#------------------------------------------------------------------------------
#$Date: 2018-03-14 09:11:19 +0200 (Wed, 14 Mar 2018) $
#$Revision: 206944 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/24/2242427.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2242427
loop_
_publ_author_name
'Oxley, Benjamin M.'
'Mash, Brandon'
'Zeller, Matthias'
'Banziger, Susannah'
'Ren, Tong'
_publ_section_title
;
 Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane
 cobalt(III) mono-phenylacetylide and bis-phenylacetylide
;
_journal_coeditor_code           VM2209
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              522
_journal_page_last               529
_journal_paper_doi               10.1107/S2056989018003997
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac
'[Co (C8 H5) Cl (C12 H28 N4)] Cl, C2 H3 N, C H4 O'
_chemical_formula_moiety         'C20 H33 Cl Co N4 +, Cl -, C2 H3 N, C H4 O'
_chemical_formula_sum            'C23 H40 Cl2 Co N5 O'
_chemical_formula_weight         532.43
_chemical_name_systematic
'Chlorido(5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)(phenylethynyl)cobalt(III) chloride--acetonitrile--methanol (1/1/1)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                86.430(5)
_cell_angle_beta                 74.848(4)
_cell_angle_gamma                88.970(5)
_cell_formula_units_Z            4
_cell_length_a                   9.6903(13)
_cell_length_b                   15.668(2)
_cell_length_c                   17.985(2)
_cell_measurement_reflns_used    9887
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.3695
_cell_measurement_theta_min      3.0510
_cell_volume                     2630.6(6)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015) and
<i>SHELXLE</i> (H\"ubschle <i>et al.</i>,  2011)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0953
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            44192
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.680
_diffrn_reflns_theta_min         2.987
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_T_max  0.2627
_exptl_absorpt_correction_T_min  0.1896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_description       plate
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.927
_refine_diff_density_min         -1.405
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         9687
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0867
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0698P)^2^+11.8383P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2119
_refine_ls_wR_factor_ref         0.2410
_reflns_number_gt                7643
_reflns_number_total             9687
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            vm2209sup1.cif
_cod_data_source_block           1
_cod_database_code               2242427
_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   0.742
_shelx_estimated_absorpt_t_max   0.925
_shelx_hkl_file
;
  -2   0   0 214.338 28.2102   2
  -2   0   0 196.598 28.2217   2
  -2   0   0 353.965 30.3015   1
   2   0   0 205.269 28.2228   2
   2   0   0 202.840 28.2165   2
   2   0   0 341.213 30.6625   1
  -3   0   0 462.585 55.1583   2
  -3   0   0 477.028 55.1694   2
  -3   0   0 496.697 56.4407   1
   3   0   0 504.974 56.4940   1
   3   0   0 467.417 55.1626   2
   3   0   0 478.578 55.1683   2
  -4   0   0 249.570 30.4969   1
  -4   0   0 242.731 28.4454   2
  -4   0   0 228.511 28.4476   2
   4   0   0 270.214 30.6878   1
   4   0   0 238.140 28.4475   2
   4   0   0 256.986 28.4573   2
  -5   0   0 744.100 69.2108   1
  -5   0   0 470.162 64.9704   2
  -5   0   0 480.305 64.9679   2
   5   0   0 503.880 64.9742   2
   5   0   0 482.627 64.9672   2
   5   0   0 777.822 69.3543   1
  -6   0   0 196.170 25.8592   2
  -6   0   0 190.329 25.8608   2
  -6   0   0 312.187 33.5039   1
   6   0   0 324.580 33.4934   1
   6   0   0 204.369 25.8655   2
   6   0   0 202.452 25.8565   2
  -7   0   0 34.5126 12.4457   1
  -7   0   0 30.4687 4.30363   2
  -7   0   0 22.4205 4.44992   2
   7   0   0 33.8323 11.6250   1
   7   0   0 25.1130 4.31555   2
   7   0   0 27.0178 4.35938   2
  -8   0   0 45.5697 5.98891   2
  -8   0   0 37.6638 6.10077   2
  -8   0   0 38.3798 12.7068   1
   8   0   0 42.5405 5.93100   2
   8   0   0 39.2650 5.92423   2
   8   0   0 42.0526 5.23838   3
  -9   0   0 8.64064 15.1144   1
  -9   0   0 7.85323 2.25034   2
  -9   0   0 12.0166 3.96933   2
   9   0   0 14.3580 2.53753   3
   9   0   0 11.3730 4.04008   2
   9   0   0 14.5700 3.86930   2
   9   0   0 12.4589 14.5982   1
 -10   0   0 12.5552 16.9461   1
 -10   0   0 19.0485 4.71314   2
 -10   0   0 17.0580 5.01538   2
  10   0   0 16.8916 3.20763   3
  10   0   0 9.58450 13.3374   1
  10   0   0 17.9821 4.68897   2
  10   0   0 20.8600 5.46348   2
 -11   0   0 2.65423 2.27160   2
 -11   0   0 2.32543 14.7925   1
 -11   0   0 1.00835 2.36184   2
  11   0   0 -1.8191 2.12583   2
  11   0   0 -0.6855 12.3330   1
  11   0   0 0.72289 1.03993   3
  11   0   0 -0.8500 2.05863   2
 -12   0   0 3.03972 2.53827   2
  12   0   0 3.14081 2.51516   2
  12   0   0 1.37407 2.51887   2
  12  -1   0 16.5764 5.48693   2
  12  -1   0 7.61977 2.83348   2
 -12   1   0 11.6915 2.95981   2
  11  -1   0 -2.7882 11.9015   1
  11  -1   0 1.74488 2.26291   2
  11  -1   0 4.04132 2.27311   2
 -11   1   0 -12.118 21.9384   1
 -11   1   0 3.92074 2.28381   2
 -11   1   0 4.26497 2.31871   2
  10  -1   0 41.9199 6.18801   2
  10  -1   0 17.3161 13.2706   1
  10  -1   0 33.4743 6.64564   2
 -10   1   0 27.8028 14.1916   1
 -10   1   0 37.4679 6.17114   2
 -10   1   0 38.0537 6.44557   2
   9  -1   0 14.2776 4.04904   2
   9  -1   0 12.6515 2.53631   3
   9  -1   0 15.1797 15.3795   1
   9  -1   0 13.0485 3.99242   2
  -9   1   0 12.4329 10.8904   1
  -9   1   0 14.7569 3.97930   2
  -9   1   0 8.69890 2.35352   2
   8  -1   0 15.4086 2.60256   3
   8  -1   0 12.3680 3.78416   2
   8  -1   0 17.7887 3.85908   2
   8  -1   0 8.42385 9.45803   1
  -8   1   0 11.8432 4.07099   2
  -8   1   0 9.76355 9.53272   1
  -8   1   0 16.0998 3.80090   2
   7  -1   0 10.2009 3.21223   2
   7  -1   0 12.5150 3.25349   2
   7  -1   0 11.4764 2.12289   3
   7  -1   0 6.48626 11.4014   1
  -7   1   0 7.11552 7.76076   1
  -7   1   0 9.81106 3.18968   2
  -7   1   0 9.69305 3.47476   2
   6  -1   0 180.345 22.7565   1
   6  -1   0 114.949 13.7778   2
   6  -1   0 111.518 13.5504   3
   6  -1   0 118.292 13.7953   2
  -6   1   0 106.328 13.8043   2
  -6   1   0 114.262 13.7858   2
  -6   1   0 115.320 19.1395   1
   5  -1   0 382.396 34.4338   1
   5  -1   0 243.026 28.1297   2
   5  -1   0 226.769 28.1179   2
   5  -1   0 216.718 28.0024   3
  -5   1   0 236.479 30.8033   1
  -5   1   0 228.700 28.1171   2
  -5   1   0 222.396 28.1318   2
   4  -1   0 70.6362 8.46536   2
   4  -1   0 69.5255 8.46503   2
   4  -1   0 76.2920 12.0511   1
  -4   1   0 95.3580 15.2321   1
  -4   1   0 68.7373 8.44821   2
  -4   1   0 65.9873 8.52266   2
   3  -1   0 209.697 25.8637   3
   3  -1   0 218.221 25.9361   2
   3  -1   0 223.971 27.4687   1
   3  -1   0 218.653 25.9354   2
  -3   1   0 211.405 25.9431   2
  -3   1   0 212.575 25.9303   2
  -3   1   0 299.313 28.9901   1
   2  -1   0 24.5796 2.83398   2
   2  -1   0 18.4314 2.82734   2
   2  -1   0 17.6292 2.59561   3
   2  -1   0 20.3406 5.65506   1
  -2   1   0 18.7798 5.73086   1
  -2   1   0 31.2728 2.80141   2
  -2   1   0 15.4079 2.90227   2
  -2  -1   0 78.1934 10.5939   2
  -2  -1   0 99.2877 10.5841   2
  -2  -1   0 105.139 12.2620   1
   2   1   0 87.9409 10.6053   2
   2   1   0 88.2556 10.6020   2
   2   1   0 93.7648 12.4144   1
  -3  -1   0 175.254 18.3201   1
  -3  -1   0 100.849 13.9820   2
  -3  -1   0 111.765 13.9753   2
   3   1   0 152.524 17.4707   1
   3   1   0 107.541 13.9796   2
   3   1   0 114.237 13.9851   2
  -4  -1   0 27.0075 4.13523   2
  -4  -1   0 31.3713 9.18323   1
  -4  -1   0 30.2902 4.12599   2
   4   1   0 33.6599 8.94598   1
   4   1   0 34.2755 4.14717   2
   4   1   0 31.1677 4.15480   2
  -5  -1   0 1.38229 1.08308   2
  -5  -1   0 2.52458 5.32655   1
  -5  -1   0 1.75274 1.02566   2
   5   1   0 2.22514 1.06975   2
   5   1   0 0.24062 5.35333   1
   5   1   0 1.62174 1.01787   2
  -6  -1   0 97.8892 12.1443   2
  -6  -1   0 94.8581 17.2667   1
  -6  -1   0 107.284 12.1436   2
   6   1   0 84.2580 16.9167   1
   6   1   0 105.956 12.1394   2
   6   1   0 111.562 12.1482   2
  -7  -1   0 23.1768 4.04410   2
  -7  -1   0 23.5555 4.01383   2
  -7  -1   0 12.1722 10.1235   1
   7   1   0 23.1701 3.94900   2
   7   1   0 23.1829 4.03865   2
   7   1   0 13.9921 8.84355   1
  -8  -1   0 44.1223 6.52872   2
  -8  -1   0 36.2677 12.0689   1
  -8  -1   0 52.1380 6.43456   2
   8   1   0 38.2113 11.4602   1
   8   1   0 47.1530 6.52176   2
   8   1   0 48.2372 6.46826   2
  -9  -1   0 5.24687 2.11434   2
  -9  -1   0 2.18876 10.4244   1
  -9  -1   0 12.6227 3.94775   2
   9   1   0 14.2132 3.96676   2
   9   1   0 15.2829 4.05019   2
   9   1   0 9.43840 10.0230   1
 -10  -1   0 6.27094 2.10231   2
 -10  -1   0 2.87379 1.96577   2
 -10  -1   0 5.31465 15.9936   1
  10   1   0 3.61738 11.1581   1
  10   1   0 2.02162 1.99541   2
  10   1   0 3.74992 2.01825   2
  10   1   0 3.14781 1.19794   3
 -11  -1   0 2.87440 2.13863   2
 -11  -1   0 2.41407 2.34253   2
 -11  -1   0 7.17414 17.3368   1
  11   1   0 -11.219 16.0441   1
  11   1   0 2.51733 1.15656   3
  11   1   0 1.89367 2.17662   2
  11   1   0 3.17607 2.22163   2
 -12  -1   0 4.01614 2.62271   2
  12   1   0 3.80518 2.51367   2
  12   1   0 3.37462 1.27035   3
  12   1   0 4.61330 2.55758   2
  12  -2   0 9.58280 3.14419   2
  12  -2   0 17.1594 5.82490   2
 -12   2   0 18.6867 5.88340   2
  11  -2   0 4.27052 2.36743   2
  11  -2   0 4.81788 2.13778   2
  11  -2   0 7.48784 14.9366   1
 -11   2   0 5.38340 2.42481   2
 -11   2   0 -5.8790 14.3142   1
 -11   2   0 1.33900 2.49031   2
  10  -2   0 19.5673 5.27600   2
  10  -2   0 28.1890 5.06287   2
  10  -2   0 18.7601 17.5864   1
 -10   2   0 14.3826 13.8079   1
 -10   2   0 19.8778 5.24485   2
 -10   2   0 20.1485 5.55917   2
   9  -2   0 94.5739 11.3863   2
   9  -2   0 89.6900 11.3341   2
   9  -2   0 73.3133 20.7474   1
  -9   2   0 94.8662 11.5679   2
  -9   2   0 86.7389 24.0121   1
  -9   2   0 96.3467 11.4263   2
   8  -2   0 4.55233 1.66069   2
   8  -2   0 4.46237 1.67197   2
   8  -2   0 7.83846 12.9781   1
  -8   2   0 3.75717 1.76853   2
  -8   2   0 5.37117 1.73908   2
  -8   2   0 7.12367 9.12952   1
   7  -2   0 54.5974 6.79272   2
   7  -2   0 57.4718 20.3976   1
   7  -2   0 50.2993 6.80792   2
  -7   2   0 52.9642 6.94264   2
  -7   2   0 49.5377 6.81062   2
  -7   2   0 57.2818 15.2292   1
   6  -2   0 161.635 18.1544   2
   6  -2   0 141.229 17.9444   3
   6  -2   0 159.169 18.1433   2
   6  -2   0 161.761 22.1854   1
  -6   2   0 157.407 22.5552   1
  -6   2   0 154.638 18.1807   2
  -6   2   0 158.035 18.1433   2
   5  -2   0 7.02486 2.35424   2
   5  -2   0 6.83167 2.36197   2
   5  -2   0 6.21154 1.46111   3
   5  -2   0 11.5326 8.41551   1
  -5   2   0 6.12727 1.40476   2
  -5   2   0 6.41402 2.30362   2
  -5   2   0 11.4804 8.26266   1
   4  -2   0 434.880 53.8487   2
   4  -2   0 599.800 56.9393   1
   4  -2   0 419.979 53.8400   2
  -4   2   0 557.514 56.9677   1
  -4   2   0 406.564 53.8420   2
  -4   2   0 422.231 53.8555   2
   3  -2   0 83.3796 9.86772   2
   3  -2   0 89.2750 12.1933   1
   3  -2   0 83.7600 9.85423   2
  -3   2   0 85.7192 9.86772   2
  -3   2   0 79.1977 9.88955   2
  -3   2   0 87.9630 12.6272   1
   2  -2   0 154.740 19.3523   2
   2  -2   0 154.262 19.3474   2
   2  -2   0 251.661 22.0590   1
  -2   2   0 157.039 19.3504   2
  -2   2   0 164.207 20.6118   1
  -2   2   0 148.460 19.3639   2
   1  -2   0 2760.17 274.577   1
  -1   2   0 2025.80 274.605   1
  -2  -2   0 275.937 24.4357   1
  -2  -2   0 189.517 22.1616   2
  -2  -2   0 135.835 22.1587   2
   2   2   0 178.778 22.1688   2
   2   2   0 257.900 24.3517   1
   2   2   0 152.252 22.1550   2
  -3  -2   0 516.507 67.0600   2
  -3  -2   0 597.434 67.0770   2
  -3  -2   0 639.643 68.4698   1
   3   2   0 585.247 67.0761   2
   3   2   0 554.805 67.0658   2
   3   2   0 619.261 68.3375   1
  -4  -2   0 1532.33 217.574   2
  -4  -2   0 1792.58 217.616   2
  -4  -2   0 2530.87 220.005   1
   4   2   0 1708.58 217.590   2
   4   2   0 1782.13 217.605   2
   4   2   0 2066.97 219.121   1
  -5  -2   0 490.521 71.7371   2
  -5  -2   0 857.684 75.9943   1
  -5  -2   0 569.897 71.7557   2
   5   2   0 740.156 74.8370   1
   5   2   0 569.446 71.7576   2
   5   2   0 565.848 71.7592   2
  -6  -2   0 299.586 39.6531   2
  -6  -2   0 329.296 39.6639   2
  -6  -2   0 396.626 44.6245   1
   6   2   0 391.750 43.6698   1
   6   2   0 328.000 39.6669   2
   6   2   0 341.461 39.6753   2
  -7  -2   0 28.0850 4.27132   2
  -7  -2   0 12.1638 8.85865   1
   7   2   0 11.4584 8.73251   1
   7   2   0 23.7316 4.28356   2
   7   2   0 28.5198 4.24381   2
  -8  -2   0 63.7871 21.4342   1
  -8  -2   0 74.0079 8.91831   2
  -8  -2   0 69.4250 8.86834   2
   8   2   0 70.2201 8.88448   2
   8   2   0 50.5074 18.3073   1
   8   2   0 70.0722 8.89676   2
  -9  -2   0 1.41505 9.92959   1
  -9  -2   0 -1.0411 1.78844   2
  -9  -2   0 -0.9683 1.64584   2
   9   2   0 -0.8857 1.74092   2
   9   2   0 -0.2611 9.90684   1
   9   2   0 -0.3871 1.72475   2
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   5   0   1 325.021 38.4013   2
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   8   0   1 58.0537 7.38413   2
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   9  -1  -1 33.0275 5.52531   2
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   8  -1  -1 26.9466 4.69833   2
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   7  -1  -1 94.3432 17.5145   1
   7  -1  -1 94.2549 11.2803   2
   7  -1  -1 94.9218 11.3204   2
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   6  -1  -1 8.56071 1.94016   3
   6  -1  -1 10.8080 2.82398   2
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   6  -1  -1 11.1228 2.83656   2
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   5  -1  -1 266.096 32.4900   2
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   5  -1  -1 273.633 32.4861   2
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   4  -1  -1 260.948 30.9029   2
   4  -1  -1 255.519 30.9049   2
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  -4   1   1 245.660 30.9188   2
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   3  -1  -1 18.4918 2.56920   2
   3  -1  -1 17.7319 2.64005   2
   3  -1  -1 28.5730 9.83033   1
  -3   1   1 12.8904 2.67804   2
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   2  -1  -1 368.076 42.1194   2
   2  -1  -1 339.831 42.0821   3
   2  -1  -1 342.972 42.1119   2
   2  -1  -1 390.107 43.0119   1
  -2   1   1 366.334 42.1139   2
  -2   1   1 425.779 43.2087   1
  -2   1   1 341.249 42.1238   2
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  -1   1   1 -0.8620 1.42575   1
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   2   1   1 1694.90 240.515   1
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   3   1   1 54.7664 11.3870   1
   3   1   1 45.7280 5.64167   2
   3   1   1 45.4840 5.65089   2
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   4   1   1 259.348 30.1310   1
   4   1   1 241.706 27.9419   2
   4   1   1 245.132 27.9336   2
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   5   1   1 65.3083 15.7883   1
   5   1   1 43.6223 6.12843   2
   5   1   1 51.8966 6.14582   2
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   6   1   1 303.234 36.9020   1
   6   1   1 295.627 33.6590   2
   6   1   1 300.130 33.6659   2
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   7   1   1 26.4674 9.78119   1
   7   1   1 35.9103 5.20769   2
   7   1   1 42.1171 5.28727   2
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   8   1   1 39.2456 5.51262   2
   8   1   1 34.6252 5.54135   2
   8   1   1 19.7734 10.2488   1
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   9   1   1 69.2772 9.09021   2
   9   1   1 72.5258 9.06497   2
   9   1   1 58.1928 18.8757   1
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  10   1   1 -0.3016 16.1797   1
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  11   1   1 6.16000 14.2514   1
  11   1   1 2.78829 2.24801   2
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   9  -2  -1 50.7901 6.92618   2
   9  -2  -1 46.4858 6.87173   2
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  -9   2   1 48.0450 7.25733   2
  -9   2   1 87.3145 28.9261   1
   8  -2  -1 1.01110 1.46254   2
   8  -2  -1 0.99189 1.52789   2
   8  -2  -1 0.65534 8.57907   1
  -8   2   1 2.67124 1.56742   2
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  -8   2   1 0.51057 1.65785   2
   7  -2  -1 155.632 17.8731   2
   7  -2  -1 148.742 23.3053   1
   7  -2  -1 149.563 17.8614   2
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  -7   2   1 151.138 17.9264   2
   6  -2  -1 31.0119 4.37157   2
   6  -2  -1 30.5549 4.36784   2
