   12.62    0.88
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   7  -3  11   29.42    1.87
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   7   3  11   25.94    1.86
  -7   3 -11   31.54    1.75
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   9   3  11   10.06    0.74
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   9   5 -11   10.43    0.69
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  -7  -5  11    7.47    0.60
  -7   5  11    7.94    0.64
  -7   5  11    8.59    0.60
   7   5 -11    8.36    0.57
   7   5 -11    6.81    0.54
  -5  -5  11    7.64    0.62
   5  -5 -11    7.33    0.52
   5   5 -11    8.06    0.58
  -5   5  11    8.64    0.66
   5   5 -11    7.58    0.57
  -5   5  11    8.46    0.60
  -3  -5  11   35.32    2.17
   3   5 -11   34.76    2.13
  -3   5  11   36.02    2.18
   3   5 -11   33.34    2.13
   1  -5 -11    2.53    0.24
  -1  -5  11    2.95    0.45
   1   5 -11    3.27    0.37
  -1   5  11    2.56    0.44
   1  -5  11   16.45    1.23
  -1  -5 -11   16.74    1.06
   1   5  11   17.97    1.19
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   3   5  11    0.18    0.25
   3   5  11    0.14    0.26
  -3   5 -11    0.28    0.25
   5  -5  11    3.15    0.53
  -5  -5 -11    3.40    0.34
  -5   5 -11    2.89    0.48
   5   5  11    4.08    0.44
   5   5  11    3.61    0.51
   7  -5  11   13.58    0.92
  -7  -5 -11   12.66    0.80
  -7   5 -11   10.74    0.87
   7   5  11   11.09    0.91
   7   5  11   14.13    0.87
   7   5  11   11.81    0.86
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  -9  -5 -11   21.32    1.26
  -9  -5 -11   20.29    1.26
  -9  -5 -11   20.29    1.27
  -9   5 -11   20.50    1.30
   9   5  11   21.34    1.31
   9   5  11   20.51    1.31
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  11  -5  11    1.28    0.23
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  11   5  11    0.80    0.15
  11   5  11    0.91    0.15
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  30   6 -11   12.71    0.73
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  28   6 -11    2.08    0.19
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  24   6 -11   24.00    1.68
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  24   6 -11   25.08    1.64
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  22   6 -11   44.61    2.75
  22   6 -11   41.61    2.80
  20  -6 -11   75.34    5.01
  20   6 -11   91.66    5.05
  20   6 -11   88.33    4.98
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  18   6 -11   16.58    1.09
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  18   6 -11   16.41    1.01
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  16   6 -11    2.44    0.36
  16   6 -11    2.31    0.24
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  14   6 -11   65.35    3.59
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  14   6 -11   62.35    3.65
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  12  -6 -11   64.95    3.79
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  12   6 -11   67.75    3.82
  12   6 -11   65.27    3.88
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  10   6 -11  101.52    6.13
  10   6 -11  106.13    6.07
  -8  -6  11    6.66    0.54
   8  -6 -11    7.06    0.47
   8   6 -11    7.00    0.50
  -8   6  11    6.60    0.58
  -8   6  11    7.04    0.54
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  -6   6  11    2.94    0.33
  -6   6  11    2.42    0.38
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  -4  -6  11   29.13    1.85
   4   6 -11   29.81    1.82
  -4   6  11   29.57    1.82
  -4   6  11   30.87    1.88
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  -2   6  11   22.50    1.38
   2   6 -11   21.34    1.34
  -2   6  11   20.27    1.32
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   0  -6 -11   22.16    1.39
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   0   6 -11   23.12    1.46
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  -2  -6 -11    1.03    0.16
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   4   6  11   -0.04    0.26
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   6   6  11   20.34    1.19
  -6   6 -11   17.00    1.19
   6   6  11   15.93    1.17
   6   6  11   20.47    1.21
  -8  -6 -11   17.54    1.11
  -8  -6 -11   18.60    1.13
   8  -6  11   18.13    1.16
  -8   6 -11   17.83    1.13
   8   6  11   19.27    1.15
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  10   6  11   39.07    2.32
  10   6  11   39.58    2.33
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  21   7 -11   33.06    2.04
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  21   7 -11   32.77    2.00
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  19   7 -11   15.55    0.85
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  13   7 -11   28.51    1.67
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  13   7 -11   27.73    1.73
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  11   7 -11   69.05    3.98
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  -9   7  11   34.20    2.13
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   9   7 -11   35.46    2.20
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  -5   7  11   12.15    0.81
  -5   7  11   11.51    0.76
   5   7 -11   11.26    0.76
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  -3   7  11   29.14    1.78
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  -1   7  11   45.42    2.64
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   3   7  11    0.02    0.23
   3   7  11    0.19    0.15
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   4   0  12   20.71    1.40
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   6   0  12    6.90    0.64
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   8   0  12   56.05    3.51
   8   0  12   63.47    3.62
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  12   0  12   72.39    4.38