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   6  -2  -1 23.3401 7.95195   1
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   5  -2  -1 19.3841 3.02721   2
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   5  -2  -1 22.5997 6.66381   1
   5  -2  -1 18.3754 3.05642   2
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   4  -2  -1 555.389 75.0852   2
   4  -2  -1 549.160 75.0790   2
   4  -2  -1 911.095 78.4246   1
  -4   2   1 884.851 78.4895   1
  -4   2   1 544.005 75.0850   2
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   3  -2  -1 278.715 34.2330   1
   3  -2  -1 263.938 32.8623   2
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   2  -2  -1 410.568 42.7284   1
   2  -2  -1 349.158 41.5695   2
   2  -2  -1 354.593 41.5713   2
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   1  -2  -1 327.284 24.0632   1
   1  -2  -1 182.907 22.0393   2
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   3   2   1 628.472 91.5109   2
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   3   2   1 1124.79 93.8343   1
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   4   2   1 156.526 20.3952   1
   4   2   1 157.365 17.7129   2
   4   2   1 157.270 17.7284   2
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   5   2   1 276.328 32.2287   2
   5   2   1 252.086 34.7575   1
   5   2   1 273.224 32.2172   2
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   6   2   1 844.687 95.8588   2
   6   2   1 841.299 98.2413   1
   6   2   1 864.563 95.8631   2
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  -7  -2  -1 390.108 49.1514   2
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   7   2   1 576.823 56.4520   1
   7   2   1 403.006 49.1631   2
   7   2   1 420.659 49.1794   2
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  -8  -2  -1 123.613 24.1004   1
   8   2   1 135.686 16.8106   2
   8   2   1 174.617 33.5512   1
   8   2   1 141.059 16.8237   2
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   9   2   1 10.0509 13.4304   1
   9   2   1 19.4656 4.61586   2
   9   2   1 15.3181 4.54993   2
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  11   2   1 2.19552 2.12785   2
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   9  -3  -1 47.0201 6.58619   2
   9  -3  -1 50.6207 6.61178   2
   9  -3  -1 27.8125 12.9663   1
  -9   3   1 28.0400 13.5453   1
  -9   3   1 42.7328 7.01506   2
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   8  -3  -1 0.73026 1.50168   2
   8  -3  -1 -1.5706 8.67247   1
   8  -3  -1 1.47737 1.56309   2
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   7  -3  -1 6.22809 7.68647   1
   7  -3  -1 11.7772 3.32215   2
   7  -3  -1 9.97944 3.30091   2
  -7   3   1 10.7451 3.39945   2
  -7   3   1 6.88057 14.4543   1
  -7   3   1 11.2800 3.73108   2
   6  -3  -1 191.927 24.4309   1
   6  -3  -1 129.903 15.6745   2
   6  -3  -1 125.831 15.6649   2
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  -6   3   1 125.452 15.6817   2
  -6   3   1 121.588 15.7298   2
   5  -3  -1 4.11630 1.14484   2
   5  -3  -1 3.79897 1.06032   2
   5  -3  -1 7.17745 5.42273   1
  -5   3   1 3.19878 5.75095   1
  -5   3   1 3.37454 1.17419   2
  -5   3   1 3.47418 1.26238   2
   4  -3  -1 48.7793 5.66157   2
   4  -3  -1 47.4758 5.63274   2
   4  -3  -1 44.2598 9.85681   1
  -4   3   1 45.2481 5.68819   2
  -4   3   1 42.3953 10.4403   1
  -4   3   1 41.2994 5.75273   2
   3  -3  -1 54.7972 6.52014   2
   3  -3  -1 53.7249 6.52904   2
   3  -3  -1 55.8973 9.79136   1
  -3   3   1 55.6090 6.54955   2
  -3   3   1 51.7728 6.58857   2
  -3   3   1 57.2868 6.38831   3
  -3   3   1 53.2405 9.79393   1
   2  -3  -1 1786.40 200.958   1
  -2   3   1 1707.82 200.900   1
   1  -3  -1 13.2492 2.92030   2
   1  -3  -1 31.3013 8.78312   1
   1  -3  -1 23.7607 2.95088   2
  -1   3   1 24.2482 6.01229   1
  -1   3   1 27.0216 2.91077   2
   0  -3  -1 19.8526 6.64314   1
   0  -3  -1 19.6907 2.54818   2
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  -1  -3  -1 104.216 13.2398   1
   1   3   1 103.654 11.6610   2
   1   3   1 92.1758 13.3399   1
   1   3   1 94.2891 11.6791   2
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  -2  -3  -1 146.796 16.9066   1
  -2  -3  -1 113.436 15.1658   2
   2   3   1 134.447 15.1564   2
   2   3   1 147.211 17.0658   1
   2   3   1 116.764 15.1609   2
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  -3  -3  -1 495.479 52.7244   1
  -3  -3  -1 401.715 51.2044   2
   3   3   1 449.731 51.2107   2
   3   3   1 410.758 51.2022   2
   3   3   1 484.733 52.6034   1
  -4  -3  -1 75.7108 9.33306   2
  -4  -3  -1 75.7573 9.33858   2
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   4   3   1 73.6571 9.33422   2
   4   3   1 80.5071 9.34204   2
   4   3   1 74.4629 12.9266   1
  -5  -3  -1 89.9671 12.4904   2
  -5  -3  -1 160.059 21.4925   1
  -5  -3  -1 106.575 12.5364   2
   5   3   1 104.218 12.4968   2
   5   3   1 106.436 12.5061   2
   5   3   1 106.848 16.3912   1
  -6  -3  -1 23.8074 3.92498   2
  -6  -3  -1 25.8871 3.82209   2
  -6  -3  -1 10.6881 7.83631   1
   6   3   1 22.7217 3.84914   2
   6   3   1 14.9414 7.43963   1
   6   3   1 23.3972 3.85265   2
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   7   3   1 134.510 15.2957   2
   7   3   1 131.465 15.2857   2
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   8   3   1 98.9096 25.4403   1
   8   3   1 89.6537 10.9692   2
   8   3   1 89.2981 10.9748   2
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  -9  -3  -1 64.1122 8.40261   2
   9   3   1 63.9699 8.30878   2
   9   3   1 52.4365 18.4105   1
   9   3   1 64.8490 8.26426   2
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  10   3   1 25.0607 14.3406   1
  10   3   1 39.6179 6.35200   2
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  11   3   1 7.28070 2.42933   2
  11   3   1 11.4331 13.3994   1
  11   3   1 5.54004 2.48078   2
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  12  -4  -1 6.00745 2.84421   2
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   9  -4  -1 27.3471 5.32772   2
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   8  -4  -1 110.795 13.6731   2
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   6  -4  -1 43.7367 14.0631   1
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   5  -4  -1 42.7998 5.44636   2
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   5  -4  -1 43.4627 11.0242   1
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  -4   4   1 129.655 14.6319   3
  -4   4   1 127.406 14.7664   2
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   3  -4  -1 399.202 41.5197   1
   3  -4  -1 337.583 39.4080   2
  -3   4   1 332.096 40.9263   1
  -3   4   1 327.906 39.4001   2
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   2  -4  -1 40.2142 8.07453   1
   2  -4  -1 33.6661 4.24703   2
   2  -4  -1 34.7499 4.23750   2
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   1  -4  -1 605.661 52.4160   1
   1  -4  -1 383.190 50.4852   2
  -1   4   1 378.559 50.4779   2
  -1   4   1 559.621 52.0347   1
  -1   4   1 374.263 50.4891   2
   0  -4  -1 210.359 21.7828   1
   0  -4  -1 165.398 20.2834   2
   0   4   1 157.446 20.2850   2
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   1   4   1 45.5510 6.12456   2
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   2   4   1 56.3216 6.95322   2
   2   4   1 56.3822 9.94191   1
   2   4   1 62.3231 6.96497   2
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   3   4   1 209.632 22.8284   1
   3   4   1 118.726 18.4856   2
   3   4   1 143.180 18.4906   2
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   4   4   1 175.021 24.1198   1
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  -5  -4  -1 838.927 101.242   2
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   5   4   1 909.684 101.256   2
   5   4   1 884.053 101.248   2
   5   4   1 877.205 103.140   1
  -6  -4  -1 561.600 65.1024   1
  -6  -4  -1 546.172 61.9846   2
  -6  -4  -1 501.902 61.9557   2
   6   4   1 543.035 61.9692   2
   6   4   1 527.202 64.5596   1
   6   4   1 557.999 61.9778   2
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  -7  -4  -1 450.193 61.4259   2
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   7   4   1 503.190 61.4585   2
   7   4   1 514.459 61.4610   2
   7   4   1 467.847 64.7561   1
  -8  -4  -1 10.5850 10.2835   1
   8   4   1 29.6924 4.86512   2
   8   4   1 10.9878 9.96871   1
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   9   4   1 4.23678 10.8303   1
 -10  -4  -1 44.4044 6.53130   2
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 -10  -4  -1 21.0563 17.3061   1
  10   4   1 36.3583 6.40032   2
  10   4   1 32.3307 6.30512   2
  10   4   1 18.6497 17.7243   1
 -11  -4  -1 2.68340 19.1363   1
 -11  -4  -1 0.50378 2.25803   2
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  11   4   1 0.50693 13.3492   1
  11   4   1 3.99150 2.37953   2
  11   4   1 4.40726 2.46724   2
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  11  -5  -1 23.2077 5.58715   2
  11  -5  -1 19.4608 5.89769   2
  11  -5  -1 6.20779 17.0482   1
 -11   5   1 12.4445 3.68593   2
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  10  -5  -1 16.1375 13.4748   1
 -10   5   1 20.7704 6.36210   2
 -10   5   1 29.2982 5.71653   2
 -10   5   1 30.6010 22.8709   1
   9  -5  -1 1.27031 10.4560   1
   9  -5  -1 2.51892 1.82897   2
   9  -5  -1 3.28567 1.92356   2
  -9   5   1 3.05613 2.17129   2
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  -9   5   1 4.16620 1.95718   2
   8  -5  -1 7.39624 1.89995   2
   8  -5  -1 7.67720 1.95738   2
   8  -5  -1 13.3655 15.9869   1
  -8   5   1 15.3874 3.94492   2
  -8   5   1 12.1420 9.95466   1
  -8   5   1 6.54285 2.14321   2
   7  -5  -1 73.6509 21.6405   1
   7  -5  -1 55.5492 7.18762   2
   7  -5  -1 51.4052 7.22954   2
  -7   5   1 58.7495 7.27964   2
  -7   5   1 47.2812 17.1442   1
  -7   5   1 54.6295 7.47687   2
   6  -5  -1 318.090 41.4033   1
   6  -5  -1 328.014 38.0961   2
   6  -5  -1 340.360 38.1135   2
  -6   5   1 337.904 38.1557   2
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  -6   5   1 346.737 38.1188   2
   5  -5  -1 22.1803 3.50377   2
   5  -5  -1 19.5634 7.48575   1
   5  -5  -1 22.6130 3.53548   2
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   4  -5  -1 1008.16 126.877   2
   4  -5  -1 1044.89 126.880   2
   4  -5  -1 1113.34 128.570   1
  -4   5   1 1448.64 130.112   1
  -4   5   1 1022.71 126.876   2
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  -4   5   1 1064.73 126.898   2
   3  -5  -1 304.326 30.1669   1
   3  -5  -1 200.101 25.4835   2
   3  -5  -1 191.637 25.4876   2
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   2  -5  -1 231.855 29.1748   2
   2  -5  -1 251.030 29.1896   2
   2  -5  -1 322.825 31.7632   1
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   1  -5  -1 10.5397 1.92329   2
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   2   5   1 476.689 56.3131   1
   2   5   1 392.749 54.9953   2
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   3   5   1 520.533 55.7521   1
   3   5   1 504.832 53.9622   2
   3   5   1 387.480 53.9384   2
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   4   5   1 15.0225 2.79945   2
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   5   5   1 40.3331 12.2467   1
   5   5   1 47.6602 6.00663   2
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   6   5   1 16.6298 3.52594   2
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   7   5   1 10.6641 9.49108   1
   7   5   1 12.8609 3.76042   2
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   8   5   1 42.0842 6.06642   2
   8   5   1 40.9887 6.07728   2
   8   5   1 29.8117 11.8181   1
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   9   5   1 29.7256 5.42077   2
   9   5   1 16.2119 12.2717   1
   9   5   1 21.3361 5.37938   2
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   9  -6  -1 58.6443 19.8606   1
   9  -6  -1 53.9477 7.30621   2
   9  -6  -1 47.3805 7.14684   2
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  -9   6   1 30.0273 14.4919   1
  -9   6   1 57.1406 7.39275   2
   8  -6  -1 8.98137 2.10601   2
   8  -6  -1 12.6966 3.82535   2
   8  -6  -1 11.7307 11.3702   1
  -8   6   1 7.39177 2.34855   2
  -8   6   1 15.3162 4.14457   2
  -8   6   1 8.07656 10.5389   1
   7  -6  -1 90.0113 24.4869   1
   7  -6  -1 81.4616 10.1642   2
   7  -6  -1 92.6216 10.1692   2
  -7   6   1 75.9636 10.4471   2
  -7   6   1 65.8465 19.8696   1
  -7   6   1 82.2053 10.2453   2
   6  -6  -1 96.9989 11.5940   2
   6  -6  -1 100.398 11.5887   2
   6  -6  -1 91.4268 17.6137   1
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   5  -6  -1 145.828 17.5643   2
   5  -6  -1 138.604 21.5652   1
   5  -6  -1 148.727 17.5576   2
  -5   6   1 192.859 25.9589   1
  -5   6   1 151.814 17.5834   2
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   4  -6  -1 963.940 105.616   1
   4  -6  -1 897.524 103.638   2
   4  -6  -1 884.664 103.646   2
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   3  -6  -1 1708.20 178.120   1
   3  -6  -1 1530.07 176.530   2
   3  -6  -1 1466.57 176.529   2
  -3   6   1 1517.01 176.524   2
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   2  -6  -1 476.852 57.7504   2
   2  -6  -1 435.997 57.7319   2
   2  -6  -1 704.401 60.9786   1
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   1  -6  -1 2.66165 0.80140   2
   1  -6  -1 1.40518 0.88979   2
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   2   6   1 25.1924 3.36548   2
   2   6   1 39.7320 9.16715   1
   2   6   1 19.6158 3.26228   2
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   3   6   1 297.748 41.6451   2
   3   6   1 371.396 41.6648   2
   3   6   1 466.607 44.6508   1
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   4   6   1 237.874 30.3346   1
   4   6   1 243.105 27.4735   2
   4   6   1 233.599 27.4705   2
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   5   6   1 163.058 24.3570   1
   5   6   1 182.781 20.6248   2
   5   6   1 177.937 20.5929   2
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   6   6   1 99.7155 11.4293   2
   6   6   1 93.4270 17.8954   1
   6   6   1 99.4378 11.4227   2
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   7   6   1 70.2194 8.98108   2
   7   6   1 71.9483 8.98670   2
   7   6   1 67.7055 17.2069   1
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   8   6   1 24.6046 4.69985   2
   8   6   1 20.1054 4.71346   2
   8   6   1 4.24506 9.98592   1
  -9  -6  -1 16.9775 4.85515   2
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   9   6   1 19.4735 5.04981   2
   9   6   1 17.9521 12.3419   1
   9   6   1 17.3403 5.01321   2
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  10   6   1 17.0321 4.99425   2
  10   6   1 23.5345 17.2245   1
 -11  -6  -1 45.3865 7.45546   2
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  11   6   1 38.2414 7.22153   2
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  11  -7  -1 21.7760 5.62503   2
  11  -7  -1 8.53372 2.97209   2
 -11   7   1 20.5760 6.03577   2
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   5   5  -2 293.337 31.6598   2
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   4   4  -2 675.645 81.0537   2
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   7   3  -2 26.9557 4.58324   2
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   6   3  -2 127.256 14.2902   2
   6   3  -2 121.506 14.2718   2
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   5   3  -2 93.2933 14.6645   1
   5   3  -2 87.0848 10.0334   2
   5   3  -2 83.1301 10.0154   2
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   4   3  -2 27.3683 9.22719   1
   4   3  -2 31.8313 4.11770   2
   4   3  -2 32.5667 4.10395   2
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   3   3  -2 43.6378 4.92579   2
   3   3  -2 29.8951 5.02497   2
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   4  -3   2 1642.74 206.696   2
   4  -3   2 1656.93 206.696   2
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   5  -3   2 83.7439 9.94201   2
   5  -3   2 82.8888 9.92867   2
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   7  -3   2 52.5803 6.89270   2
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   6   2  -2 145.573 16.6193   2
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   6   2  -2 176.964 23.4421   1
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   5   2  -2 139.467 19.6560   1
   5   2  -2 147.157 16.0653   2
   5   2  -2 139.413 16.0746   2
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  -5  -2   2 120.123 16.0500   2
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   7  -1  -2 75.6832 8.85101   2
   7  -1  -2 42.5779 16.5135   1
   7  -1  -2 74.8540 8.45685   3
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   2   1   2 43.3310 4.50660   2
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   2   1   2 34.1004 4.55761   2
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   3   1   2 2559.73 347.449   1