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   7  -1  12   13.33    0.97
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  11   1  12   13.15    0.89
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  32   2 -12   41.09    2.53
 -32   2  12   41.62    2.59
 -32   2  12   42.19    2.55
  32   2 -12   43.35    2.54
 -32   2  12   42.61    2.57
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 -30  -2  12   82.31    5.21
  30  -2 -12   89.42    5.13
  30   2 -12   85.84    5.14
 -30   2  12   89.60    5.19
 -30   2  12   84.76    5.15
 -30   2  12   90.59    5.23
 -28  -2  12  105.97    6.05
  28  -2 -12  103.10    6.01
 -28  -2  12   95.04    6.12
 -28   2  12  103.03    6.05
  28   2 -12   97.97    6.04
 -28   2  12  110.07    6.11
 -28   2  12  102.03    6.16
  28   2 -12  102.85    6.05
 -26  -2  12   26.05    1.57
  26  -2 -12   26.75    1.53
  26   2 -12   25.98    1.56
 -26   2  12   25.07    1.69
  26   2 -12   20.95    1.57
 -26   2  12   26.06    1.60
  24  -2 -12    0.36    0.12
 -24   2  12    0.60    0.24
  24   2 -12    0.53    0.13
 -24   2  12    0.12    0.40
  24   2 -12    0.40    0.20
 -24   2  12    0.20    0.37
 -22  -2  12   42.42    2.53
 -22   2  12   41.64    2.56
  22   2 -12   42.73    2.39
 -22   2  12   37.28    2.46
 -22   2  12   35.49    2.76
 -20  -2  12  150.75    8.70
  20   2 -12  150.89    8.59
 -20   2  12  130.46    8.66
 -20   2  12  156.16    8.70
 -18  -2  12  157.20    9.16
  18   2 -12  149.44    9.08
 -18   2  12  160.32    9.18
  16   2 -12   44.72    2.64
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 -14  -2  12    1.85    0.28
  14   2 -12    2.21    0.19
  12  -2 -12  113.52    6.45
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  12   2 -12  114.08    6.13
  12   2 -12   98.94    6.42
  10   2 -12   66.60    4.45
  10   2 -12   75.12    4.16
   8   2 -12  113.14    7.13
   8   2 -12  121.59    6.86
  -6  -2  12   31.68    2.05
  -6  -2  12   32.26    2.06
   6   2 -12   33.34    1.94
   4  -2 -12    3.03    0.83
  -4  -2  12    4.64    0.84
   4   2 -12    4.12    0.33
   2   2 -12   80.73    4.54
  -2   2  12   77.20    4.60
   2   2 -12   74.25    4.50
  -2   2  12   71.88    4.59
   0   2  12  108.98    6.29
   0   2  12  105.42    6.20
   0   2 -12   94.79    6.07
  -2  -2 -12  137.44    8.02
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   2   2  12  117.57    8.14
   2   2  12  149.89    8.19
  -2   2 -12  142.76    8.17
   2   2  12  140.49    8.14
  -2   2 -12  132.40    8.05
  -4  -2 -12   11.97    0.72
   4  -2  12    9.50    0.97
   4  -2  12   12.02    1.16
   4  -2  12   10.65    0.86
   4   2  12   12.01    1.20
   4   2  12    9.46    0.93
  -4   2 -12   12.11    0.75
   4   2  12   11.50    0.86
   4   2  12   11.01    0.88
   6  -2  12    5.67    0.56
  -6  -2 -12    6.18    0.41
   6   2  12    5.32    0.53
  -6   2 -12    5.93    0.44
   6   2  12    5.97    0.55
   6   2  12    5.93    0.64
  -6   2 -12    6.27    0.61
   6   2  12    4.60    0.69
  -8  -2 -12   48.90    2.86
   8  -2  12   48.27    2.95
  -8   2 -12   50.73    2.88
  -8   2 -12   50.90    2.94
   8   2  12   46.06    2.93
   8   2  12   46.97    2.97
   8   2  12   47.73    2.93
   8   2  12   47.62    3.07
 -10  -2 -12   61.68    3.57
  10  -2  12   61.99    3.65
 -10   2 -12   59.28    3.58
  10   2  12   58.41    3.64
  10   2  12   58.94    3.63
  10   2  12   63.47    3.71
 -10   2 -12   59.87    3.61
 -12  -2 -12   65.55    3.86
  12   2  12   68.29    3.96
 -12   2 -12   62.98    3.88
  12   2  12   65.93    3.90
 -14  -2 -12   14.38    0.87
  14  -2  12   12.80    0.91
  14   2  12   13.78    0.92
  14   2  12   14.18    0.89
 -14   2 -12   13.85    0.87
  14   2  12   14.45    0.97
  16   2  12    0.84    0.16
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  35   3 -12    2.43    0.20
  33  -3 -12   11.15    0.71
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  33  -3 -12   10.73    0.72
 -33   3  12   11.66    0.76
  33   3 -12   10.59    0.69
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 -31  -3  12   50.03    2.74
  31  -3 -12   49.23    2.72
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  31   3 -12   45.63    2.74
  31   3 -12   43.01    2.73
 -31   3  12   42.52    2.78
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  29  -3 -12   92.44    5.62
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  29   3 -12   94.87    5.65
  29   3 -12   93.27    5.64
  27  -3 -12   87.12    4.93
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  27   3 -12   75.21    4.96
 -27   3  12   88.10    5.05
 -27   3  12   88.66    4.97
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  27   3 -12   76.95    4.95
  25  -3 -12   25.90    1.53
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 -25  -3  12   22.04    1.68
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  25   3 -12   25.83    1.56
  25   3 -12   25.83    1.58
  23  -3 -12  107.94    6.08
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  23   3 -12  102.56    6.09
  23   3 -12  101.68    6.08
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  21   3 -12   94.25    5.52
  21   3 -12   92.05    5.50
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 -19  -3  12  190.26   10.67
  19   3 -12  179.80   10.71
 -19   3  12  184.53   10.67
  19   3 -12  165.26   10.58
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  13   3 -12   11.18    0.82
  13   3 -12   12.15    0.73
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  11  -3 -12  124.36    7.27
  11   3 -12  116.58    7.00
  11   3 -12  120.18    7.03
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   9   3 -12  319.52   19.20
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   1   3 -12   34.86    2.28
   1   3 -12   39.46    2.31
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  -1   3 -12  279.43   15.28
   1   3  12  286.57   15.35
   1   3  12  255.22   15.30
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  -3  -3 -12   61.55    3.89
   3   3  12   58.78    4.01
   3   3  12   67.76    4.02
  -3   3 -12   64.87    4.00
  -3   3 -12   69.10    3.94
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   3   3  12   72.23    3.99
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   5  -3  12    5.56    0.73
   5  -3  12    7.16    0.63
   5   3  12    6.78    0.61
   5   3  12    6.89    0.59
  -5   3 -12    7.45    0.53
   5   3  12    4.99    0.67
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   7   3  12   33.60    1.99
  -7   3 -12   33.41    1.93
   7   3  12   30.55    1.97
  -7   3 -12   30.94    2.00
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  -9  -3 -12   84.53    4.95
   9   3  12   84.64    5.00
   9   3  12   84.22    5.03
  -9   3 -12   85.97    5.00
  -9   3 -12   81.87    5.03
   9   3  12   82.04    4.99
  11  -3  12   65.12    3.91
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  11  -3  12   67.79    3.93
  11   3  12   66.86    3.92
  11   3  12   61.70    3.86
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  13   3  12   16.23    1.05
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  14   4 -12   13.77    0.87
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   4   4 -12    2.52    0.33
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  -2   4  12   16.74    1.17
   2   4 -12   16.32    1.09
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   6   4  12    0.05    0.44
   6   4  12    0.67    0.19
   6   4  12    0.15    0.27
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   8   4  12    2.84    0.33
   8   4  12    2.95    0.40
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  10   4  12    4.35    0.78
  10   4  12    4.40    0.38
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  21   5 -12   32.57    2.06
  21   5 -12   33.10    2.08
  21   5 -12   37.92    2.26
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  19   5 -12   75.08    4.37
  19   5 -12   70.80    4.31
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  17   5 -12   58.47    3.63
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  11  -5 -12  212.96   11.73
  11   5 -12  216.60   11.77
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  11   5 -12  182.70   11.74
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  -9  -5  12  234.58   13.64
   9   5 -12  222.51   13.60
   9   5 -12  241.62   13.62
  -9   5  12  233.20   13.67
  -9   5  12  246.72   13.63
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  -7  -5  12   52.46    3.30
   7   5 -12   56.64    3.28
  -7   5  12   56.40    3.29
   7   5 -12   51.10    3.26
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   5   5 -12    5.59    0.45
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  -3   5  12   23.04    1.47
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   3   5 -12   22.19    1.41
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  -1  -5 -12  100.07    6.20
  -1   5 -12  115.14    6.30
   1   5  12  108.46    6.31
  -3  -5 -12   41.96    2.51
   3  -5  12   35.08    2.62
   3   5  12   47.85    2.62
   3   5  12   43.22    2.61
  -3   5 -12   41.14    2.59
  -5  -5 -12   23.12    1.38
  -5  -5 -12   22.52    1.39
   5  -5  12   22.58    1.50
   5   5  12   24.99    1.47
   5   5  12   19.78    1.43
   7  -5  12    2.66    0.36
  -7  -5 -12    2.99    0.26
  -7  -5 -12    2.46    0.30
  -7  -5 -12    3.15    0.29
   7   5  12    3.08    0.32
  -7   5 -12    2.97    0.34
   7   5  12    2.76    0.32
   7   5  12    2.00    0.41
  -9  -5 -12   54.18    3.21
  -9  -5 -12   55.12    3.21
   9  -5  12   53.83    3.25
  -9   5 -12   53.58    3.23
   9   5  12   56.48    3.25
   9   5  12   54.53    3.25
  11  -5  12   32.61    1.95
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  11   5  12   33.46    1.96
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  30   6 -12   18.05    1.10
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  28   6 -12   28.16    1.65
 -28   6  12   25.86    1.65
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  26   6 -12   12.18    0.77
 -26   6  12   13.03    0.85
  26   6 -12   10.07    0.83
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  24   6 -12    0.28    0.12
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  22   6 -12   20.90    1.29
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  20   6 -12   16.46    1.08
  20   6 -12   16.00    1.01
  18  -6 -12   18.84    1.19
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  18   6 -12   19.35    1.18
  18   6 -12   19.97    1.26
  16  -6 -12    3.75    0.34
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  16   6 -12    4.36    0.33
  14  -6 -12    2.74    0.26
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  14   6 -12    2.85    0.38
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  12   6 -12   23.47    1.55
  12   6 -12   24.90    1.49
  10  -6 -12   18.61    1.10
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  10   6 -12   17.26    1.20
  10   6 -12   17.94    1.12
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   8  -6 -12   44.28    2.52
  -8  -6  12   40.56    2.57
  -8   6  12   42.53    2.61
   8   6 -12   41.54    2.55
  -8   6  12   44.04    2.57
   6  -6 -12   13.55    0.83
  -6  -6  12   12.79    0.90
   6   6 -12   13.58    0.87
  -6   6  12   12.85    0.88
  -6   6  12   14.29    0.99
   4  -6 -12    0.67    0.13
  -4  -6  12    0.53    0.18
   4   6 -12    0.49    0.15
  -4   6  12    0.65    0.17
  -4   6  12    0.70    0.21
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  -2   6  12    9.91    0.77
  -2   6  12   10.40    0.70
   2   6 -12    9.97    0.72
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   0  -6  12   30.59    2.00
   0   6 -12   32.39    1.96
   0   6  12   31.17    2.04
   0   6  12   33.73    1.93
   0   6  12   28.56    2.12
  -2  -6 -12   49.88    3.01
   2  -6  12   45.87    3.11
  -2   6 -12   48.19    3.07
   2   6  12   53.63    3.09
   2   6  12   55.69    3.04