  -4  -1  -2 281.775 28.0022   1
  -4  -1  -2 166.043 22.7317   2
  -4  -1  -2 177.126 22.7380   2
   4   1   2 176.543 22.7320   2
   4   1   2 261.700 27.3178   1
   4   1   2 176.663 22.7445   2
  -5  -1  -2 594.879 74.4835   2
  -5  -1  -2 693.905 76.7036   1
  -5  -1  -2 634.590 74.5024   2
   5   1   2 685.427 76.5888   1
   5   1   2 646.112 74.5000   2
   5   1   2 645.251 74.4997   2
  -6  -1  -2 543.078 61.5151   2
  -6  -1  -2 517.749 61.5041   2
  -6  -1  -2 528.421 64.2013   1
   6   1   2 530.115 64.0757   1
   6   1   2 544.951 61.5126   2
   6   1   2 547.851 61.5155   2
  -7  -1  -2 165.819 21.1444   2
  -7  -1  -2 262.176 31.5884   1
  -7  -1  -2 175.902 21.1420   2
   7   1   2 159.862 25.6436   1
   7   1   2 183.510 21.1661   2
   7   1   2 181.389 21.1626   2
  -8  -1  -2 214.742 26.7096   2
  -8  -1  -2 231.848 26.7135   2
  -8  -1  -2 185.705 35.1805   1
   8   1   2 327.100 38.8762   1
   8   1   2 223.230 26.7000   2
   8   1   2 230.064 26.7174   2
  -9  -1  -2 55.1297 7.19357   2
  -9  -1  -2 31.8723 17.6563   1
  -9  -1  -2 59.8407 7.34936   2
   9   1   2 51.4890 7.25708   2
   9   1   2 21.9141 12.6495   1
   9   1   2 53.9972 7.26911   2
 -10  -1  -2 36.0462 6.93134   2
 -10  -1  -2 45.7991 6.63574   2
 -10  -1  -2 24.7749 13.7629   1
  10   1   2 37.6570 18.7480   1
  10   1   2 44.6230 6.46013   2
  10   1   2 37.8478 6.44867   2
 -11  -1  -2 51.3550 7.51418   2
 -11  -1  -2 29.1096 16.3541   1
 -11  -1  -2 48.9687 7.19041   2
  11   1   2 46.1375 7.29077   2
  11   1   2 42.9435 6.14031   3
  11   1   2 49.8642 7.32792   2
  11   1   2 23.9613 15.1970   1
 -12  -1  -2 5.81121 2.46800   2
 -12  -1  -2 5.70721 2.72548   2
  12   1   2 3.52123 1.19627   3
  12   1   2 3.21632 2.40074   2
  12   1   2 3.32349 2.49455   2
  12  -2  -2 1.49320 2.52701   2
  12  -2  -2 9.15272 2.81651   2
 -12   2   2 -1.1051 2.78209   2
  11  -2  -2 5.16758 15.7140   1
  11  -2  -2 9.24168 2.61594   2
  11  -2  -2 16.6109 5.24500   2
 -11   2   2 6.30887 2.80437   2
 -11   2   2 17.2915 5.13954   2
  10  -2  -2 31.8181 6.02805   2
  10  -2  -2 35.3272 19.7364   1
  10  -2  -2 31.6886 5.96923   2
 -10   2   2 40.2545 6.19286   2
 -10   2   2 28.6555 6.39401   2
 -10   2   2 26.0549 15.1968   1
   9  -2  -2 43.4660 15.3976   1
   9  -2  -2 86.1897 9.77306   2
   9  -2  -2 79.2032 9.97999   2
  -9   2   2 84.1884 10.0653   2
  -9   2   2 83.7336 9.89035   2
  -9   2   2 46.0845 16.0192   1
   8  -2  -2 3.83849 9.15111   1
   8  -2  -2 3.33010 1.59403   2
   8  -2  -2 2.32394 1.57580   2
  -8   2   2 2.77353 1.73518   2
  -8   2   2 2.00564 1.75811   2
  -8   2   2 5.88919 9.51408   1
   7  -2  -2 60.9632 7.66178   2
   7  -2  -2 54.4032 15.3854   1
   7  -2  -2 58.9349 7.66434   2
  -7   2   2 58.2250 17.0034   1
  -7   2   2 63.7358 7.72392   2
  -7   2   2 58.6181 7.80204   2
   6  -2  -2 305.440 35.5655   2
   6  -2  -2 324.751 35.5767   2
   6  -2  -2 296.412 35.4438   3
   6  -2  -2 318.864 38.8227   1
  -6   2   2 316.850 35.5864   2
  -6   2   2 295.833 38.9220   1
  -6   2   2 302.382 35.5944   2
   5  -2  -2 34.4055 10.0311   1
   5  -2  -2 34.1267 4.46205   2
   5  -2  -2 34.4174 4.08123   3
   5  -2  -2 35.6844 4.44759   2
  -5   2   2 26.6753 4.62126   2
  -5   2   2 29.5943 10.6788   1
  -5   2   2 34.0907 4.50081   2
   4  -2  -2 87.6661 9.55390   2
   4  -2  -2 83.0999 9.54086   2
   4  -2  -2 76.7048 12.9038   1
  -4   2   2 70.8879 13.1967   1
  -4   2   2 80.4777 9.60991   2
  -4   2   2 79.3855 9.55326   2
   3  -2  -2 73.6837 8.65720   2
   3  -2  -2 75.2063 8.64344   2
   3  -2  -2 76.1992 11.1924   1
  -3   2   2 74.2353 11.5331   1
  -3   2   2 68.5499 8.69515   2
  -3   2   2 75.3415 8.64544   2
   2  -2  -2 372.202 46.5675   2
   2  -2  -2 380.615 46.5713   2
   2  -2  -2 534.630 48.2017   1
  -2   2   2 381.543 46.5784   2
  -2   2   2 408.893 47.5212   1
  -2   2   2 395.255 46.5403   3
  -2   2   2 378.628 46.5680   2
   0  -2  -2 1637.42 188.023   1
  -1  -2  -2 511.866 38.1495   1
  -1  -2  -2 332.540 36.5537   2
  -1  -2  -2 329.224 36.5473   2
   1   2   2 333.219 36.5505   2
   1   2   2 69.7614 36.5143   2
   1   2   2 351.438 37.3490   1
  -2  -2  -2 306.112 34.4943   1
  -2  -2  -2 263.340 33.2477   2
  -2  -2  -2 248.906 33.2473   2
   2   2   2 429.493 35.7650   1
   2   2   2 259.382 33.2431   2
   2   2   2 254.430 33.2449   2
  -3  -2  -2 454.506 64.0115   2
  -3  -2  -2 809.088 66.7864   1
  -3  -2  -2 466.976 64.0132   2
   3   2   2 476.608 64.0147   2
   3   2   2 461.300 64.0084   2
   3   2   2 724.864 66.1757   1
  -4  -2  -2 1066.36 127.501   2
  -4  -2  -2 985.185 127.478   2
  -4  -2  -2 1220.88 129.134   1
   4   2   2 1104.83 127.497   2
   4   2   2 1204.86 128.985   1
   4   2   2 1097.00 127.496   2
  -5  -2  -2 532.990 72.7403   2
  -5  -2  -2 581.283 72.7646   2
  -5  -2  -2 910.934 77.2848   1
   5   2   2 601.938 72.7661   2
   5   2   2 600.430 72.7614   2
   5   2   2 612.272 74.7369   1
  -6  -2  -2 216.699 29.6823   1
  -6  -2  -2 176.208 22.1371   2
  -6  -2  -2 183.692 22.1330   2
   6   2   2 183.909 22.1482   2
   6   2   2 210.766 29.0065   1
   6   2   2 193.718 22.1647   2
  -7  -2  -2 595.710 72.8031   1
  -7  -2  -2 607.333 69.4904   2
  -7  -2  -2 589.986 69.4750   2
   7   2   2 638.957 69.5030   2
   7   2   2 559.333 72.4549   1
   7   2   2 633.617 69.4957   2
  -8  -2  -2 270.428 35.5853   1
  -8  -2  -2 178.131 22.1826   2
  -8  -2  -2 185.564 22.1630   2
   8   2   2 186.280 22.1815   2
   8   2   2 186.204 22.1916   2
   8   2   2 177.474 27.9760   1
  -9  -2  -2 168.599 19.0194   2
  -9  -2  -2 164.076 18.9798   2
  -9  -2  -2 139.502 27.2284   1
   9   2   2 157.343 18.9814   2
   9   2   2 152.049 18.9684   2
   9   2   2 189.415 32.6719   1
 -10  -2  -2 72.2271 8.60881   2
 -10  -2  -2 62.9045 8.96752   2
 -10  -2  -2 33.6413 15.3215   1
  10   2   2 64.7854 8.54390   2
  10   2   2 64.2525 8.44142   2
  10   2   2 36.3335 14.3920   1
 -11  -2  -2 2.03422 20.3367   1
 -11  -2  -2 24.6809 5.98704   2
 -11  -2  -2 18.2308 5.19942   2
  11   2   2 15.8716 5.41200   2
  11   2   2 19.4373 5.27727   2
  11   2   2 16.8082 18.8611   1
 -12  -2  -2 1.90412 2.54607   2
 -12  -2  -2 1.52393 2.37929   2
  12   2   2 3.94194 2.52000   2
  12   2   2 1.87286 1.18931   3
  12   2   2 -0.1689 2.51243   2
  12  -3  -2 4.64256 2.64332   2
  11  -3  -2 30.0041 6.21297   2
  11  -3  -2 28.4518 6.24795   2
  11  -3  -2 15.9237 16.6114   1
 -11   3   2 37.6055 6.50722   2
 -11   3   2 22.4113 6.69629   2
  10  -3  -2 25.3811 19.0608   1
  10  -3  -2 18.8527 5.22992   2
  10  -3  -2 21.1885 5.16506   2
 -10   3   2 17.9582 5.77747   2
 -10   3   2 19.3992 21.3054   1
 -10   3   2 31.7160 5.47627   2
   9  -3  -2 107.576 13.7151   2
   9  -3  -2 116.115 13.6667   2
   9  -3  -2 102.227 23.6899   1
  -9   3   2 89.7688 24.3240   1
  -9   3   2 120.639 13.8651   2
  -9   3   2 115.112 13.7333   2
   8  -3  -2 10.5118 3.84773   2
   8  -3  -2 14.5289 14.0668   1
   8  -3  -2 12.3009 3.75683   2
  -8   3   2 9.62710 12.6075   1
  -8   3   2 14.0344 3.96829   2
  -8   3   2 12.1754 4.18904   2
   7  -3  -2 9.54418 3.19490   2
   7  -3  -2 4.39568 7.76410   1
   7  -3  -2 6.19502 1.60658   2
  -7   3   2 5.78980 8.43913   1
  -7   3   2 4.12691 1.78707   2
  -7   3   2 10.1803 3.37713   2
   6  -3  -2 100.393 17.4013   1
   6  -3  -2 97.0272 11.9421   2
   6  -3  -2 98.6829 11.9563   2
  -6   3   2 92.8478 12.0382   2
  -6   3   2 104.121 12.0132   2
  -6   3   2 138.994 23.0193   1
   5  -3  -2 12.9782 6.29153   1
   5  -3  -2 19.1726 3.16284   2
   5  -3  -2 17.8589 3.13542   2
  -5   3   2 20.4022 9.99391   1
  -5   3   2 18.2113 3.36763   2
  -5   3   2 17.9297 3.17385   2
   4  -3  -2 24.8028 8.46184   1
   4  -3  -2 16.1771 2.81937   2
   4  -3  -2 18.0035 2.85102   2
  -4   3   2 22.9985 8.30909   1
  -4   3   2 14.0184 3.05123   2
  -4   3   2 16.4739 2.87515   2
   3  -3  -2 3.84376 0.85808   2
   3  -3  -2 5.54845 4.18949   1
   3  -3  -2 3.18361 0.82806   2
  -3   3   2 2.36022 0.85849   2
  -3   3   2 2.22419 0.91339   2
  -3   3   2 2.45796 0.61229   3
  -3   3   2 5.28090 3.95619   1
   2  -3  -2 1658.71 205.592   1
  -2   3   2 1917.39 205.900   1
   1  -3  -2 2569.91 293.376   1
  -1   3   2 2541.57 293.358   1
   0  -3  -2 14.9352 1.83243   2
   0  -3  -2 5.27989 3.27647   1
   0   3   2 6.75194 1.92223   2
  -1  -3  -2 43.2133 9.09501   1
  -1  -3  -2 58.8669 6.67789   2
   1   3   2 72.1850 6.65514   2
   1   3   2 53.2834 6.68778   2
   1   3   2 40.5300 9.12640   1
  -2  -3  -2 2524.45 345.791   1
   2   3   2 3502.88 346.438   1
  -3  -3  -2 486.267 59.6407   2
  -3  -3  -2 523.442 61.0132   1
  -3  -3  -2 436.057 59.6255   2
   3   3   2 784.041 62.6358   1
   3   3   2 448.688 59.6242   2
   3   3   2 470.939 59.6320   2
  -4  -3  -2 1700.09 223.973   2
  -4  -3  -2 1605.46 223.944   2
   4   3   2 3017.93 227.211   1
   4   3   2 1720.00 223.953   2
   4   3   2 1770.34 223.968   2
  -5  -3  -2 191.283 22.7486   1
  -5  -3  -2 116.409 14.0018   2
  -5  -3  -2 100.740 13.9640   2
   5   3   2 119.949 13.9930   2
   5   3   2 118.143 14.0024   2
   5   3   2 115.335 17.4759   1
  -6  -3  -2 80.6761 15.9660   1
  -6  -3  -2 87.1557 9.87047   2
  -6  -3  -2 72.2372 9.87261   2
   6   3   2 79.6148 15.0565   1
   6   3   2 83.3131 9.87464   2
   6   3   2 85.5340 9.86455   2
  -7  -3  -2 147.582 17.9064   2
  -7  -3  -2 175.925 29.1788   1
  -7  -3  -2 147.658 17.9359   2
   7   3   2 167.539 27.9531   1
   7   3   2 155.085 17.9473   2
   7   3   2 144.782 17.8910   2
  -8  -3  -2 32.6873 5.25008   2
  -8  -3  -2 31.0918 5.05899   2
  -8  -3  -2 19.5050 15.1648   1
   8   3   2 25.7122 4.98345   2
   8   3   2 16.1542 9.93580   1
   8   3   2 29.0304 4.99655   2
  -9  -3  -2 12.1995 4.07255   2
  -9  -3  -2 15.4365 4.44641   2
  -9  -3  -2 10.4896 11.1046   1
   9   3   2 12.6787 4.23404   2
   9   3   2 2.89523 10.5701   1
   9   3   2 5.76083 2.20168   2
 -10  -3  -2 41.4706 6.84882   2
 -10  -3  -2 47.1280 6.82615   2
 -10  -3  -2 27.1481 14.4906   1
  10   3   2 47.2032 6.87713   2
  10   3   2 28.3158 14.0434   1
  10   3   2 41.3969 6.77608   2
 -11  -3  -2 32.2117 23.1107   1
 -11  -3  -2 34.3358 6.51365   2
 -11  -3  -2 32.0300 6.04794   2
  11   3   2 34.8755 6.46234   2
  11   3   2 31.8176 6.32927   2
  11   3   2 22.3890 14.2009   1
 -12  -3  -2 4.81235 3.19513   2
 -12  -3  -2 4.87158 2.53882   2
  12   3   2 4.00874 2.61664   2
  12   3   2 9.52728 2.69882   2
  11  -4  -2 8.07898 15.9161   1
  11  -4  -2 18.2733 5.38689   2
  11  -4  -2 8.89683 2.85001   2
 -11   4   2 27.8516 5.69904   2
 -11   4   2 8.01279 3.03634   2
  10  -4  -2 17.1959 5.07028   2
  10  -4  -2 13.2415 13.4834   1
  10  -4  -2 26.4496 5.04293   2
 -10   4   2 24.5157 5.24147   2
 -10   4   2 17.4798 15.0565   1
 -10   4   2 13.3192 3.35074   2
   9  -4  -2 18.3614 12.1234   1
   9  -4  -2 19.9032 4.59639   2
   9  -4  -2 14.0910 4.72772   2
  -9   4   2 16.4544 12.7525   1
  -9   4   2 24.8083 5.01176   2
  -9   4   2 16.9065 5.31371   2
   8  -4  -2 49.6242 7.12068   2
   8  -4  -2 51.0030 7.09665   2
   8  -4  -2 55.4896 16.9281   1
  -8   4   2 47.9959 7.35820   2
  -8   4   2 71.3717 19.4784   1
  -8   4   2 57.3095 7.27361   2
   7  -4  -2 93.9520 11.7177   2
   7  -4  -2 99.8684 18.7078   1
   7  -4  -2 95.3106 11.7140   2
  -7   4   2 126.986 26.4145   1
  -7   4   2 94.4422 11.9048   2
  -7   4   2 98.8423 11.7936   2
   6  -4  -2 481.761 59.3758   2
   6  -4  -2 479.144 62.1026   1
   6  -4  -2 491.303 59.3814   2
  -6   4   2 490.655 59.4222   2
  -6   4   2 509.397 59.4081   2
  -6   4   2 677.739 65.7895   1
   5  -4  -2 438.993 54.4856   2
   5  -4  -2 609.410 59.1731   1
   5  -4  -2 419.032 54.4740   2
  -5   4   2 423.044 54.4820   2
  -5   4   2 552.820 59.0425   1
  -5   4   2 438.097 54.5070   2
   4  -4  -2 302.385 38.8460   1
   4  -4  -2 305.312 36.8007   2
   4  -4  -2 302.546 36.8002   2
  -4   4   2 436.489 41.4334   1
  -4   4   2 304.497 36.8324   2
  -4   4   2 312.719 36.7307   3
  -4   4   2 301.207 36.8083   2
   3  -4  -2 214.764 26.4375   2
   3  -4  -2 222.808 28.3570   1
   3  -4  -2 216.924 26.4447   2
  -3   4   2 306.325 30.3677   1
  -3   4   2 216.840 26.4443   2
  -3   4   2 219.190 26.4687   2
   2  -4  -2 492.531 58.2226   2
   2  -4  -2 453.204 58.2132   2
   2  -4  -2 492.171 59.3877   1
  -2   4   2 480.125 58.2301   2
  -2   4   2 482.839 58.2203   2
  -2   4   2 655.487 60.4135   1
   1  -4  -2 148.751 17.0358   2
   1  -4  -2 137.938 18.6696   1
   1  -4  -2 136.841 17.0203   2
  -1   4   2 158.821 17.0511   2
  -1   4   2 155.211 18.9987   1
   0  -4  -2 256.515 31.2997   2
   0  -4  -2 310.952 32.5984   1
   0   4   2 253.093 31.3041   2
  -1  -4  -2 404.635 53.3343   2
  -1  -4  -2 553.723 54.8894   1
   1   4   2 516.809 54.6546   1
   1   4   2 392.401 53.3274   2
  -2  -4  -2 0.81153 0.78489   2
  -2  -4  -2 -0.6396 5.98109   1
  -2  -4  -2 1.70171 0.85392   2
   2   4   2 2.89273 3.80100   1
   2   4   2 2.78692 0.74396   2
   2   4   2 4.92028 1.75976   2
  -3  -4  -2 733.166 70.4382   1
  -3  -4  -2 546.273 68.3678   2
  -3  -4  -2 576.700 68.3758   2
   3   4   2 544.312 68.3616   2
   3   4   2 609.938 69.7618   1
   3   4   2 575.294 68.3701   2
  -4  -4  -2 1220.80 127.009   1
  -4  -4  -2 1077.36 125.173   2
  -4  -4  -2 999.466 125.146   2
   4   4   2 1080.53 125.163   2
   4   4   2 1151.51 126.743   1
   4   4   2 1027.03 125.150   2
  -5  -4  -2 53.6539 6.98395   2
  -5  -4  -2 52.4729 7.06723   2
  -5  -4  -2 62.3239 12.7847   1
   5   4   2 82.6695 17.1105   1
   5   4   2 57.2279 7.00603   2
   5   4   2 56.4968 7.01029   2
  -6  -4  -2 102.909 21.0433   1
  -6  -4  -2 85.0292 10.4354   2
  -6  -4  -2 81.6106 10.3999   2
   6   4   2 90.5944 10.4422   2
   6   4   2 85.6310 10.4237   2
   6   4   2 87.9846 19.6015   1
  -7  -4  -2 577.273 63.6496   2
  -7  -4  -2 534.770 67.6637   1
  -7  -4  -2 536.204 63.6073   2
   7   4   2 494.172 66.7162   1
   7   4   2 585.106 63.6291   2
   7   4   2 585.732 63.6360   2
  -8  -4  -2 236.657 25.6552   2
  -8  -4  -2 224.312 32.3103   1
  -8  -4  -2 198.825 25.6134   2
   8   4   2 230.768 25.6452   2
   8   4   2 177.482 33.3345   1
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   7  -6  -2 273.366 33.3329   2
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  -7   6   2 289.780 33.3718   2
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   6  -6  -2 237.899 28.7104   2
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   5   7   2 80.3154 9.40082   2
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   6   7   2 11.1628 3.33822   2
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   7   7   2 5.81111 1.69733   2
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   9  -8  -2 3.32998 2.13599   2
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  -9   8   2 3.90082 2.36588   2
   8  -8  -2 70.7438 20.9447   1
   8  -8  -2 79.8660 9.59411   2
   8  -8  -2 71.7314 9.60496   2
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  -8   8   2 69.3580 10.1156   2
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   7  -8  -2 39.6278 5.91788   2
   7  -8  -2 41.6056 5.83537   2
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  -7   8   2 36.3022 6.48943   2
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   6  -8  -2 57.3757 7.49600   2
   6  -8  -2 59.6343 7.45005   2
  -6   8   2 61.5563 7.07780   3
  -6   8   2 58.3386 7.62416   2
  -6   8   2 52.7831 16.4827   1
  -6   8   2 53.9483 7.90937   2
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   4  -8  -2 345.466 37.1339   1
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   3  -8  -2 1494.80 182.275   2
   3  -8  -2 1549.23 182.294   2
  -3   8   2 1586.27 183.975   1
  -3   8   2 1612.76 182.268   2
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   2  -8  -2 1332.45 138.511   1
   2  -8  -2 1121.75 136.716   2
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   1  -8  -2 982.120 126.488   2
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   1  -8  -2 1073.00 126.527   2
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   4   4  -3 836.043 92.8098   1
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   3   4  -3 574.239 58.5179   2
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  -1  -4   3 189.736 21.2456   1
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   4  -4   3 374.551 41.4165   2
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   5   3  -3 171.132 18.6771   2
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   3  -3   3 69.3283 8.43783   2
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   5  -3   3 125.641 14.0210   2
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   8  -3   3 12.2556 3.89159   2
   8  -3   3 14.4911 13.9435   1
   8  -3   3 11.9711 3.79645   2
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   9  -3   3 2.96100 1.74273   2
   9  -3   3 1.40199 1.66192   2
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  -6  -2   3 24.4544 3.80846   2
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   5   2  -3 193.846 24.1297   1