   4  -6  12    7.43    0.61
  -4   6 -12    5.76    0.55
   4   6  12    8.60    0.58
   4   6  12    6.31    0.59
   4   6  12    6.40    0.54
   6  -6  12    0.34    0.16
   6   6  12    0.16    0.22
  -6   6 -12    0.29    0.14
   6   6  12    0.36    0.15
   6   6  12    0.28    0.15
  -8  -6 -12   21.51    1.28
   8  -6  12   21.25    1.31
   8   6  12   22.20    1.31
  -8   6 -12   20.82    1.29
   8   6  12   21.14    1.31
  10  -6  12   13.15    0.83
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  10   6  12   14.22    0.84
  27   7 -12    4.28    0.29
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  25   7 -12    0.52    0.10
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  23   7 -12    2.27    0.24
  23   7 -12    1.79    0.32
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  21   7 -12    3.38    0.27
  21   7 -12    3.35    0.36
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  19   7 -12    6.78    0.50
  19   7 -12    6.15    0.42
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  15   7 -12    0.48    0.11
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  15   7 -12    0.66    0.17
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  13   7 -12    3.60    0.29
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  13   7 -12    3.68    0.39
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  11   7 -12    1.10    0.22
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   9   7 -12   13.70    0.89
   9   7 -12   11.32    0.77
  -9   7  12   11.65    0.83
  -9   7  12   11.57    0.78
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   7   7 -12   16.29    1.01
  -7   7  12   16.87    1.07
   7   7 -12   15.64    1.14
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   5   7 -12    0.36    0.30
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  -3   7  12    1.53    0.31
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  -1   7  12   10.28    0.71
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   1   7  12   14.54    0.95
   1   7  12   15.83    0.91
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  10   8 -12   46.09    2.75
  10   8 -12   46.26    2.83
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  -8   8  12   19.81    1.22
  -8   8  12   20.84    1.25
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   8   8 -12   17.37    1.32
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   8   0  13    0.21    0.19
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  29   1 -13   38.08    2.39
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  27  -1 -13  156.02    8.74
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  17  -1 -13  333.29   19.84
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  -1   1  13   13.42    0.95
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   1  -1  13  156.94    8.33
   1   1  13  152.04    8.32
   1   1  13  124.98    8.27
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   5   1  13  153.90    8.89
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   7  -1  13   29.39    1.85
   7  -1  13   27.06    1.98
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   7   1  13   29.89    2.00
   7   1  13   30.03    1.86
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   9   1  13    5.87    0.49
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   9   1  13    5.64    0.61
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  11  -1  13   31.78    1.97
  11   1  13   31.81    1.95
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  11   1  13   30.73    1.96
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  11   1  13   31.41    2.00
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  13   1  13   73.93    4.44
  13   1  13   79.65    4.42
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  28   2 -13   63.97    3.73
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  26   2 -13   81.34    5.40
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  24   2 -13   57.09    3.24
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  16   2 -13   69.89    4.10
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  12   2 -13    0.38    0.10
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  -4   2  13  117.98    7.32
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  -2   2  13    0.35    0.30
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  -2   2 -13  129.16    7.46
   2   2  13  129.31    7.70
   2   2  13  108.33    7.55
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   4   2  13  127.49    8.69
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   6  -2  13   50.99    3.74
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  -8   2 -13    0.83    0.20
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  10   2  13   18.24    1.24
  10   2  13   18.01    1.19
  10   2  13   18.65    1.17
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  12   2  13   28.96    1.70
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  12   2  13   26.17    1.58
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  27   3 -13   58.78    3.85
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  16   6 -13   79.70    4.44
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  16   6 -13   78.10    4.38
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  -8  -6  13   29.56    2.42
   8   6 -13   35.18    2.15
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  -8   6  13   37.23    2.22
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   2   6  13   20.66    1.22
   2   6  13   19.15    1.17
   2   6  13   16.74    1.20
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   4   6  13   17.41    1.04
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  11   7 -13    0.07    0.09
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   6   0  14   92.52    5.46
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   6   2  14   52.47    3.44
   6   2  14   58.03    3.35