   5   2  -3 186.099 20.7570   2
   5   2  -3 169.459 20.7533   2
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   4   2  -3 67.2251 6.38338   2
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   4   2  -3 66.5732 10.9561   1
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   3   2  -3 159.784 18.1334   2
   3   2  -3 155.564 20.1124   1
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   2   2  -3 164.718 18.3809   2
   2   2  -3 176.132 19.7493   1
   2   2  -3 161.549 18.3737   2
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  -2  -2   3 168.827 18.3768   2
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   1   2  -3 14.7584 1.64220   2
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  -1  -2   3 9.20818 1.51718   2
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   0  -2   3 398.003 52.3032   2
   0  -2   3 602.419 52.5744   1
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   1  -2   3 122.180 12.1235   2
   1  -2   3 102.516 12.1264   2
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  -3   2  -3 279.621 34.5439   2
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   3  -2   3 324.994 36.1407   1
   3  -2   3 288.974 34.5446   2
   3  -2   3 293.438 34.5510   2
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   4  -2   3 357.301 39.8289   1
   4  -2   3 317.192 37.2851   2
   4  -2   3 317.027 37.2971   2
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   5  -2   3 681.711 76.7739   1
   5  -2   3 658.908 74.7346   2
   5  -2   3 641.413 74.7178   2
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   6  -2   3 846.569 110.883   2
   6  -2   3 849.961 110.901   2
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   7  -2   3 287.470 33.2782   2
   7  -2   3 293.586 33.2729   2
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   8  -2   3 2.14936 1.54029   2
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   9  -2   3 31.3836 5.54729   2
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   9   1  -3 80.2148 10.0882   2
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  -9  -1   3 62.3422 21.4511   1
  -9  -1   3 83.7128 10.1458   2
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   8   1  -3 16.8714 3.98261   2
   8   1  -3 16.1804 4.05750   2
  -8  -1   3 16.8760 4.17057   2
  -8  -1   3 12.9468 4.69048   2
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   7   1  -3 13.4777 3.50789   2
   7   1  -3 17.7467 9.44371   1
   7   1  -3 13.1369 3.44131   2
  -7  -1   3 16.2795 3.52360   2
  -7  -1   3 14.7490 8.51523   1
  -7  -1   3 12.1124 3.55162   2
   6   1  -3 80.1692 15.0653   1
   6   1  -3 80.7597 9.09841   2
   6   1  -3 70.1175 9.09088   2
  -6  -1   3 71.3050 9.11019   2
  -6  -1   3 73.5204 15.0527   1
  -6  -1   3 76.3374 9.10332   2
   5   1  -3 28.4302 4.06240   2
   5   1  -3 32.1396 4.04603   2
   5   1  -3 29.7569 10.1832   1
  -5  -1   3 26.9725 7.65349   1
  -5  -1   3 23.1664 4.27147   2
  -5  -1   3 29.6279 4.01988   2
   4   1  -3 233.749 25.5385   2
   4   1  -3 227.153 27.8833   1
   4   1  -3 209.882 25.5362   2
  -4  -1   3 218.087 25.5200   2
  -4  -1   3 219.246 27.8181   1
   3   1  -3 51.3427 5.85217   2
   3   1  -3 50.4648 9.29366   1
   3   1  -3 47.3910 5.96368   2
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  -3  -1   3 38.5524 9.00103   1
   2   1  -3 173.639 20.2299   1
   2   1  -3 161.571 18.8718   2
   2   1  -3 154.878 18.8763   2
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  -2  -1   3 159.333 18.8580   2
   1   1  -3 15.2437 4.67231   1
   1   1  -3 14.2298 2.39624   2
   1   1  -3 14.4021 2.37512   2
  -1  -1   3 21.7037 2.30095   2
  -1  -1   3 23.9908 2.32789   2
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  -1   1  -3 5.07326 2.20000   1
  -1   1  -3 7.70537 1.24039   2
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   1  -1   3 1.01407 1.80500   1
  -2   1  -3 266.899 30.0723   2
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  -2   1  -3 237.530 30.0781   2
   2  -1   3 259.701 30.0615   2
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   9   1   3 183.244 21.8378   2
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   3  -2  -3 119.657 13.6493   2
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   2  -2  -3 39.7273 7.67428   1
   2  -2  -3 41.0741 4.85477   2
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   2   2   3 451.428 39.4887   1
   2   2   3 292.360 37.3764   2
   2   2   3 301.337 37.3731   2
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   3   2   3 64.6707 7.94549   2
   3   2   3 67.1547 7.95834   2
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   4   2   3 382.671 44.9459   2
   4   2   3 389.786 44.9500   2
   4   2   3 412.801 46.7566   1
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   5   2   3 5.65439 5.28960   1
   5   2   3 2.91376 1.11094   2
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   6   2   3 802.700 90.5341   2
   6   2   3 821.586 92.8874   1
   6   2   3 809.131 90.5344   2
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   7   2   3 192.853 21.4258   2
   7   2   3 158.792 25.8882   1
   7   2   3 187.016 21.4392   2
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   8   2   3 59.4009 21.3420   1
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   9   2   3 64.0786 23.7085   1
   9   2   3 87.7836 11.2298   2
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  12   2   3 9.58667 3.30016   2
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   9  -3  -3 58.4231 8.17873   2
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   8  -3  -3 90.6145 10.8455   2
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   7  -3  -3 32.6283 4.96868   2
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  -7   3   3 31.7750 5.17651   2
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   6  -3  -3 218.030 24.0040   2
   6  -3  -3 212.174 23.9810   2
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  -6   3   3 220.606 24.0230   2
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   5  -3  -3 337.534 41.7008   1
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   4  -3  -3 32.1373 4.27513   2
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  -3   3   3 192.426 21.8245   2
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   4   3   3 386.701 44.1859   2
   4   3   3 397.330 46.2430   1
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  -5  -3  -3 133.809 17.1542   2
   5   3   3 141.392 17.1600   2
   5   3   3 141.364 17.1432   2
   5   3   3 172.778 21.7978   1
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   6   3   3 55.8640 7.29502   2
   6   3   3 61.2813 7.31883   2
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   7   3   3 404.507 45.5708   2
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   7   3   3 383.473 45.5561   2
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   8   3   3 95.9949 11.5967   2
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   8  -4  -3 81.1322 10.2406   2
   8  -4  -3 73.0745 21.6808   1
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   7  -4  -3 50.1289 6.99563   2
   7  -4  -3 56.8202 7.07159   2
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  -7   4   3 55.9391 7.18141   2
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   6  -4  -3 398.440 50.3610   2
   6  -4  -3 403.958 50.3718   2
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  -6   4   3 420.221 50.3853   2
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   5  -4  -3 690.952 81.1350   2
   5  -4  -3 759.547 83.6766   1
  -5   4   3 713.864 81.1462   2
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   8  -5  -3 50.2639 6.65456   2
   8  -5  -3 50.2099 17.8243   1
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   7  -5  -3 65.0599 8.69234   2
   7  -5  -3 59.5536 16.9016   1
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   6  -5  -3 152.252 17.5629   2
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   2   5   3 232.226 26.5401   1
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   7   5   3 69.2405 8.61954   2
   7   5   3 85.8036 20.5788   1
   7   5   3 72.2748 8.62592   2
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   8   5   3 56.5082 21.1352   1
   8   5   3 74.5711 9.16522   2
   8   5   3 72.7644 9.19002   2
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   9   5   3 45.4089 6.40212   2
   9   5   3 40.3348 6.27676   2
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  11   5   3 28.5461 22.0626   1
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   6  -1  -4 24.1850 3.80803   2
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   5  -1  -4 373.472 42.6038   3
   5  -1  -4 393.293 45.2480   1
   5  -1  -4 363.375 42.6769   2
   5  -1  -4 376.148 42.6684   2
  -5   1   4 354.206 42.7002   2
  -5   1   4 380.568 42.6851   2
  -5   1   4 358.331 45.3000   1
   4  -1  -4 188.197 22.7350   1
   4  -1  -4 170.538 20.1226   3
   4  -1  -4 170.151 20.1817   2
   4  -1  -4 172.982 20.2033   2
  -4   1   4 178.209 20.2098   2
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   3  -1  -4 30.9545 4.06057   2
   3  -1  -4 34.0982 7.68662   1
   3  -1  -4 32.5100 3.94104   2
   3  -1  -4 33.6993 3.84602   3
  -3   1   4 30.9959 8.23860   1
  -3   1   4 33.5060 4.00163   2
  -3   1   4 24.8093 3.79013   2
   2  -1  -4 24.6231 2.95235   2
   2  -1  -4 18.6604 2.97181   2
   2  -1  -4 22.3213 6.09462   1
   2  -1  -4 21.4234 2.82450   3
  -2   1   4 24.8337 2.96791   2
  -2   1   4 23.7040 6.20515   1
   1  -1  -4 51.1929 5.70159   2
   1  -1  -4 46.2526 5.68725   2
   1  -1  -4 48.4851 7.47842   1
  -1   1   4 46.4303 5.69103   2
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   0  -1  -4 8.39718 1.63010   2
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   3   1   4 27.9839 3.78117   2
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   5   1   4 38.3507 5.09612   2
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   6   1   4 260.087 30.2953   2
   6   1   4 237.717 33.3825   1
   6   1   4 247.310 30.2734   2
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   7   1   4 9.74500 8.26496   1
   7   1   4 17.9944 3.76825   2
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   8   1   4 5.80743 1.85417   2
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   9   1   4 43.8290 6.06015   2
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  11   1   4 41.4331 7.01187   2
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   9  -2  -4 55.3012 7.68462   2
   9  -2  -4 34.8172 13.8108   1
  -9   2   4 55.4726 7.89032   2
  -9   2   4 65.0898 7.84145   2
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   8  -2  -4 104.065 13.3341   2
   8  -2  -4 120.669 22.1601   1
   8  -2  -4 103.084 13.1767   2
  -8   2   4 133.372 25.5056   1
  -8   2   4 105.382 13.3529   2
  -8   2   4 113.898 13.4133   2
   7  -2  -4 181.641 26.0568   1
   7  -2  -4 145.358 17.5871   2
   7  -2  -4 152.448 17.5644   2
  -7   2   4 148.308 17.5964   2
  -7   2   4 143.524 24.1235   1
  -7   2   4 141.359 17.6718   2
   6  -2  -4 311.142 33.4174   2
   6  -2  -4 305.335 33.3984   2
   6  -2  -4 256.746 37.3757   1
  -6   2   4 291.017 33.4087   2
  -6   2   4 300.374 33.4440   2
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   5  -2  -4 94.8637 11.3171   2
   5  -2  -4 81.1999 15.6905   1
   5  -2  -4 102.455 11.3567   2
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   4  -2  -4 155.894 17.5938   2
   4  -2  -4 153.138 17.5751   2
   4  -2  -4 149.867 20.2841   1
  -4   2   4 160.296 17.5941   2
  -4   2   4 146.969 20.6663   1
  -4   2   4 142.620 17.6430   2
   3  -2  -4 275.587 32.5450   2
   3  -2  -4 288.173 34.1073   1
   3  -2  -4 283.090 32.5543   2
  -3   2   4 282.638 34.1780   1
  -3   2   4 287.240 32.5554   2
   2  -2  -4 274.435 33.1779   2
   2  -2  -4 278.172 33.1712   2
   2  -2  -4 294.634 34.3568   1
  -2   2   4 297.190 33.1798   2
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  -2   2   4 286.759 34.3331   1
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   2   2   4 443.563 51.1163   1
   2   2   4 416.584 49.2153   2
   2   2   4 421.238 49.2259   2
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   3   2   4 312.899 42.0961   2
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   4   2   4 223.371 26.5857   2
   4   2   4 210.799 28.5435   1
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   5   2   4 4.40381 1.17807   2
   5   2   4 3.87441 1.17041   2
   5   2   4 5.57809 5.59794   1
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  -6  -2  -4 263.318 33.2524   2
   6   2   4 281.690 33.2512   2
   6   2   4 425.369 40.3920   1
   6   2   4 282.469 33.2501   2
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   7   2   4 373.058 44.5444   2
   7   2   4 356.354 47.8575   1
   7   2   4 396.295 44.5590   2
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   8   2   4 20.8489 4.25527   2
   8   2   4 19.7120 4.26194   2
   8   2   4 19.4609 9.58443   1
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  -9  -2  -4 56.1444 7.26777   2
   9   2   4 27.4978 12.6910   1
   9   2   4 53.6592 7.23741   2
   9   2   4 50.8997 7.29192   2
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   9  -3  -4 60.3354 7.73318   2
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   8  -3  -4 57.4560 7.96855   2
   8  -3  -4 52.6924 19.1416   1
   8  -3  -4 58.8382 7.90584   2
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  -8   3   4 65.7476 8.43593   2
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   7  -3  -4 38.1656 5.51709   2
   7  -3  -4 37.8785 10.5550   1
   7  -3  -4 39.0592 5.56680   2
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  -7   3   4 32.9924 5.75448   2
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   6  -3  -4 384.113 45.1316   2
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   5  -3  -4 81.6812 10.1145   2
   5  -3  -4 82.7087 10.1252   2
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   4  -3  -4 306.603 36.8356   2
   4  -3  -4 306.934 36.8397   2
  -4   3   4 320.456 39.3881   1
  -4   3   4 312.227 36.8463   2
  -4   3   4 306.709 36.8713   2
   3  -3  -4 367.516 45.0263   2
   3  -3  -4 368.013 45.0283   2
   3  -3  -4 444.133 47.1513   1
  -3   3   4 388.188 45.0563   2
  -3   3   4 402.785 45.0461   2
  -3   3   4 373.960 46.6476   1
  -3   3   4 404.509 44.9942   3
   2  -3  -4 280.122 33.2821   2
   2  -3  -4 298.829 34.6910   1
   2  -3  -4 291.535 33.2920   2
  -2   3   4 307.116 33.2535   3
  -2   3   4 303.375 33.2962   2
  -2   3   4 287.002 34.6390   1
  -2   3   4 261.091 33.3521   2
   1  -3  -4 1042.72 120.371   1
  -1   3   4 1044.44 120.357   1
   0  -3  -4 2.00462 0.75025   2
   0  -3  -4 0.94965 3.46860   1
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   1   3   4 1380.70 179.691   1
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   2   3   4 1895.70 254.913   1
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   3   3   4 53.1058 6.57098   2
   3   3   4 53.5740 10.0185   1
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   4   3   4 92.6426 11.2877   2
   4   3   4 89.8374 11.3034   2
   4   3   4 100.913 14.5950   1
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   5   3   4 30.4991 9.26525   1
   5   3   4 17.7396 3.02437   2
   5   3   4 17.3317 3.02265   2
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   6   3   4 28.6887 4.04826   2
   6   3   4 25.6660 10.5204   1
   6   3   4 23.8993 4.06251   2
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   7   3   4 60.3333 20.1084   1
   7   3   4 48.2568 6.38531   2
   7   3   4 48.1020 6.40811   2
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   8   3   4 31.0963 5.06760   2
   8   3   4 32.0083 5.13985   2
   8   3   4 22.4137 14.1631   1
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  -9  -3  -4 55.0662 20.1645   1
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   9   3   4 64.9470 8.62664   2
   9   3   4 87.6336 28.0663   1
   9   3   4 60.1414 8.62741   2
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  10   3   4 87.4614 11.9760   2
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   9  -4  -4 58.3380 8.04081   2
   9  -4  -4 56.3427 7.91776   2
   9  -4  -4 48.4363 15.0770   1
  -9   4   4 51.5095 8.44848   2
  -9   4   4 65.9818 8.15599   2
  -9   4   4 64.2124 19.2799   1
   8  -4  -4 59.6889 7.72251   2
   8  -4  -4 52.5536 7.58243   2
   8  -4  -4 56.5052 18.4571   1
  -8   4   4 72.2199 22.2770   1
  -8   4   4 52.2244 7.89407   2
  -8   4   4 61.2382 8.10117   2
   7  -4  -4 47.5614 17.0165   1
   7  -4  -4 59.8855 7.39850   2
   7  -4  -4 57.1851 7.41522   2
  -7   4   4 47.0690 17.2105   1
  -7   4   4 63.6018 7.54562   2
  -7   4   4 50.5109 7.67731   2
   6  -4  -4 71.2641 17.4483   1
   6  -4  -4 102.342 11.2435   2
   6  -4  -4 94.9760 11.2557   2
  -6   4   4 71.2671 18.0659   1
  -6   4   4 99.6582 11.3075   2