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   8   2  14   43.71    2.56
  -8   2 -14   41.79    2.47
   8   2  14   39.00    2.46
   8   2  14   40.15    2.49
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  10   2  14    0.16    0.15
  10   2  14    0.04    0.17
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   5  -1  15   34.43    2.07
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   5   1  15   30.60    2.18
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   7   1  15   76.43    4.40
   7   1  15   72.11    4.31
   7   1  15   74.62    4.34
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   9  -1  15   82.59    4.77
   9   1  15   79.49    4.76
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   9   1  15   82.98    4.75
   9   1  15   81.23    4.79
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   8   2  15   31.71    1.96
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  -3   3  15   17.39    1.28
   3   3 -15   21.10    1.21
   1  -3 -15   28.53    1.49
   1   3 -15   29.69    1.62
  -1   3  15   20.88    1.64
  -1   3  15   22.28    1.64
   1   3 -15   21.03    1.55
   1  -3  15    8.07    0.75
   1  -3  15    6.32    0.92
   1  -3  15    8.89    0.73
  -1  -3 -15    7.85    0.51
  -1   3 -15    7.70    0.59
   1   3  15    7.03    0.71
   1   3  15    7.59    0.68
  -1   3 -15    6.05    0.68
   3  -3  15   -0.19    0.25
  -3  -3 -15    0.20    0.10
  -3   3 -15    0.14    0.24
   3   3  15    0.04    0.22
  -3   3 -15    0.24    0.16
   3   3  15    0.00    0.19
   5  -3  15   17.00    1.15
  -5   3 -15   16.23    1.02
   5   3  15   16.33    1.08
   5   3  15   15.84    1.17
   5   3  15   15.77    1.06
   7  -3  15   25.23    1.63
   7   3  15   27.08    1.63
   7   3  15   26.14    1.58
  -7   3 -15   24.39    1.56
   7   3  15   25.64    1.59
   9   3  15   21.31    1.34
   9   3  15   22.32    1.34
  -9   3 -15   21.11    1.32
   9   3  15   23.10    1.37
 -11   3 -15    6.24    0.41
 -34  -4  15   31.57    1.84
 -34   4  15   30.57    1.85
  34   4 -15   31.55    1.82
 -34   4  15   29.63    1.83
 -32  -4  15   83.65    4.81
 -32   4  15   82.18    4.84
 -32   4  15   78.53    4.81
  32   4 -15   83.24    4.80
  30  -4 -15   59.73    3.34
 -30  -4  15   56.38    3.35
  30   4 -15   53.96    3.32
 -30   4  15   54.79    3.32
 -30   4  15   55.18    3.39
 -28  -4  15    5.97    0.51
 -28  -4  15    5.59    0.55
  28   4 -15    5.10    0.46
 -28   4  15    4.52    0.61
 -28   4  15    5.62    0.43
  28   4 -15    4.94    0.44
  26   4 -15    2.85    0.30
 -26   4  15    2.20    0.41
 -26   4  15    2.99    0.33
  26   4 -15    2.59    0.30
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 -24   4  15   65.95    3.97
  24   4 -15   62.38    3.86
  24   4 -15   66.06    3.87
 -22  -4  15  156.98    8.98
 -22  -4  15  152.20    8.98
 -22  -4  15  153.35    9.03
 -22   4  15  154.29    9.02
  22   4 -15  147.65    8.94
 -20  -4  15   99.64    5.90
 -20  -4  15  101.42    5.85
 -20  -4  15  103.70    5.92
  20   4 -15   93.69    5.81
 -20   4  15   97.09    5.88
 -18  -4  15   32.00    2.04
 -18  -4  15   32.00    1.99
 -18  -4  15   33.18    2.00
  18   4 -15   33.10    1.95
 -16  -4  15    0.48    0.16
 -16  -4  15    0.29    0.27
  16   4 -15    0.57    0.16
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 -14  -4  15   47.29    2.91
  14   4 -15   51.74    2.89
  14   4 -15   47.71    2.86
 -12  -4  15  166.23   10.03
 -12  -4  15  167.59   10.08
  12   4 -15  185.00   10.01
  12   4 -15  164.78    9.99
 -10  -4  15  110.36    6.66
 -10  -4  15  111.02    6.59
 -10  -4  15  112.97    6.61
  10   4 -15  122.07    6.58
 -10   4  15  104.28    6.63
  10   4 -15  108.40    6.54
  -8  -4  15   36.19    2.15
  -8  -4  15   30.62    2.25
   8   4 -15   36.50    2.11
  -8   4  15   34.13    2.19
   8   4 -15   35.66    2.10
  -6  -4  15   -0.19    0.40
  -6  -4  15    0.37    0.21
  -6   4  15    0.57    0.28
   6   4 -15    0.17    0.17
   6   4 -15    0.31    0.16
  -4  -4  15   92.03    5.57
  -4  -4  15   90.15    5.62
   4   4 -15  102.57    5.53
  -4   4  15   89.10    5.59
   4   4 -15   92.01    5.53
  -2  -4  15   69.38    4.01
  -2   4  15   64.58    4.00
   2   4 -15   62.51    3.93
   0  -4 -15   42.84    2.27
   0   4  15   38.35    2.40
   0   4 -15   38.74    2.34
   0   4 -15   38.04    2.36
   0   4  15   31.90    2.37
  -2  -4 -15    9.18    0.60
   2  -4  15    9.70    0.72
   2   4  15    8.01    0.72
   2   4  15    8.82    0.71
  -2   4 -15   10.47    0.68
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  -4  -4 -15    6.03    0.41
   4   4  15    5.82    0.48
   4   4  15    5.60    0.50
  -4   4 -15    5.33    0.49
   6   4  15   43.24    2.66
  -6   4 -15   43.33    2.64
   6   4  15   46.31    2.65
  -8   4 -15   59.08    3.57
   8   4  15   63.68    3.59
   8   4  15   59.86    3.59
  33   5 -15    8.35    0.49
 -33   5  15    7.61    0.51
 -33   5  15    7.53    0.50
  31   5 -15    3.40    0.25
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 -31   5  15    3.07    0.26
  29   5 -15    2.83    0.26
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  25   5 -15    1.07    0.25
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  25   5 -15    0.72    0.14
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 -23  -5  15    3.01    0.37
  23   5 -15    3.15    0.29
 -23   5  15    3.80    0.47
 -23   5  15    4.04    0.73
  23   5 -15    3.60    0.32
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 -21  -5  15    6.34    0.49
  21   5 -15    5.86    0.43
 -21   5  15    6.24    0.54
  21   5 -15    5.69    0.42
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 -19  -5  15    4.38    0.38
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  19   5 -15    4.19    0.34
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 -17  -5  15    0.55    0.23
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  17   5 -15    1.07    0.22
  17   5 -15    0.81    0.14
  17   5 -15    0.73    0.14