  -6   4   4 96.3975 11.3658   2
   5  -4  -4 203.607 23.7419   2
   5  -4  -4 203.027 23.7467   2
   5  -4  -4 204.470 27.9551   1
  -5   4   4 214.723 23.7860   2
  -5   4   4 202.196 28.0525   1
  -5   4   4 202.361 23.8074   2
   4  -4  -4 578.659 70.0525   1
   4  -4  -4 572.008 68.2327   2
   4  -4  -4 571.469 68.2321   2
  -4   4   4 599.485 68.2483   2
  -4   4   4 577.696 68.2545   2
  -4   4   4 638.972 70.7296   1
  -4   4   4 626.933 68.1938   3
   3  -4  -4 1998.27 213.205   1
   3  -4  -4 1756.95 211.743   2
  -3   4   4 1845.13 211.718   3
  -3   4   4 1818.83 211.746   2
  -3   4   4 1844.98 213.049   1
  -3   4   4 1826.51 211.753   2
   2  -4  -4 945.325 99.2142   1
   2  -4  -4 845.409 97.7555   2
   2  -4  -4 791.527 97.7455   2
  -2   4   4 844.959 97.7544   2
  -2   4   4 859.727 97.7647   2
  -2   4   4 832.056 98.9020   1
   1  -4  -4 412.474 46.2721   2
   1  -4  -4 384.986 47.4557   1
   1  -4  -4 379.381 46.2581   2
  -1   4   4 434.799 46.2825   2
   0  -4  -4 5.46442 1.93778   2
   0  -4  -4 11.7051 4.46362   1
   0   4   4 6.10725 1.13457   2
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   1   4   4 23.4061 6.20442   1
   1   4   4 21.8751 2.95047   2
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   7  -6  -5 59.5848 7.70939   2
   7  -6  -5 59.1148 18.7882   1
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   6  -6  -5 39.0172 13.0532   1
   6  -6  -5 42.5647 5.88349   2
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   3  -6  -5 270.281 32.8104   2
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   5   4  -7 76.1532 9.08035   2
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   4   4  -7 168.924 19.1343   2
   4   4  -7 176.132 19.1395   2
  -4  -4   7 164.803 19.0711   2
  -4  -4   7 153.322 22.0439   1
  -4  -4   7 160.831 19.0644   2
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   3   4  -7 9.21868 2.11804   2
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   3  -4   7 174.171 20.0935   2
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   7  -4   7 291.953 29.9135   2
   7  -4   7 273.212 29.9393   2
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   8  -4   7 89.0521 11.0394   2
   8  -4   7 93.2165 11.0058   2
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   9  -4   7 67.1976 11.0331   2
   9  -4   7 94.4570 23.4222   1
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   9   3  -7 57.8896 8.24126   2
   9   3  -7 56.5234 7.52039   3
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   8   3  -7 12.3836 2.94876   2
   8   3  -7 20.1929 4.44873   2
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   6   3  -7 4.89975 1.56093   2
   6   3  -7 3.39672 1.45353   2
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  -6  -3   7 1.89216 1.56896   2
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   5   3  -7 2.98594 1.21023   2
   5   3  -7 3.49554 6.34531   1
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  -5  -3   7 2.98432 1.09235   2
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   4   3  -7 15.6998 5.89021   1
   4   3  -7 14.2236 2.59842   2
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   3   3  -7 22.9195 3.38841   2
   3   3  -7 25.6389 3.35086   2
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   2   3  -7 76.5068 7.97320   2
   2   3  -7 68.9896 9.96116   1
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   1   3  -7 835.184 94.2743   2
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   2  -3   7 139.770 15.6233   1
   2  -3   7 78.8888 13.9583   2
   2  -3   7 144.199 13.9768   2
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   3  -3   7 69.8183 9.20923   2
   3  -3   7 85.7206 9.25499   2
   3  -3   7 83.3693 12.1153   1
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   4  -3   7 63.3229 6.61967   2
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   5  -3   7 182.616 19.3231   2
   5  -3   7 140.930 19.3963   2
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   6  -3   7 109.403 12.6295   2
   6  -3   7 104.488 17.7606   1
   6  -3   7 108.550 12.5468   2
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  -7   3  -7 317.282 34.2756   2
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   7  -3   7 296.821 34.2580   2
   7  -3   7 294.160 34.2226   2
   7  -3   7 282.565 38.4485   1
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  -8   3  -7 51.5542 6.54588   2
   8  -3   7 38.6417 14.1631   1
   8  -3   7 48.5536 6.52091   2
   8  -3   7 48.8972 6.54767   2
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   9  -3   7 6.63679 2.24087   2
   9  -3   7 13.8806 4.27503   2
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   8   2  -7 -1.8367 1.85589   2
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   8   2  -7 5.74789 10.6960   1
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   7   2  -7 16.0481 9.68721   1
   7   2  -7 24.2404 4.16101   2
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  -7  -2   7 20.4663 3.91112   2
  -7  -2   7 8.43400 9.78333   1
   6   2  -7 115.339 19.1606   1
   6   2  -7 107.574 12.9980   2
  -6  -2   7 110.483 13.1706   2
  -6  -2   7 105.838 12.9012   2
  -6  -2   7 109.558 19.6193   1
   5   2  -7 339.339 42.9272   1
   5   2  -7 375.127 40.0547   2
   5   2  -7 349.500 40.0442   2
  -5  -2   7 326.640 40.0054   2
  -5  -2   7 336.951 42.9057   1
  -5  -2   7 357.590 40.0180   2
   4   2  -7 0.95982 0.98145   2
   4   2  -7 1.50759 0.99039   2
   4   2  -7 0.57804 6.70777   1
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   3   2  -7 6.48760 4.91486   1
   3   2  -7 12.3609 2.40063   2
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   2   2  -7 349.962 39.8207   2
   2   2  -7 367.393 39.8270   2
   2   2  -7 367.241 40.8867   1
  -2  -2   7 332.071 39.7949   2
  -2  -2   7 324.871 39.7910   2
  -2  -2   7 341.768 40.7094   1
   1   2  -7 265.314 31.4050   2
   1   2  -7 268.378 31.4040   2
   1   2  -7 291.056 31.8566   1
  -1  -2   7 271.133 31.8215   1
  -1   2  -7 6.65042 1.81829   1
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  -2   2  -7 53.6333 6.06710   2
   2  -2   7 47.6527 5.99406   2
   2  -2   7 52.4256 8.08882   1
   2  -2   7 54.4634 6.00091   2
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   3  -2   7 1055.05 128.382   2
   3  -2   7 1161.09 128.404   2
   3  -2   7 1197.43 129.486   1
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  -6   2  -7 30.4981 4.70119   2
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   6  -2   7 33.3946 4.83320   2
   6  -2   7 39.6667 4.72759   2
   6  -2   7 16.7549 8.41537   1
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  -7   2  -7 53.3028 6.87429   2
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   7  -2   7 57.5983 6.74614   2
   7  -2   7 48.7996 6.86040   2
   7  -2   7 43.5955 14.4644   1
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  -8   2  -7 123.729 14.8758   2
   8  -2   7 122.840 14.9174   2
   8  -2   7 128.281 14.8823   2
   8  -2   7 134.068 23.9943   1
  -9   2  -7 228.177 26.5723   2
  -9   2  -7 233.380 26.6141   2
  -9   2  -7 215.801 33.6678   1
   9  -2   7 220.681 26.5611   2
   9  -2   7 268.192 38.2075   1
   9  -2   7 217.446 26.5789   2
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   6   5   7 436.864 51.3859   2
   6   5   7 474.577 51.3921   2
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   7   5   7 24.4052 4.36207   2
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   7   0  -8 9.14208 9.62110   1
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   6   0  -8 224.672 23.7831   2
   6   0  -8 205.201 23.8295   3
   6   0  -8 204.533 28.7303   1
   6   0  -8 189.010 23.7748   2
  -6   0   8 203.447 23.7539   2
  -6   0   8 211.322 23.7626   2
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   5   0  -8 235.387 26.1725   2
   5   0  -8 222.892 26.1671   2
   5   0  -8 224.190 29.9229   1
   5   0  -8 221.925 26.0949   3
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   7  -2  -8 35.8852 5.30012   2
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   5  -2  -8 288.645 38.1395   2
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   5   2   8 341.347 36.6604   2
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   4   3   8 242.844 31.6735   1
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   5   3   8 255.818 30.9180   2
   5   3   8 266.083 33.9291   1
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   6   3   8 143.929 16.4079   2
   6   3   8 132.985 16.3994   2
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   7   3   8 23.3102 3.98383   2
   7   3   8 19.3716 3.95964   2
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   3   4  -9 319.482 36.6132   1
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   2   4  -9 274.290 32.9095   2
   2   4  -9 293.397 33.7494   1
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  -7  -3   9 -0.8904 1.49164   2
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   6   3  -9 4.23588 1.52340   2
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  -6  -3   9 3.55270 1.35327   2
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   5   3  -9 22.0154 3.84875   2
   5   3  -9 20.7203 3.81086   2
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   4   3  -9 117.751 13.2434   2
   4   3  -9 118.383 13.2510   2
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  -4  -3   9 111.416 13.1311   2
  -4  -3   9 100.882 16.8655   1
   3   3  -9 42.7987 5.12407   2
   3   3  -9 44.2023 5.14832   2
   3   3  -9 42.3548 9.13860   1
  -3  -3   9 40.1876 4.94248   2
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   2   3  -9 135.103 13.7331   2
   2   3  -9 116.009 15.1734   1
   2   3  -9 132.617 13.7226   2
  -2  -3   9 85.2445 15.0460   1
   1   3  -9 324.629 35.0182   2
   1   3  -9 286.117 35.0056   2
  -1   3  -9 78.4138 9.04605   2
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   3  -3   9 61.5036 6.21476   2
   3  -3   9 56.9566 9.39261   1
   3  -3   9 46.7095 6.20109   2
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   4  -3   9 8.11836 5.20842   1
   4  -3   9 11.9076 2.19437   2
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   8  -3   9 16.0175 4.21062   2
   8  -3   9 23.2142 4.46714   2
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   9  -3   9 13.0131 4.08375   2
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   9   2  -9 24.6189 5.39419   2
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   8   2  -9 27.3335 4.98721   2
   8   2  -9 28.1429 4.32278   3
   8   2  -9 18.8083 5.03206   2
  -8  -2   9 22.0251 4.75549   2
  -8  -2   9 25.4878 4.91651   2
   7   2  -9 11.7217 9.67423   1
   7   2  -9 6.23345 1.78301   2
   7   2  -9 5.10983 1.30683   3
   7   2  -9 4.95949 1.83106   2
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  -7  -2   9 4.29863 1.52766   2
  -7  -2   9 9.50968 3.44032   2
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   6   2  -9 6.40749 1.61715   2
   6   2  -9 11.2704 2.70271   3
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  -6  -2   9 8.05848 8.38950   1
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   5   2  -9 5.61236 1.67963   2
   5   2  -9 8.12881 2.88767   2
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   4   2  -9 242.991 28.1859   3
   4   2  -9 241.601 28.1869   2
   4   2  -9 257.517 28.1962   2
  -4  -2   9 253.487 28.1464   2
  -4  -2   9 243.329 28.1346   2
  -4  -2   9 231.428 30.7275   1
   3   2  -9 851.371 95.5249   2
   3   2  -9 846.649 96.9485   1
   3   2  -9 843.688 95.5145   2
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   2   2  -9 2103.89 242.996   2
   2   2  -9 2374.54 243.768   1
   2   2  -9 2149.94 243.017   2
  -2  -2   9 1856.86 243.747   1
   1   2  -9 428.333 49.1368   1
   1   2  -9 450.227 48.8719   2
   1   2  -9 446.099 48.9224   3
   1   2  -9 381.162 48.8689   2
   0   2  -9 32.6791 4.01536   3
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   2  -2   9 402.567 43.1474   1
   2  -2   9 291.623 42.4299   2
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  -3   2  -9 391.173 45.1891   2
   3  -2   9 371.840 45.1497   2
   3  -2   9 403.834 46.3209   1
   3  -2   9 408.895 45.1580   2
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   4  -2   9 26.2962 3.26192   2
   4  -2   9 25.2231 3.26433   2
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   5  -2   9 18.4674 3.19252   2
   5  -2   9 5.56766 5.04396   1
   5  -2   9 34.7731 3.23977   2
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   6  -2   9 57.6930 8.19909   2
   6  -2   9 71.3638 8.42284   2
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  -7   2  -9 39.4265 5.81462   2
   7  -2   9 43.2644 5.74178   2
   7  -2   9 40.4290 5.92148   2
   7  -2   9 40.6996 13.9105   1
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  -8   2  -9 98.3254 11.3405   2
  -8   2  -9 105.980 22.3874   1
   8  -2   9 93.8901 11.3221   2
   8  -2   9 89.9851 11.2392   2
   8  -2   9 77.4694 18.9015   1
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   9  -2   9 1.35834 1.72653   2
   9  -2   9 -0.9101 1.65133   2
   9  -2   9 3.47928 9.47333   1
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   9   1  -9 0.85707 2.02910   2
   9   1  -9 4.70358 2.44715   2
   9   1  -9 4.03644 1.35238   3
  -9  -1   9 2.89728 2.03314   2
  -9  -1   9 2.27157 2.11023   2
   8   1  -9 0.19262 1.72235   2
   8   1  -9 -1.2276 1.86611   2
   8   1  -9 0.14371 1.13692   3
  -8  -1   9 0.17333 1.79414   2
  -8  -1   9 -0.6722 1.58582   2
   7   1  -9 31.1564 4.58407   2
   7   1  -9 18.2876 3.89559   3
   7   1  -9 13.3944 10.4838   1
   7   1  -9 21.1067 4.55900   2
  -7  -1   9 26.2677 4.36679   2
  -7  -1   9 11.5361 11.4500   1
  -7  -1   9 23.7916 4.47505   2
   6   1  -9 17.3273 9.02854   1
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   6   1  -9 20.2110 3.82008   2
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   8   2   9 1.15974 1.55359   2
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   6   3   9 91.2842 18.4944   1
   6   3   9 117.540 13.5048   2
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   7   3   9 13.7413 3.32152   2
   7   3   9 12.9537 3.34587   2
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   8   3   9 0.75302 1.51651   2
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   9   3   9 43.7388 6.21572   2
   9   3   9 36.5927 6.23319   2
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   8  -4  -9 1.09707 1.76257   2
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   7  -4  -9 63.2523 8.69734   2
   7  -4  -9 52.1601 18.8143   1
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   6  -4  -9 92.2344 11.0601   2
   6  -4  -9 94.5263 11.0212   2
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   5  -4  -9 24.6756 4.50009   2
   5  -4  -9 33.6576 9.49507   1
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   4  -4  -9 272.278 34.6971   2
   4  -4  -9 307.956 37.5829   1
  -4   4   9 287.370 37.6033   1
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   3  -4  -9 6.84374 2.40376   2
   3  -4  -9 8.91739 5.79544   1
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   2  -4  -9 6.09865 2.07602   2
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   4   4   9 163.662 18.1105   2
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   5   4   9 388.932 41.7542   2
   5   4   9 358.790 41.7481   2
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   6   4   9 524.067 69.1057   1
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   8   4   9 64.4929 8.30673   2
   8   4   9 65.9756 8.32234   2
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   7  -5  -9 25.7046 4.70102   2
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   5   5   9 55.8326 6.94057   2
   5   5   9 55.8007 7.01517   2
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   6   5   9 151.454 18.3605   2
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   7   5   9 41.6925 5.60688   2
   7   5   9 36.3509 5.64978   2
   7   5   9 31.1718 11.0499   1
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   8   5   9 28.0872 5.17831   2
   8   5   9 29.6454 5.21246   2
   8   5   9 26.0198 12.4042   1
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   9   5   9 31.0596 13.3065   1
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   8  -6  -9 21.5115 5.05395   2
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   7  -6  -9 69.2902 9.06242   2
   7  -6  -9 69.3357 19.9754   1
  -7   6   9 78.3991 9.34161   2
  -7   6   9 51.3420 16.5749   1
   6  -6  -9 34.1338 4.90311   2
   6  -6  -9 29.3292 4.98151   2
   6  -6  -9 21.5746 10.6070   1
  -6   6   9 19.1761 11.3124   1
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   5  -6  -9 14.8895 4.51070   2
   5  -6  -9 23.7288 3.83628   2
   5  -6  -9 15.1746 8.87714   1
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   4  -6  -9 106.501 12.1663   2
   4  -6  -9 100.381 12.1380   2
   4  -6  -9 92.0603 18.0105   1
  -4   6   9 112.249 12.0394   3
  -4   6   9 83.6804 17.8944   1
   3  -6  -9 230.849 26.7020   2
   3  -6  -9 244.519 26.7111   2
   3  -6  -9 230.879 30.1916   1
  -3   6   9 199.451 26.7709   2
  -3   6   9 250.113 26.6475   3
   2  -6  -9 106.823 14.0137   2
   2  -6  -9 80.9571 18.9636   1
   2  -6  -9 104.902 14.0129   2
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   1  -6  -9 52.2201 12.5396   1
   1  -6  -9 46.4195 12.4662   1
   1  -6  -9 54.3089 7.70322   2
   1  -6  -9 55.5204 7.69155   2
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   0  -6  -9 456.050 56.5292   1
   0  -6  -9 499.946 54.7617   2
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   1   6   9 1253.86 148.396   2
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  -2  -6  -9 502.906 56.3511   2
   2   6   9 466.448 58.3173   1
   2   6   9 496.205 56.3135   2
   2   6   9 496.946 56.3207   2
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   3   6   9 159.369 18.1742   2
   3   6   9 148.174 21.4722   1
   3   6   9 159.755 18.1610   2
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   4   6   9 22.9110 3.46878   2
   4   6   9 20.1087 3.43902   2
   4   6   9 19.9187 7.17662   1
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   5   6   9 157.877 18.3202   2
   5   6   9 126.985 22.2621   1
   5   6   9 159.549 18.3061   2
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  -4   5 -11 6.95622 2.54758   2
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   4  -5  11 10.6480 2.13345   2
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   4  -5  11 8.00689 2.05679   2
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   5  -5  11 8.72931 2.43233   2
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   5  -5  11 0.69073 1.00821   2
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  -6   5 -11 2.31589 1.32986   2
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   6  -5  11 5.62499 7.14795   1
   6  -5  11 3.74085 1.34185   2
   6  -5  11 2.77532 1.73381   2
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  -7   5 -11 50.0500 6.31062   2
  -7   5 -11 39.0160 6.21351   2
   7  -5  11 45.9065 6.15984   2
   7  -5  11 49.0265 6.03444   2
   7  -5  11 49.0563 13.2900   1
  -8   5 -11 2.52874 1.85469   2
  -8   5 -11 3.47590 1.66993   2
  -8   5 -11 1.49891 10.1275   1
   8  -5  11 3.33302 11.0649   1
   8  -5  11 3.87842 1.36014   2
   8  -5  11 2.18904 1.55466   2
  -9   5 -11 8.65044 2.42988   2
  -9   5 -11 15.0434 4.26440   2
  -9   5 -11 9.06050 18.0523   1
   9  -5  11 13.4612 3.96984   2
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   9   4 -11 6.72592 2.49946   3
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   8   4 -11 40.7391 7.11073   2
   8   4 -11 43.5599 7.11034   2
   8   4 -11 46.4688 6.49446   3
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   7   4 -11 5.46527 1.94318   2
   7   4 -11 1.17437 1.85054   2
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   5   4 -11 102.638 17.9379   1
   5   4 -11 108.982 12.7443   2
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   4   4 -11 83.1630 9.51216   2
   4   4 -11 73.5087 14.0803   1
   4   4 -11 77.8172 9.56338   2
  -4  -4  11 78.6440 14.1707   1
   3   4 -11 691.423 77.4607   2
   3   4 -11 669.102 78.4484   1
   3   4 -11 707.450 77.4906   2
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   2   4 -11 295.494 30.8975   2
   2   4 -11 248.822 31.2667   1
   2   4 -11 262.005 30.8775   2
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  -2   4 -11 231.112 25.4970   2
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   4  -4  11 96.3645 14.7300   1
   4  -4  11 108.550 11.2039   2
   4  -4  11 77.4415 11.1900   2
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   5  -4  11 8.86779 2.42795   2
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   6  -4  11 9.32309 7.75189   1
   6  -4  11 21.9081 3.55471   2
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   5   3 -11 9.17277 3.01730   2
   5   3 -11 8.53657 7.25746   1
   5   3 -11 8.72621 2.86121   2
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  -5  -3  11 3.97284 1.26659   2
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   4   3 -11 9.72798 2.60945   2
   4   3 -11 4.07369 1.16123   3
   4   3 -11 3.86649 1.22848   2
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   3   3 -11 42.0497 5.52995   3
   3   3 -11 41.7327 5.38081   2
   3   3 -11 47.8004 5.29612   2
   3   3 -11 37.7581 9.46346   1
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   2   3 -11 0.58714 0.89045   3
   2   3 -11 -0.3372 0.69309   2
   2   3 -11 0.06560 3.20550   1
   2   3 -11 0.43354 0.75358   2
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   1   3 -11 68.8610 8.35922   2
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  -3   3 -11 20.0555 2.85234   2
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   3  -3  11 18.5102 6.57011   1
   3  -3  11 19.0611 2.44798   2
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   5  -3  11 17.7273 2.98690   2
   5  -3  11 18.4289 6.83660   1
   5  -3  11 17.6792 3.06443   2
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  -6   3 -11 45.0306 6.13099   2
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   6  -3  11 50.8283 6.03815   2
   6  -3  11 38.6223 12.4070   1
   6  -3  11 46.8489 5.94512   2
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   8  -3  11 2.76168 1.54840   2
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   9  -3  11 0.85833 1.84900   2
   9  -3  11 -0.2220 1.60079   2
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   8   2 -11 5.41878 2.18186   2
   8   2 -11 5.42900 2.06862   2
   8   2 -11 5.14565 1.46113   3
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   7   2 -11 -1.1632 1.58303   2
   7   2 -11 -0.5505 1.69818   2
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   6   2 -11 9.10342 3.23425   2
   6   2 -11 4.57247 1.27176   3
   6   2 -11 4.55867 8.73053   1
  -6  -2  11 4.05905 1.34850   2
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   5   2 -11 119.713 14.3025   2
   5   2 -11 104.744 14.2572   3
   5   2 -11 116.229 19.5936   1
  -5  -2  11 117.344 19.1954   1
  -5  -2  11 128.559 14.2102   2
  -5  -2  11 132.772 14.2047   2
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   4   2 -11 204.743 28.7222   3
   4   2 -11 268.793 28.6603   2
   4   2 -11 243.156 31.5153   1
  -4  -2  11 257.526 31.2333   1
  -4  -2  11 248.612 28.5493   2
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   3   2 -11 143.924 17.0175   3
   3   2 -11 143.642 19.6574   1
   3   2 -11 150.318 17.0157   2
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   2   2 -11 129.054 14.4405   2
   2   2 -11 122.381 14.5215   3
   2   2 -11 117.870 16.1562   1
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   1   2 -11 135.056 13.2427   2
   1   2 -11 125.123 13.3430   3
   1   2 -11 99.3264 13.2424   2
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  -2   2 -11 2112.99 241.049   2
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   2  -2  11 2201.02 241.408   1
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   3  -2  11 503.986 52.2324   1
   3  -2  11 342.328 51.0720   2
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   5  -2  11 73.3891 13.9465   1
   5  -2  11 89.7282 9.70918   2
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   6  -2  11 90.4080 11.0428   2
   6  -2  11 94.0185 11.0821   2
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   7  -2  11 42.8924 6.49310   2
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   8  -2  11 24.2997 4.23184   2
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   9  -2  11 4.78979 1.84184   2
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   8   1 -11 5.32288 2.09134   2
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   7   1 -11 -0.7460 1.68090   2
   7   1 -11 -0.4168 1.15508   3
   7   1 -11 -0.9047 1.69888   2
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   6   1 -11 3.63238 1.58124   2
   6   1 -11 1.73051 8.81169   1
   6   1 -11 10.0755 3.41395   2
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   5   1 -11 42.1979 5.48270   2
   5   1 -11 33.7285 9.95944   1
   5   1 -11 39.4348 5.56184   2
   5   1 -11 39.3432 5.34146   3
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   4   1 -11 42.8582 5.41616   2
   4   1 -11 34.7510 9.15796   1
   4   1 -11 43.1561 5.42520   2
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   3   1 -11 93.2951 10.1061   2
   3   1 -11 76.6414 14.0029   1
   3   1 -11 88.4738 10.1370   2
   3   1 -11 85.3319 10.1356   3
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  -3  -1  11 75.1671 13.4534   1
   2   1 -11 260.406 30.8459   3
   2   1 -11 259.936 32.3137   1
   2   1 -11 283.818 30.8170   2
   2   1 -11 268.052 30.8191   2
   1   1 -11 46.6508 5.70780   2
   1   1 -11 52.8994 5.80330   3
   1   1 -11 45.5939 7.88822   1
   1   1 -11 47.9013 5.66463   2
   1   1 -11 44.7125 7.34897   1
   0   1 -11 4.46200 0.77208   2
   0   1 -11 4.90334 0.81775   2
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  -2   1 -11 906.443 101.981   2
   2  -1  11 913.261 102.537   1
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  -3   1 -11 33.9367 4.28110   2
  -3   1 -11 33.5339 4.21421   2
   3  -1  11 29.4432 4.04244   2
   3  -1  11 31.5750 7.74818   1
   3  -1  11 35.4406 4.07493   2
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   4  -1  11 67.2619 7.41635   2
   4  -1  11 66.8286 7.43321   2
   4  -1  11 55.4405 10.9691   1
  -5   1 -11 40.8881 12.2398   1
  -5   1 -11 44.8140 6.01266   2
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   5  -1  11 48.1433 5.83358   2
   5  -1  11 46.4353 10.8241   1
   5  -1  11 48.0649 5.84304   2
  -6   1 -11 187.874 22.2120   2
  -6   1 -11 207.899 22.2050   2
  -6   1 -11 222.974 27.0702   1
   6  -1  11 214.126 22.1356   2
   6  -1  11 105.669 23.8988   1
   6  -1  11 206.202 22.1306   2
  -7   1 -11 22.2628 4.04638   2
  -7   1 -11 23.1052 9.51611   1
  -7   1 -11 17.7155 4.09553   2
   7  -1  11 18.6615 3.81834   2
  -8   1 -11 33.4739 5.05564   2
  -8   1 -11 32.9109 11.2143   1
  -8   1 -11 25.6719 4.80361   2
   8  -1  11 23.3920 6.35158   2
   8  -1  11 24.7683 10.3258   1
   8  -1  11 25.6143 4.68220   2
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  -9   1 -11 50.7690 6.92708   2
  -9   1 -11 49.4509 6.82869   2
   9  -1  11 46.3235 6.78604   2
   9  -1  11 36.0817 12.8041   1
   9  -1  11 48.1008 6.73026   2
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  10  -1  11 0.63170 1.82604   2
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  11  -1  11 5.85751 2.24148   2
  11  -1  11 6.27552 2.23515   2
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 -12   1 -11 2.33639 2.60438   2
  12  -1  11 1.22972 2.36235   2
   9   0 -11 1.61223 2.66081   2
  -9   0  11 -0.8241 2.38407   2
  -9   0  11 0.28504 2.14304   2
   8   0 -11 13.6778 4.67517   2
   8   0 -11 13.6711 4.45610   2
  -8   0  11 17.5224 4.35368   2
  -8   0  11 20.4637 4.50973   2
   7   0 -11 9.30206 2.07580   2
   7   0 -11 8.41706 1.96053   2
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   9   3  11 72.6290 9.28398   2
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   6  -4 -11 20.9069 4.29919   2
   6  -4 -11 24.6279 4.34780   2
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   5  -4 -11 30.1052 4.65830   2
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   4  -4 -11 136.964 15.9949   2
   4  -4 -11 129.729 20.6746   1
  -4   4  11 132.724 16.0183   2
  -4   4  11 133.140 20.9605   1
   3  -4 -11 186.558 21.0930   2
   3  -4 -11 173.275 24.5810   1
   3  -4 -11 184.169 21.0966   2
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   2   1 -12 81.2010 8.78372   2
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   2   1  12 5.76737 1.54621   2
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   2   1  12 5.70011 4.01876   1
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   3   1  12 172.214 22.5802   1
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   4   1  12 56.0146 6.52575   2
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   5   1  12 64.8792 7.69083   2
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   9   1  12 31.5764 5.41124   2
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   4  -2 -12 11.0278 2.86766   2
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   3  -2 -12 13.7673 6.68412   1
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   2  -2 -12 246.533 27.6091   2
   2  -2 -12 234.460 29.7642   1
   2  -2 -12 236.614 27.5925   2
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   3  -6 -12 482.112 55.6959   2
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   6   6  12 261.644 31.3217   2
   6   6  12 229.732 35.1547   1
   6   6  12 282.097 31.3360   2
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   7   6  12 68.3487 18.5820   1
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   5   4  19 117.722 13.4044   2
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   3   6  22 80.3844 8.90347   2
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   4   6  22 2.10168 1.45350   2
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   5   6  22 1.83904 1.50144   2
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   6   6  22 4.24275 1.67329   2
   6   6  22 1.58864 2.00728   2
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   0   7  22 3.40367 1.32265   2
   0   7  22 2.31343 1.49304   2
   1   7  22 17.7303 3.47798   2
   1   7  22 18.7749 3.71190   2
  -2  -7 -22 32.4144 5.62706   2
   2   7  22 22.6579 4.22162   2
   2   7  22 24.6198 4.29815   2
  -3  -7 -22 13.1834 4.62688   2
   3   7  22 0.00789 1.42387   2
   3   7  22 0.84147 1.80005   2
   3   7  22 -1.4467 1.38220   3
  -4  -7 -22 4.16548 2.28514   2
   4   7  22 1.16124 1.63834   2
   4   7  22 2.94318 1.28665   3
   4   7  22 1.74928 1.56824   2
  -5  -7 -22 4.54257 3.48767   2
   5   7  22 2.62065 1.74140   2
   5   7  22 2.43072 1.32772   3
   5   7  22 3.79816 1.68924   2
   6   7  22 5.19689 2.44528   2
   6   7  22 2.66693 1.36196   3
   1   8  22 90.4912 11.0688   2
   2   8  22 21.6222 5.46443   2
   2   8  22 37.6014 5.00342   2
   2   8  22 21.0695 4.96728   3
   3   8  22 5.02851 1.86379   2
   3   8  22 2.81972 1.47082   3
   3   8  22 6.61764 1.89212   2
   4   8  22 3.46568 2.44755   2
   4   8  22 4.41834 1.79693   2
   4   8  22 6.49918 1.51261   3
   5   8  22 14.1021 5.11117   2
   5   8  22 9.37518 1.81740   3
   2   9  22 16.5522 4.37032   2
   3   9  22 6.75199 1.81870   3
   3   9  22 12.8587 4.44379   2
   4   9  22 0.81803 1.38533   3
  -5   3 -23 0.49000 1.39870   2
  -5   2 -23 15.2094 3.90988   2
  -4   1 -23 3.03978 1.42113   2
  -5   1 -23 1.10138 1.65198   2
  -6   1 -23 27.0302 5.35679   2
  -3   0 -23 76.3560 9.47965   2
  -3   0 -23 79.4213 9.55060   2
  -4   0 -23 42.0594 6.02632   2
  -5   0 -23 12.1148 4.27938   2
  -1  -1 -23 1.23796 1.29386   2
  -1  -1 -23 1.21036 1.29827   2
  -2  -1 -23 1.39939 1.44242   2
  -3  -1 -23 10.6294 3.49021   2
  -4  -1 -23 -0.1339 1.66495   2
  -5  -1 -23 0.38281 2.63682   2
  -6  -1 -23 13.7573 4.84930   2
   0  -2 -23 0.82219 1.40961   2
  -1  -2 -23 2.08119 1.52422   2
  -3  -2 -23 5.64218 1.78986   2
  -4  -2 -23 5.47958 2.47222   2
  -5  -2 -23 3.44304 2.05377   2
  -6  -2 -23 -0.0464 2.45218   2
   0  -3 -23 0.80764 1.69182   2
  -1  -3 -23 -0.5357 1.63680   2
  -2  -3 -23 1.50509 1.81293   2
  -3  -3 -23 -1.5601 2.33732   2
  -4  -3 -23 0.79489 1.84418   2
   6   3  23 2.63093 1.13249   2
   0  -4 -23 43.6961 6.45356   2
  -1  -4 -23 28.9971 5.50507   2
  -2  -4 -23 4.66167 2.14334   2
  -3  -4 -23 23.5021 4.99995   2
  -5  -4 -23 4.69545 2.28491   2
   6   4  23 0.93447 1.42542   2
  -1  -5 -23 1.28700 2.08762   2
  -2  -5 -23 5.04916 2.07232   2
  -3  -5 -23 6.22085 2.26217   2
  -4  -5 -23 13.9536 5.08985   2
   5   5  23 1.33152 1.39652   2
   5   5  23 0.24357 1.27511   2
   6   5  23 2.73424 1.47017   2
  -3  -6 -23 10.3117 6.05079   2
   3   6  23 66.0538 5.55438   2
   3   6  23 46.2944 5.49746   2
   4   6  23 26.8013 4.60798   2
   4   6  23 30.9584 4.40535   2
   5   6  23 17.8376 3.83318   2
   0   0   0    0.00    0.00   0
 _exptl_absorpt_process_details
)
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
)
 _exptl_absorpt_correction_type   multi-scan
 _exptl_absorpt_correction_T_max  0.2627
 _exptl_absorpt_correction_T_min  0.1896
 _exptl_special_details
)
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71108    9.679   15.703   17.988   86.256   74.834   88.462
)
;
_shelx_hkl_checksum              11785
_shelx_res_file
;
TITL BO59_0m in P-1
    BO59_0m.res
    created by SHELXL-2018/1 at 08:25:40 on 31-Jan-2018
CELL 0.71073   9.69030  15.66790  17.98500  86.4297  74.8477  88.9701
ZERR    4.00   0.00130   0.00210   0.00220   0.0049   0.0043   0.0046
LATT  1
SFAC C H N CL CO O
UNIT 92 160 20 8 4 4
LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!!