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  15   5 -15    6.16    0.43
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  13   5 -15    6.44    0.45
  13   5 -15    5.60    0.43
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 -11  -5  15    5.92    0.47
  11   5 -15    6.22    0.45
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  11   5 -15    5.75    0.43
  -9  -5  15    5.06    0.45
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   9   5 -15    4.92    0.41
   9   5 -15    5.56    0.42
  -7  -5  15    0.82    0.54
  -7  -5  15    1.02    0.22
   7   5 -15    1.06    0.18
  -7   5  15    0.60    0.24
   7   5 -15    0.59    0.20
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  -5  -5  15    3.19    0.41
  -5   5  15    2.67    0.44
   5   5 -15    3.35    0.34
   5   5 -15    2.71    0.42
  -3  -5  15   10.62    0.82
  -3   5  15   11.35    0.74
  -3   5  15    9.51    0.97
   3   5 -15   11.68    0.77
  -3   5  15   10.13    0.83
  -1  -5  15    8.08    0.76
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  -1   5  15    9.60    0.77
  -1   5  15   11.70    0.72
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   1   5  15    1.32    0.26
  -1   5 -15    0.52    0.21
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   3  -5  15   -0.06    0.19
   3   5  15    0.11    0.23
   3   5  15    0.32    0.16
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   5   5  15    0.65    0.14
  -5   5 -15    0.54    0.12
   5   5  15    0.55    0.16
  -7   5 -15    0.48    0.09
   7   5  15    0.42    0.11
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  26   6 -15    7.01    0.50
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  24   6 -15   13.35    0.89
  24   6 -15   12.64    0.83
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  22   6 -15   29.33    1.73
  22   6 -15   31.13    1.78
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  20   6 -15   29.82    1.82
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  20   6 -15   31.05    1.87
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  18   6 -15    7.71    0.52
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  18   6 -15    7.97    0.59
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  16   6 -15    2.38    0.32
  16   6 -15    2.16    0.22
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  14   6 -15   12.26    0.77
  14   6 -15   13.31    0.84
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  12   6 -15   43.13    2.53
  12   6 -15   45.17    2.60
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  10   6 -15   35.13    2.29
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  10   6 -15   35.61    2.37
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  -8   6  15   11.02    0.80
   8   6 -15   11.14    0.71
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  -6   6  15    3.53    0.32
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   4   6 -15   11.24    0.78
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  -2   6  15   33.99    1.79
  -2   6  15   28.59    1.84
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   0   6  15    8.97    0.69
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  19   7 -15   28.17    1.62
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  11   7 -15    9.38    0.72
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  -8   0  16  226.66   13.91
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   4   0  16    6.21    0.52
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   6   0  16    1.24    0.27
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   8   0  16   47.45    2.94
   8   0  16   49.93    2.93
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   1   1  16   17.58    1.17
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  -2   2  18   75.00    4.26
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   4   2  18   11.66    0.72
   4   2  18   11.69    0.76
   6   2  18   36.57    2.20
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  -2   2  19   26.39    1.66
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 -22  -2  24    7.98    0.56
 -20  -2  24   16.88    1.09
 -20  -2  24   18.84    1.16
 -20  -2  24   15.89    1.08
 -18  -2  24   52.54    3.11
 -18  -2  24   51.00    3.09
 -16  -2  24   14.92    0.98
 -16  -2  24   15.16    1.00
 -14  -2  24    0.16    0.18
 -14  -2  24    0.05    0.18
 -14   2  24    0.36    0.19
 -23  -3  24    0.33    0.15
 -23  -3  24    0.48    0.25
 -23  -3  24    0.33    0.19
 -21  -3  24   17.66    1.09
 -21  -3  24   15.01    1.04
 -21  -3  24   15.77    1.03
 -19  -3  24   24.73    1.49
 -19  -3  24   22.70    1.48
 -26   0  25    0.18    0.16
 -24   0  25    0.16    0.15
 -22   0  25    0.28    0.14
 -20   0  25   -0.06    0.15
 -20   0  25   -0.01    0.14
 -18   0  25    0.07    0.15
 -18   0  25    0.01    0.16
 -25  -1  25   52.06    3.09
 -23  -1  25   21.10    1.33
 -23  -1  25   22.03    1.32
 -21  -1  25    0.15    0.15
 -21  -1  25    0.20    0.13
 -19  -1  25   16.96    1.09
 -19  -1  25   17.90    1.10
   0   0   0    0.00    0.00
;
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Hg1 Hg 0.449818(5) 0.18984(2) 0.377998(8) 0.03030(10) Uani 1 1 d .
S1 S 0.41466(4) 0.39298(13) 0.42611(7) 0.0393(2) Uani 1 1 d .
S2 S 0.47139(4) -0.10825(14) 0.41809(6) 0.0425(2) Uani 1 1 d .
N1 N 0.52413(13) 0.2909(4) 0.3945(2) 0.0290(7) Uani 1 1 d .
N2 N 0.70832(11) 0.4330(4) 0.50379(17) 0.0249(6) Uani 1 1 d .
N3 N 0.88573(13) 0.3291(4) 0.7415(2) 0.0297(7) Uani 1 1 d .
N4 N 0.37787(19) 0.1592(7) 0.4866(3) 0.0569(12) Uani 1 1 d .
N5 N 0.4512(3) -0.2509(9) 0.2793(3) 0.088(2) Uani 1 1 d U
C1 C 0.52400(14) 0.4253(5) 0.3551(2) 0.0334(8) Uani 1 1 d .
H1 H 0.4919 0.4752 0.3165 0.040 Uiso 1 1 calc R
C2 C 0.56859(14) 0.4949(5) 0.3680(2) 0.0319(8) Uani 1 1 d .
H2 H 0.5668 0.5901 0.3385 0.038 Uiso 1 1 calc R
C3 C 0.61594(13) 0.4242(4) 0.4246(2) 0.0242(7) Uani 1 1 d .
C4 C 0.61594(15) 0.2883(5) 0.4672(2) 0.0280(7) Uani 1 1 d .
H4 H 0.6475 0.2391 0.5079 0.034 Uiso 1 1 calc R
C5 C 0.56987(15) 0.2254(5) 0.4502(2) 0.0306(8) Uani 1 1 d .
H5 H 0.5706 0.1312 0.4793 0.037 Uiso 1 1 calc R
C6 C 0.66508(12) 0.4833(4) 0.4367(2) 0.0239(6) Uani 1 1 d .
C7 C 0.66508(14) 0.5776(5) 0.3796(2) 0.0263(7) Uani 1 1 d .
H7 H 0.6336 0.6155 0.3341 0.032 Uiso 1 1 calc R
C8 C 0.71189(14) 0.6161(4) 0.3897(2) 0.0255(7) Uani 1 1 d .
C9 C 0.75671(13) 0.5626(5) 0.4594(2) 0.0259(7) Uani 1 1 d .
H9 H 0.7894 0.5858 0.4688 0.031 Uiso 1 1 calc R
C10 C 0.75348(13) 0.4751(4) 0.5153(2) 0.0235(6) Uani 1 1 d .
C11 C 0.79988(13) 0.4227(4) 0.5927(2) 0.0245(7) Uani 1 1 d .
C12 C 0.85006(14) 0.4666(5) 0.6171(2) 0.0283(7) Uani 1 1 d .
H12 H 0.8558 0.5306 0.5837 0.034 Uiso 1 1 calc R
C13 C 0.89095(14) 0.4154(5) 0.6904(2) 0.0300(8) Uani 1 1 d .
H13 H 0.9247 0.4431 0.7055 0.036 Uiso 1 1 calc R
C14 C 0.83775(16) 0.2886(5) 0.7187(3) 0.0313(8) Uani 1 1 d .
H14A H 0.8333 0.2273 0.7541 0.038 Uiso 1 1 calc R
C15 C 0.79476(15) 0.3318(5) 0.6462(2) 0.0285(8) Uani 1 1 d .
H15 H 0.7616 0.2998 0.6325 0.034 Uiso 1 1 calc R
C16 C 0.71295(15) 0.7076(4) 0.3278(2) 0.0258(7) Uani 1 1 d .
C17 C 0.75600(17) 0.8003(4) 0.3456(3) 0.0317(8) Uani 1 1 d .
H17 H 0.7855 0.8028 0.3983 0.038 Uiso 1 1 calc R
C18 C 0.75653(17) 0.8888(5) 0.2878(3) 0.0385(9) Uani 1 1 d .
H18 H 0.7863 0.9507 0.3013 0.046 Uiso 1 1 calc R
C19 C 0.71392(19) 0.8875(6) 0.2106(3) 0.0414(10) Uani 1 1 d .
H19 H 0.7141 0.9494 0.1711 0.050 Uiso 1 1 calc R
C20 C 0.6709(2) 0.7947(6) 0.1914(3) 0.0404(10) Uani 1 1 d .
H20 H 0.6417 0.7915 0.1384 0.048 Uiso 1 1 calc R
C21 C 0.67048(17) 0.7065(5) 0.2494(3) 0.0350(9) Uani 1 1 d .
H21 H 0.6407 0.6442 0.2356 0.042 Uiso 1 1 calc R
C22 C 0.39319(16) 0.2510(6) 0.4616(3) 0.0393(9) Uani 1 1 d .
C23 C 0.4602(3) -0.1890(6) 0.3367(4) 0.0556(15) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -4.2923 7.6849 '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
N1 Hg1 N3 108.25(12) . 8_455
N1 Hg1 S1 111.11(9) . .
N3 Hg1 S1 104.03(9) 8_455 .
N1 Hg1 S2 102.64(8) . .
N3 Hg1 S2 102.99(8) 8_455 .
S1 Hg1 S2 126.63(4) . .
C22 S1 Hg1 96.62(16) . .
C23 S2 Hg1 100.11(18) . .
C1 N1 C5 117.5(3) . .
C1 N1 Hg1 122.0(3) . .
C5 N1 Hg1 120.1(3) . .
C6 N2 C10 117.8(3) . .
C13 N3 C14 117.3(3) . .
C13 N3 Hg1 124.3(3) . 8_556
C14 N3 Hg1 116.1(3) . 8_556
N1 C1 C2 122.9(4) . .
N1 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C1 C2 C3 119.4(3) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 117.4(3) . .
C4 C3 C6 120.4(3) . .
C2 C3 C6 122.1(3) . .
C5 C4 C3 119.6(3) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
N1 C5 C4 123.1(4) . .
N1 C5 H5 118.5 . .
C4 C5 H5 118.5 . .
N2 C6 C7 123.1(3) . .
N2 C6 C3 115.6(3) . .
C7 C6 C3 121.3(3) . .
C6 C7 C8 119.5(3) . .
C6 C7 H7 120.3 . .
C8 C7 H7 120.3 . .
C9 C8 C7 117.1(3) . .
C9 C8 C16 122.2(3) . .
C7 C8 C16 120.7(3) . .
C10 C9 C8 119.8(3) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
N2 C10 C9 122.6(3) . .
N2 C10 C11 114.9(3) . .
C9 C10 C11 122.4(3) . .
C15 C11 C12 116.8(3) . .
C15 C11 C10 120.4(3) . .
C12 C11 C10 122.7(3) . .
C13 C12 C11 119.1(3) . .
C13 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
N3 C13 C12 123.7(3) . .
N3 C13 H13 118.1 . .
C12 C13 H13 118.1 . .
N3 C14 C15 123.0(4) . .
N3 C14 H14A 118.5 . .
C15 C14 H14A 118.5 . .
C14 C15 C11 120.1(4) . .
C14 C15 H15 120.0 . .
C11 C15 H15 120.0 . .