TEMP -123.160
SIZE 0.09 0.25 0.36
OMIT      0  -2   1
L.S. 16
BOND $H
ACTA
CONF
HTAB
FMAP 2
PLAN 20
simu 0.01 O1A > C23C
SIMU 0.01 O1B > C23D
SHEL 99 0.82
DFIX 1.427 O1A C23A O1B C23B O1C C23C O1D C23D
DFIX 2.1 H1OA Cl2A
DFIX 2.2 H1OB Cl2B
DFIX 2.4 H1OC Cl2A
DFIX 2.3 H1OD Cl2B
HTAB
EQIV $1 x, y-1, z
HTAB N1A Cl2B_$1
EQIV $2 -x+1, -y, -z+1
HTAB N2A Cl1A_$2
HTAB N3A O1A
HTAB N3A O1C
HTAB N4A N5A
HTAB N1B Cl2A
EQIV $5 -x+1, -y+1, -z+1
HTAB N2B Cl1B_$5
HTAB N3B O1B
HTAB N3B O1D
HTAB N4B N5B
HTAB O1A Cl2A
HTAB O1B Cl2B
HTAB O1C Cl2A
HTAB O1D Cl2B
HTAB C9A Cl1A_$2
HTAB C10A Cl1A_$2
HTAB C14A Cl2A
HTAB C16A Cl1A
EQIV $3 x+1, y, z
HTAB C17A O1A_$3
HTAB C18A Cl1A
HTAB C20A Cl2A_$3
EQIV $4 -x+2, -y+1, -z
HTAB C22A Cl2B_$4
HTAB C9B Cl2A
HTAB C10B Cl1B_$5
HTAB C16B Cl1B
EQIV $6 x-1, y, z
HTAB C17B O1B_$6
HTAB C18B Cl1B
EQIV $7 -x+1, -y+1, -z
HTAB C22B Cl2A_$7
TWIN 1 0 0 0 -1 0 1 0 -1
WGHT    0.069600   11.846800
BASF   0.20212
FVAR       0.40595   0.64333
CO1A  5    0.617681    0.014714    0.308683    11.00000    0.04421    0.04504 =
         0.03561   -0.01583   -0.00752    0.00339
N1A   3    0.778797   -0.041917    0.340143    11.00000    0.04959    0.06903 =
         0.04369   -0.02318   -0.00905    0.01521
AFIX  13
H1NA  2    0.829233   -0.077073    0.296580    11.00000   -1.20000
AFIX   0
N2A   3    0.496277   -0.076230    0.373764    11.00000    0.05082    0.04930 =
         0.04443   -0.01635   -0.00035    0.00020
AFIX  13
H2NA  2    0.450208   -0.050764    0.423916    11.00000   -1.20000
AFIX   0
N3A   3    0.458739    0.071250    0.275662    11.00000    0.05178    0.06936 =
         0.05450   -0.01675   -0.01067    0.01088
AFIX  13
H3N   2    0.406483    0.106342    0.318867    11.00000   -1.20000
AFIX   0
N4A   3    0.739116    0.105642    0.243187    11.00000    0.04769    0.05661 =
         0.04315   -0.01616   -0.00271   -0.00028
AFIX  13
H4N   2    0.785258    0.079950    0.193153    11.00000   -1.20000
AFIX   0
CL1A  4    0.563340    0.098331    0.415064    11.00000    0.06132    0.04838 =
         0.03940   -0.01885   -0.00212    0.00055
CL2A  4    0.260046    0.325329    0.250874    11.00000    0.07621    0.08570 =
         0.06792   -0.02796   -0.02855   -0.00935
C1A   1    0.655004   -0.051875    0.221286    11.00000    0.03754    0.04894 =
         0.03631   -0.00574   -0.01358   -0.00544
C2A   1    0.675082   -0.083994    0.161210    11.00000    0.05170    0.04322 =
         0.05058   -0.01155   -0.01259    0.00162
C3A   1    0.688877   -0.119665    0.087490    11.00000    0.05467    0.04316 =
         0.04131   -0.01541   -0.00947   -0.00163
C4A   1    0.803067   -0.172443    0.054513    11.00000    0.04400    0.06151 =
         0.04590   -0.01679   -0.01114    0.00147
AFIX  43
H4A   2    0.874578   -0.186079    0.080791    11.00000   -1.20000
AFIX   0
C5A   1    0.812297   -0.204744   -0.015914    11.00000    0.06427    0.06977 =
         0.04611   -0.02446   -0.00263    0.00560
AFIX  43
H5A   2    0.891119   -0.240020   -0.038270    11.00000   -1.20000
AFIX   0
C6A   1    0.707585   -0.186473   -0.055038    11.00000    0.07021    0.07181 =
         0.04654   -0.02946   -0.01086   -0.00321
AFIX  43
H6A   2    0.713826   -0.209682   -0.103368    11.00000   -1.20000
AFIX   0
C7A   1    0.595764   -0.134611   -0.022726    11.00000    0.06461    0.09524 =
         0.05251   -0.03209   -0.02428    0.00530
AFIX  43
H7A   2    0.524563   -0.120991   -0.049218    11.00000   -1.20000
AFIX   0
C8A   1    0.585480   -0.102106    0.047529    11.00000    0.05586    0.07953 =
         0.05776   -0.03353   -0.02106    0.01965
AFIX  43
H8A   2    0.506234   -0.066898    0.069388    11.00000   -1.20000
AFIX   0
C9A   1    0.718926   -0.102910    0.406870    11.00000    0.07343    0.07766 =
         0.03919   -0.01502   -0.01488    0.03040
AFIX  23
H9A   2    0.688548   -0.072062    0.454890    11.00000   -1.20000
H9B   2    0.792020   -0.145826    0.412962    11.00000   -1.20000
AFIX   0
C10A  1    0.594251   -0.145684    0.391666    11.00000    0.08854    0.04335 =
         0.04102   -0.00993   -0.00357    0.00844
AFIX  23
H10A  2    0.544055   -0.181895    0.437502    11.00000   -1.20000
H10B  2    0.626109   -0.182348    0.347441    11.00000   -1.20000
AFIX   0
C11A  1    0.377102   -0.113046    0.346656    11.00000    0.05745    0.07855 =
         0.06404   -0.03110   -0.00069   -0.01019
AFIX  13
H11A  2    0.420573   -0.144014    0.299114    11.00000   -1.20000
AFIX   0
C12A  1    0.281324   -0.041171    0.325424    11.00000    0.04465    0.11624 =
         0.09347   -0.04280   -0.01468   -0.00569
AFIX  23
H12A  2    0.196174   -0.067506    0.315582    11.00000   -1.20000
H12B  2    0.247585   -0.005835    0.370450    11.00000   -1.20000
AFIX   0
C13A  1    0.350676    0.016530    0.256606    11.00000    0.03899    0.10860 =
         0.07779   -0.02920   -0.02168    0.00576
AFIX  23
H13A  2    0.397348   -0.018234    0.212805    11.00000   -1.20000
H13B  2    0.277209    0.052945    0.241060    11.00000   -1.20000
AFIX   0
C14A  1    0.519511    0.132033    0.208514    11.00000    0.06709    0.07177 =
         0.05939   -0.00346   -0.02264    0.01696
AFIX  23
H14A  2    0.551017    0.100970    0.160665    11.00000   -1.20000
H14B  2    0.446823    0.174949    0.201806    11.00000   -1.20000
AFIX   0
C15A  1    0.643440    0.174623    0.225064    11.00000    0.08743    0.03687 =
         0.05978   -0.00244   -0.01215   -0.00178
AFIX  23
H15A  2    0.694739    0.211069    0.179653    11.00000   -1.20000
H15B  2    0.610502    0.210975    0.269437    11.00000   -1.20000
AFIX   0
C16A  1    0.859141    0.142031    0.270804    11.00000    0.06093    0.08502 =
         0.04870   -0.02415   -0.00011   -0.01817
AFIX  13
H16A  2    0.815270    0.171724    0.319035    11.00000   -1.20000
AFIX   0
C17A  1    0.954194    0.070321    0.290968    11.00000    0.03873    0.11079 =
         0.08423   -0.04183   -0.01035   -0.00289
AFIX  23
H17A  2    0.987990    0.035929    0.245309    11.00000   -1.20000
H17B  2    1.039348    0.096507    0.300940    11.00000   -1.20000
AFIX   0
C18A  1    0.888941    0.012642    0.357004    11.00000    0.04392    0.10913 =
         0.06729   -0.03495   -0.02215    0.00708
AFIX  23
H18A  2    0.844549    0.046511    0.401819    11.00000   -1.20000
H18B  2    0.963817   -0.024104    0.370752    11.00000   -1.20000
AFIX   0
C19A  1    0.289152   -0.176171    0.406314    11.00000    0.09218    0.10603 =
         0.07059   -0.03046    0.00710   -0.03636
AFIX 137
H19A  2    0.210307   -0.197073    0.387651    11.00000   -1.50000
H19B  2    0.250407   -0.148039    0.454590    11.00000   -1.50000
H19C  2    0.349609   -0.224409    0.415455    11.00000   -1.50000
AFIX   0
C20A  1    0.944801    0.207650    0.211999    11.00000    0.08816    0.11208 =
         0.06894   -0.04395    0.01856   -0.04107
AFIX 137
H20A  2    0.986244    0.180671    0.163398    11.00000   -1.50000
H20B  2    1.021608    0.229986    0.231493    11.00000   -1.50000
H20C  2    0.881893    0.254689    0.203115    11.00000   -1.50000
AFIX   0
N5A   3    0.834778    0.093842    0.060699    11.00000    0.09533    0.08530 =
         0.05708   -0.01860    0.00861   -0.01624
C21A  1    0.850723    0.075074   -0.000492    11.00000    0.07042    0.06694 =
         0.05029   -0.00706   -0.00020   -0.00444
C22A  1    0.873827    0.050378   -0.079402    11.00000    0.10668    0.09008 =
         0.05083   -0.01677   -0.02066    0.00670
AFIX 137
H22A  2    0.936081    0.092343   -0.114642    11.00000   -1.20000
H22B  2    0.781824    0.048281   -0.092333    11.00000   -1.20000
H22C  2    0.919151   -0.006138   -0.084429    11.00000   -1.20000
AFIX   0
PART 1
O1A   6    0.218074    0.169532    0.349716    21.00000    0.08394    0.11000 =
         0.10346   -0.02023   -0.01047    0.01553
AFIX 147
H1OA  2    0.212874    0.212254    0.319941    21.00000   -1.50000
AFIX   0
C23A  1    0.180033    0.193091    0.424964    21.00000    0.09995    0.11856 =
         0.10919   -0.00936   -0.01208    0.00095
AFIX 137
H23A  2    0.109879    0.239644    0.430125    21.00000   -1.50000
H23B  2    0.265050    0.212429    0.438940    21.00000   -1.50000
H23C  2    0.138126    0.143948    0.459322    21.00000   -1.50000
AFIX   0
PART 2
O1C   6    0.242427    0.183807    0.386263   -21.00000    0.08983    0.10500 =
         0.08735   -0.04494   -0.00562    0.01140
AFIX 147
H1OC  2    0.239863    0.232379    0.364083   -21.00000   -1.50000
AFIX   0
C23C  1    0.104387    0.162630    0.434117   -21.00000    0.10238    0.12225 =
         0.11151   -0.02901   -0.01747    0.01070
AFIX 137
H23G  2    0.086964    0.193084    0.481681   -21.00000   -1.50000
H23H  2    0.098976    0.100852    0.446920   -21.00000   -1.50000
H23I  2    0.032010    0.179346    0.406757   -21.00000   -1.50000
AFIX   0
PART 0
CO2B  5    0.591895    0.514349    0.309082    11.00000    0.05029    0.04511 =
         0.03003   -0.01490   -0.00803   -0.00358
N1B   3    0.395780    0.471428    0.331154    11.00000    0.04426    0.06446 =
         0.03253   -0.02397   -0.00352   -0.00679
AFIX  13
H1BN  2    0.393494    0.435702    0.287316    11.00000   -1.20000
AFIX   0
N2B   3    0.626739    0.418961    0.380860    11.00000    0.05716    0.05193 =
         0.03603   -0.01350   -0.01361   -0.00882
AFIX  13
H2BN  2    0.617373    0.444572    0.431508    11.00000   -1.20000
AFIX   0
N3B   3    0.788729    0.556426    0.285870    11.00000    0.05660    0.06055 =
         0.04672   -0.00898   -0.00884   -0.01262
AFIX  13
H3BN  2    0.792992    0.591556    0.329769    11.00000   -1.20000
AFIX   0
N4B   3    0.555290    0.609892    0.237641    11.00000    0.05511    0.05725 =
         0.03326   -0.01701   -0.01086   -0.00448
AFIX  13
H4BN  2    0.562605    0.583899    0.187359    11.00000   -1.20000
AFIX   0
CL1B  4    0.534000    0.599784    0.413942    11.00000    0.08078    0.04780 =
         0.03255   -0.01826   -0.01372   -0.00219
CL2B  4    1.009273    0.815172    0.258852    11.00000    0.06004    0.07606 =
         0.06282   -0.02105   -0.00520    0.01075
C1B   1    0.646139    0.445641    0.222375    11.00000    0.03062    0.04641 =
         0.03532   -0.00204   -0.00414   -0.00063
C2B   1    0.681197    0.412648    0.163844    11.00000    0.04834    0.05228 =
         0.03430   -0.00959   -0.00772   -0.00338
C3B   1    0.731975    0.375929    0.090332    11.00000    0.05207    0.04282 =
         0.03902   -0.01562   -0.00580    0.00551
C4B   1    0.644511    0.326578    0.060005    11.00000    0.05187    0.06984 =
         0.04303   -0.01884   -0.01404    0.00626
AFIX  43
H4B   2    0.547887    0.316858    0.088000    11.00000   -1.20000
AFIX   0
C5B   1    0.697367    0.291275   -0.011071    11.00000    0.08515    0.07094 =
         0.05038   -0.02633   -0.02940    0.00603
AFIX  43
H5B   2    0.637176    0.256167   -0.030271    11.00000   -1.20000
AFIX   0
C6B   1    0.834280    0.306378   -0.053504    11.00000    0.07998    0.07405 =
         0.03781   -0.02502   -0.01269    0.01915
AFIX  43
H6B   2    0.867752    0.284395   -0.103101    11.00000   -1.20000
AFIX   0
C7B   1    0.924372    0.354052   -0.023776    11.00000    0.06082    0.09644 =
         0.04013   -0.02186    0.00133    0.01182
AFIX  43
H7B   2    1.020872    0.363277   -0.052210    11.00000   -1.20000
AFIX   0
C8B   1    0.872947    0.388361    0.047883    11.00000    0.05485    0.07342 =
         0.04208   -0.01493   -0.00763   -0.00017
AFIX  43
H8B   2    0.935195    0.420783    0.068086    11.00000   -1.20000
AFIX   0
C9B   1    0.372438    0.411673    0.399954    11.00000    0.06044    0.06718 =
         0.03302   -0.02041   -0.00391   -0.00954
AFIX  23
H9C   2    0.289548    0.374362    0.402959    11.00000   -1.20000
H9D   2    0.352400    0.443928    0.447242    11.00000   -1.20000
AFIX   0
C10B  1    0.505794    0.358238    0.393534    11.00000    0.08172    0.04002 =
         0.03513   -0.00911   -0.00924   -0.01658
AFIX  23
H10C  2    0.498040    0.321866    0.441468    11.00000   -1.20000
H10D  2    0.520186    0.320845    0.349743    11.00000   -1.20000
AFIX   0
C11B  1    0.768542    0.371729    0.363127    11.00000    0.06933    0.06490 =
         0.04745   -0.01222   -0.02035    0.00551
AFIX  13
H11B  2    0.777874    0.340922    0.314997    11.00000   -1.20000
AFIX   0
C12B  1    0.889877    0.434830    0.348730    11.00000    0.05717    0.07995 =
         0.07851   -0.01767   -0.02010   -0.00230
AFIX  23
H12C  2    0.874830    0.470030    0.394028    11.00000   -1.20000