C21 C16 C17 117.5(4) . .
C21 C16 C8 121.1(4) . .
C17 C16 C8 121.4(4) . .
C18 C17 C16 121.3(4) . .
C18 C17 H17 119.3 . .
C16 C17 H17 119.3 . .
C19 C18 C17 120.4(4) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 119.3(4) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
C21 C20 C19 120.1(5) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C20 C21 C16 121.4(4) . .
C20 C21 H21 119.3 . .
C16 C21 H21 119.3 . .
N4 C22 S1 177.4(5) . .
N5 C23 S2 177.4(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 N1 2.308(3) .
Hg1 N3 2.362(3) 8_455
Hg1 S1 2.4556(10) .
Hg1 S2 2.4730(11) .
S1 C22 1.678(5) .
S2 C23 1.632(6) .
N1 C1 1.338(5) .
N1 C5 1.340(5) .
N2 C6 1.341(5) .
N2 C10 1.344(5) .
N3 C13 1.337(5) .
N3 C14 1.343(5) .
N3 Hg1 2.362(3) 8_556
N4 C22 1.142(7) .
N5 C23 1.156(9) .
C1 C2 1.387(5) .
C1 H1 0.9500 .
C2 C3 1.391(5) .
C2 H2 0.9500 .
C3 C4 1.390(5) .
C3 C6 1.496(5) .
C4 C5 1.378(6) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.391(5) .
C7 C8 1.400(5) .
C7 H7 0.9500 .
C8 C9 1.395(5) .
C8 C16 1.479(5) .
C9 C10 1.392(5) .
C9 H9 0.9500 .
C10 C11 1.489(5) .
C11 C15 1.397(5) .
C11 C12 1.404(5) .
C12 C13 1.380(5) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.376(6) .
C14 H14A 0.9500 .
C15 H15 0.9500 .
C16 C21 1.397(6) .
C16 C17 1.397(6) .
C17 C18 1.387(6) .
C17 H17 0.9500 .
C18 C19 1.384(7) .
C18 H18 0.9500 .
C19 C20 1.389(7) .
C19 H19 0.9500 .
C20 C21 1.389(6) .
C20 H20 0.9500 .
C21 H21 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
N1 Hg1 S1 C22 -144.08(18) .
N3 Hg1 S1 C22 99.65(18) 8_455
S2 Hg1 S1 C22 -18.67(17) .
N1 Hg1 S2 C23 -81.9(3) .
N3 Hg1 S2 C23 30.5(3) 8_455
S1 Hg1 S2 C23 149.3(3) .
N3 Hg1 N1 C1 47.6(3) 8_455
S1 Hg1 N1 C1 -66.0(3) .
S2 Hg1 N1 C1 156.1(3) .
N3 Hg1 N1 C5 -139.0(3) 8_455
S1 Hg1 N1 C5 107.4(3) .
S2 Hg1 N1 C5 -30.5(3) .
C5 N1 C1 C2 1.9(6) .
Hg1 N1 C1 C2 175.5(3) .
N1 C1 C2 C3 -0.4(6) .
C1 C2 C3 C4 -1.9(6) .
C1 C2 C3 C6 174.6(4) .
C2 C3 C4 C5 2.6(6) .
C6 C3 C4 C5 -173.9(3) .
C1 N1 C5 C4 -1.1(6) .
Hg1 N1 C5 C4 -174.8(3) .
C3 C4 C5 N1 -1.2(6) .
C10 N2 C6 C7 -0.7(5) .
C10 N2 C6 C3 176.4(3) .
C4 C3 C6 N2 -18.5(5) .
C2 C3 C6 N2 165.1(3) .
C4 C3 C6 C7 158.6(4) .
C2 C3 C6 C7 -17.7(5) .
N2 C6 C7 C8 3.2(5) .
C3 C6 C7 C8 -173.7(3) .
C6 C7 C8 C9 -2.7(5) .
C6 C7 C8 C16 176.4(3) .
C7 C8 C9 C10 -0.1(5) .
C16 C8 C9 C10 -179.2(3) .
C6 N2 C10 C9 -2.3(5) .
C6 N2 C10 C11 177.1(3) .
C8 C9 C10 N2 2.7(5) .
C8 C9 C10 C11 -176.6(3) .
N2 C10 C11 C15 2.0(5) .
C9 C10 C11 C15 -178.6(3) .
N2 C10 C11 C12 -175.3(3) .
C9 C10 C11 C12 4.1(5) .
C15 C11 C12 C13 1.5(5) .
C10 C11 C12 C13 178.9(3) .
C14 N3 C13 C12 1.1(6) .
Hg1 N3 C13 C12 -160.7(3) 8_556
C11 C12 C13 N3 -1.9(6) .
C13 N3 C14 C15 0.0(6) .
Hg1 N3 C14 C15 163.4(3) 8_556
N3 C14 C15 C11 -0.3(6) .
C12 C11 C15 C14 -0.4(5) .
C10 C11 C15 C14 -177.9(3) .
C9 C8 C16 C21 156.3(4) .
C7 C8 C16 C21 -22.8(5) .
C9 C8 C16 C17 -24.7(5) .
C7 C8 C16 C17 156.2(4) .
C21 C16 C17 C18 0.4(6) .
C8 C16 C17 C18 -178.7(3) .
C16 C17 C18 C19 0.2(6) .
C17 C18 C19 C20 -0.9(6) .
C18 C19 C20 C21 1.0(7) .
C19 C20 C21 C16 -0.5(7) .
C17 C16 C21 C20 -0.2(6) .
C8 C16 C21 C20 178.8(4) .
Hg1 S1 C22 N4 -179(100) .
Hg1 S2 C23 N5 -130(14) .