H12D  2    0.980056    0.402558    0.344698    11.00000   -1.20000
AFIX   0
C13B  1    0.907052    0.492633    0.278839    11.00000    0.03785    0.08413 =
         0.08569   -0.01194   -0.01340   -0.00636
AFIX  23
H13C  2    0.910668    0.458133    0.234084    11.00000   -1.20000
H13D  2    0.999091    0.523341    0.268845    11.00000   -1.20000
AFIX   0
C14B  1    0.811391    0.616347    0.217659    11.00000    0.05978    0.06469 =
         0.05629   -0.00941   -0.01180   -0.01934
AFIX  23
H14C  2    0.832464    0.584310    0.170222    11.00000   -1.20000
H14D  2    0.893730    0.653966    0.215046    11.00000   -1.20000
AFIX   0
C15B  1    0.679165    0.668951    0.223393    11.00000    0.08070    0.04415 =
         0.04809   -0.00134   -0.01456   -0.01858
AFIX  23
H15C  2    0.665991    0.707561    0.266245    11.00000   -1.20000
H15D  2    0.687243    0.704296    0.174867    11.00000   -1.20000
AFIX   0
C16B  1    0.414185    0.657521    0.255967    11.00000    0.06217    0.06548 =
         0.04959   -0.01861   -0.01470    0.00451
AFIX  13
H16B  2    0.403605    0.685615    0.305583    11.00000   -1.20000
AFIX   0
C17B  1    0.295867    0.593951    0.267359    11.00000    0.05527    0.07984 =
         0.07062   -0.02132   -0.02527    0.01185
AFIX  23
H17C  2    0.205170    0.625546    0.271000    11.00000   -1.20000
H17D  2    0.313897    0.560080    0.221097    11.00000   -1.20000
AFIX   0
C18B  1    0.277114    0.533870    0.336647    11.00000    0.03742    0.08114 =
         0.07276   -0.02731   -0.00868   -0.00251
AFIX  23
H18C  2    0.269110    0.567323    0.382512    11.00000   -1.20000
H18D  2    0.186457    0.502234    0.344353    11.00000   -1.20000
AFIX   0
C19B  1    0.780188    0.306412    0.427381    11.00000    0.08800    0.06883 =
         0.06534   -0.01665   -0.03241    0.00120
AFIX 137
H19D  2    0.772775    0.335568    0.474926    11.00000   -1.50000
H19E  2    0.872543    0.276960    0.412692    11.00000   -1.50000
H19F  2    0.702753    0.264613    0.435934    11.00000   -1.50000
AFIX   0
C20B  1    0.406861    0.726804    0.193465    11.00000    0.09947    0.07456 =
         0.05829   -0.01909   -0.02995    0.01293
AFIX 137
H20D  2    0.428670    0.701604    0.143168    11.00000   -1.50000
H20E  2    0.476638    0.771659    0.192445    11.00000   -1.50000
H20F  2    0.310578    0.751593    0.204690    11.00000   -1.50000
AFIX   0
N5B   3    0.645546    0.596315    0.057452    11.00000    0.16075    0.07393 =
         0.05239   -0.01825   -0.03532    0.01876
C21B  1    0.668231    0.571900   -0.001645    11.00000    0.09324    0.05963 =
         0.05298   -0.01287   -0.02516    0.00812
C22B  1    0.698258    0.540120   -0.077932    11.00000    0.12012    0.10107 =
         0.04984   -0.03006   -0.01722    0.03173
AFIX 137
H22D  2    0.749261    0.485480   -0.078549    11.00000   -1.20000
H22E  2    0.757615    0.581550   -0.115273    11.00000   -1.20000
H22F  2    0.608273    0.531768   -0.091733    11.00000   -1.20000
AFIX   0
part 1
O1B   6    0.950845    0.655869    0.361246    21.00000    0.07545    0.10178 =
         0.06621   -0.01071   -0.02039   -0.02516
AFIX 147
H1OB  2    0.941678    0.702341    0.337067    21.00000   -1.50000
AFIX   0
C23B  1    0.926604    0.669474    0.440732    21.00000    0.08628    0.11237 =
         0.08845   -0.01163   -0.01327   -0.03604
AFIX 137
H23D  2    0.824619    0.680101    0.463023    21.00000   -1.50000
H23E  2    0.981943    0.719040    0.446957    21.00000   -1.50000
H23F  2    0.956472    0.618697    0.467229    21.00000   -1.50000
AFIX   0
part 2
O1D   6    0.874386    0.678032    0.390568   -21.00000    0.09559    0.11100 =
         0.07532   -0.01784   -0.02489   -0.02532
AFIX 147
H1OD  2    0.897893    0.717883    0.356287   -21.00000   -1.50000
AFIX   0
C23D  1    0.973770    0.673538    0.437130   -21.00000    0.09436    0.11489 =
         0.08247   -0.00556   -0.00460   -0.02214
AFIX 137
H23J  2    0.951267    0.718179    0.474309   -21.00000   -1.50000
H23K  2    1.070979    0.682050    0.404077   -21.00000   -1.50000
H23L  2    0.967165    0.617307    0.464908   -21.00000   -1.50000
AFIX   0
HKLF 4
REM  BO59_0m in P-1
REM R1 =  0.0867 for    7643 Fo > 4sig(Fo)  and  0.1142 for all    9687 data
REM    629 parameters refined using     80 restraints
END
WGHT      0.0695     11.8543
REM Instructions for potential hydrogen bonds
HTAB N1A Cl2B_$1
HTAB N2A Cl1A_$2
HTAB N3A O1A
HTAB N3A O1C
HTAB N4A N5A
HTAB C9A Cl1A_$2
HTAB C10A Cl1A_$2
HTAB C14A Cl2A
HTAB C16A Cl1A
HTAB C17A O1A_$3
HTAB C18A Cl1A
HTAB C20A Cl2A_$3
HTAB C22A Cl2B_$4
HTAB O1A Cl2A
HTAB O1C Cl2A
HTAB N1B Cl2A
HTAB N2B Cl1B_$5
HTAB N3B O1B
HTAB N3B O1D
HTAB N4B N5B
HTAB C9B Cl2A
HTAB C10B Cl1B_$5
HTAB C16B Cl1B
HTAB C17B O1B_$6
HTAB C18B Cl1B
HTAB C22B Cl2A_$7
HTAB O1B Cl2B
HTAB O1D Cl2B
REM Highest difference peak  0.927,  deepest hole -1.405,  1-sigma level  0.099
Q1    1   0.5981  0.5705  0.2789  11.00000  0.05    0.93
Q2    1   0.5701  0.4563  0.3300  11.00000  0.05    0.86
Q3    1   0.6258  0.0759  0.2891  11.00000  0.05    0.83
Q4    1   0.5415  0.0117  0.3095  11.00000  0.05    0.81
Q5    1   0.5987 -0.0476  0.3300  11.00000  0.05    0.74
Q6    1   0.5944 -0.0177  0.3689  11.00000  0.05    0.71
Q7    1   0.5813  0.4765  0.3693  11.00000  0.05    0.66
Q8    1   0.2242  0.2720  0.2835  11.00000  0.05    0.64
Q9    1   0.5788  0.1512  0.3829  11.00000  0.05    0.56
Q10   1   0.5469  0.6509  0.3794  11.00000  0.05    0.56
Q11   1   0.6161 -0.0575  0.3130  11.00000  0.05    0.55
Q12   1   0.4393  0.6003  0.4189  11.00000  0.05    0.54
Q13   1   0.6598  0.4769  0.3625  11.00000  0.05    0.53
Q14   1   0.5845  0.1377  0.3623  11.00000  0.05    0.51
Q15   1   0.4938  0.5164  0.3051  11.00000  0.05    0.49
Q16   1   0.9313  0.8143  0.2498  11.00000  0.05    0.46
Q17   1   0.5179  0.5415  0.4359  11.00000  0.05    0.46
Q18   1   0.5091  0.5532  0.4574  11.00000  0.05    0.45
Q19   1   0.7560  0.1265  0.0315  11.00000  0.05    0.45
Q20   1   0.8670  0.2197  0.2731  11.00000  0.05    0.45
;
_shelx_res_checksum              48186
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co1A 0.61768(10) 0.01471(6) 0.30868(5) 0.0416(3) Uani d 1 . .
N N1A 0.7788(7) -0.0419(4) 0.3401(4) 0.0540(16) Uani d 1 . .
H H1NA 0.829233 -0.077073 0.296580 0.065 Uiso calc 1 . .
N N2A 0.4963(7) -0.0762(4) 0.3738(4) 0.0499(15) Uani d 1 . .
H H2NA 0.450208 -0.050764 0.423916 0.060 Uiso calc 1 . .
N N3A 0.4587(7) 0.0713(5) 0.2757(4) 0.0587(17) Uani d 1 . .
H H3N 0.406483 0.106342 0.318867 0.070 Uiso calc 1 . .
N N4A 0.7391(7) 0.1056(4) 0.2432(4) 0.0503(15) Uani d 1 . .
H H4N 0.785258 0.079950 0.193153 0.060 Uiso calc 1 . .
Cl Cl1A 0.5633(2) 0.09833(12) 0.41506(10) 0.0511(5) Uani d 1 . .
Cl Cl2A 0.2600(3) 0.32533(17) 0.25087(14) 0.0737(7) Uani d 1 . .
C C1A 0.6550(7) -0.0519(4) 0.2213(4) 0.0400(14) Uani d 1 . .
C C2A 0.6751(8) -0.0840(5) 0.1612(4) 0.0483(17) Uani d 1 . .
C C3A 0.6889(8) -0.1197(4) 0.0875(4) 0.0464(16) Uani d 1 . .
C C4A 0.8031(8) -0.1724(5) 0.0545(4) 0.0500(18) Uani d 1 . .
H H4A 0.874578 -0.186079 0.080791 0.060 Uiso calc 1 . .
C C5A 0.8123(10) -0.2047(6) -0.0159(5) 0.061(2) Uani d 1 . .
H H5A 0.891119 -0.240020 -0.038270 0.074 Uiso calc 1 . .
C C6A 0.7076(10) -0.1865(6) -0.0550(5) 0.063(2) Uani d 1 . .
H H6A 0.713826 -0.209682 -0.103368 0.075 Uiso calc 1 . .
C C7A 0.5958(10) -0.1346(7) -0.0227(5) 0.068(2) Uani d 1 . .
H H7A 0.524563 -0.120991 -0.049218 0.082 Uiso calc 1 . .
C C8A 0.5855(9) -0.1021(6) 0.0475(5) 0.062(2) Uani d 1 . .
H H8A 0.506234 -0.066898 0.069388 0.075 Uiso calc 1 . .
C C9A 0.7189(10) -0.1029(6) 0.4069(5) 0.063(2) Uani d 1 . .
H H9A 0.688548 -0.072062 0.454890 0.076 Uiso calc 1 . .
H H9B 0.792020 -0.145826 0.412962 0.076 Uiso calc 1 . .
C C10A 0.5943(10) -0.1457(5) 0.3917(5) 0.060(2) Uani d 1 . .
H H10A 0.544055 -0.181895 0.437502 0.072 Uiso calc 1 . .
H H10B 0.626109 -0.182348 0.347441 0.072 Uiso calc 1 . .
C C11A 0.3771(10) -0.1130(6) 0.3467(5) 0.068(2) Uani d 1 . .
H H11A 0.420573 -0.144014 0.299114 0.082 Uiso calc 1 . .
C C12A 0.2813(10) -0.0412(8) 0.3254(7) 0.084(3) Uani d 1 . .
H H12A 0.196174 -0.067506 0.315582 0.101 Uiso calc 1 . .
H H12B 0.247585 -0.005835 0.370450 0.101 Uiso calc 1 . .
C C13A 0.3507(9) 0.0165(7) 0.2566(6) 0.073(3) Uani d 1 . .
H H13A 0.397348 -0.018234 0.212805 0.088 Uiso calc 1 . .
H H13B 0.277209 0.052945 0.241060 0.088 Uiso calc 1 . .
C C14A 0.5195(10) 0.1320(6) 0.2085(5) 0.065(2) Uani d 1 . .
H H14A 0.551017 0.100970 0.160665 0.078 Uiso calc 1 . .
H H14B 0.446823 0.174949 0.201806 0.078 Uiso calc 1 . .
C C15A 0.6434(11) 0.1746(5) 0.2251(5) 0.063(2) Uani d 1 . .
H H15A 0.694739 0.211069 0.179653 0.075 Uiso calc 1 . .
H H15B 0.610502 0.210975 0.269437 0.075 Uiso calc 1 . .
C C16A 0.8591(10) 0.1420(6) 0.2708(5) 0.066(2) Uani d 1 . .
H H16A 0.815270 0.171724 0.319035 0.080 Uiso calc 1 . .
C C17A 0.9542(9) 0.0703(7) 0.2910(6) 0.077(3) Uani d 1 . .
H H17A 0.987990 0.035929 0.245309 0.093 Uiso calc 1 . .
H H17B 1.039348 0.096507 0.300940 0.093 Uiso calc 1 . .
C C18A 0.8889(9) 0.0126(7) 0.3570(6) 0.071(3) Uani d 1 . .
H H18A 0.844549 0.046511 0.401819 0.085 Uiso calc 1 . .
H H18B 0.963817 -0.024104 0.370752 0.085 Uiso calc 1 . .
C C19A 0.2892(13) -0.1762(8) 0.4063(6) 0.093(4) Uani d 1 . .
H H19A 0.210307 -0.197073 0.387651 0.140 Uiso calc 1 . .
H H19B 0.250407 -0.148039 0.454590 0.140 Uiso calc 1 . .
H H19C 0.349609 -0.224409 0.415455 0.140 Uiso calc 1 . .
C C20A 0.9448(12) 0.2077(8) 0.2120(6) 0.095(4) Uani d 1 . .
H H20A 0.986244 0.180671 0.163398 0.142 Uiso calc 1 . .
H H20B 1.021608 0.229986 0.231493 0.142 Uiso calc 1 . .
H H20C 0.881893 0.254689 0.203115 0.142 Uiso calc 1 . .
N N5A 0.8348(11) 0.0938(6) 0.0607(5) 0.084(3) Uani d 1 . .
C C21A 0.8507(10) 0.0751(6) -0.0005(5) 0.065(2) Uani d 1 . .
C C22A 0.8738(13) 0.0504(7) -0.0794(5) 0.082(3) Uani d 1 . .
H H22A 0.936081 0.092343 -0.114642 0.098 Uiso calc 1 . .
H H22B 0.781824 0.048281 -0.092333 0.098 Uiso calc 1 . .
H H22C 0.919151 -0.006138 -0.084429 0.098 Uiso calc 1 . .
O O1A 0.2181(17) 0.1695(11) 0.3497(10) 0.101(4) Uani d 0.643(16) A 1
H H1OA 0.212874 0.212254 0.319941 0.152 Uiso calc 0.643(16) A 1
C C23A 0.180(3) 0.1931(17) 0.4250(12) 0.112(6) Uani d 0.643(16) A 1
H H23A 0.109879 0.239644 0.430125 0.168 Uiso calc 0.643(16) A 1
H H23B 0.265050 0.212429 0.438940 0.168 Uiso calc 0.643(16) A 1
H H23C 0.138126 0.143948 0.459322 0.168 Uiso calc 0.643(16) A 1
O O1C 0.242(3) 0.1838(19) 0.386(2) 0.096(6) Uani d 0.357(16) A 2
H H1OC 0.239863 0.232379 0.364083 0.144 Uiso calc 0.357(16) A 2
C C23C 0.104(4) 0.163(3) 0.434(3) 0.113(7) Uani d 0.357(16) A 2
H H23G 0.086964 0.193084 0.481681 0.170 Uiso calc 0.357(16) A 2
H H23H 0.098976 0.100852 0.446920 0.170 Uiso calc 0.357(16) A 2
H H23I 0.032010 0.179346 0.406757 0.170 Uiso calc 0.357(16) A 2
Co Co2B 0.59189(10) 0.51435(6) 0.30908(5) 0.0417(3) Uani d 1 . .
N N1B 0.3958(6) 0.4714(4) 0.3312(3) 0.0473(15) Uani d 1 . .
H H1BN 0.393494 0.435702 0.287316 0.057 Uiso calc 1 . .
N N2B 0.6267(7) 0.4190(4) 0.3809(3) 0.0475(14) Uani d 1 . .
H H2BN 0.617373 0.444572 0.431508 0.057 Uiso calc 1 . .
N N3B 0.7887(7) 0.5564(4) 0.2859(4) 0.0551(16) Uani d 1 . .
H H3BN 0.792992 0.591556 0.329769 0.066 Uiso calc 1 . .
N N4B 0.5553(7) 0.6099(4) 0.2376(3) 0.0480(15) Uani d 1 . .
H H4BN 0.562605 0.583899 0.187359 0.058 Uiso calc 1 . .
Cl Cl1B 0.5340(2) 0.59978(12) 0.41394(10) 0.0532(5) Uani d 1 . .
Cl Cl2B 1.0093(2) 0.81517(16) 0.25885(14) 0.0677(6) Uani d 1 . .
C C1B 0.6461(7) 0.4456(4) 0.2224(4) 0.0383(14) Uani d 1 . .
C C2B 0.6812(8) 0.4126(5) 0.1638(4) 0.0452(16) Uani d 1 . .
C C3B 0.7320(8) 0.3759(4) 0.0903(4) 0.0453(16) Uani d 1 . .
C C4B 0.6445(9) 0.3266(5) 0.0600(4) 0.0540(19) Uani d 1 . .
H H4B 0.547887 0.316858 0.088000 0.065 Uiso calc 1 . .
C C5B 0.6974(11) 0.2913(6) -0.0111(5) 0.066(2) Uani d 1 . .
H H5B 0.637176 0.256167 -0.030271 0.079 Uiso calc 1 . .
C C6B 0.8343(10) 0.3064(6) -0.0535(5) 0.064(2) Uani d 1 . .
H H6B 0.867752 0.284395 -0.103101 0.077 Uiso calc 1 . .
C C7B 0.9244(10) 0.3541(7) -0.0238(5) 0.068(2) Uani d 1 . .
H H7B 1.020872 0.363277 -0.052210 0.081 Uiso calc 1 . .
C C8B 0.8729(9) 0.3884(6) 0.0479(5) 0.057(2) Uani d 1 . .
H H8B 0.935195 0.420783 0.068086 0.069 Uiso calc 1 . .
C C9B 0.3724(9) 0.4117(5) 0.4000(4) 0.054(2) Uani d 1 . .
H H9C 0.289548 0.374362 0.402959 0.065 Uiso calc 1 . .
H H9D 0.352400 0.443928 0.447242 0.065 Uiso calc 1 . .
C C10B 0.5058(9) 0.3582(5) 0.3935(4) 0.053(2) Uani d 1 . .
H H10C 0.498040 0.321866 0.441468 0.063 Uiso calc 1 . .
H H10D 0.520186 0.320845 0.349743 0.063 Uiso calc 1 . .
C C11B 0.7685(10) 0.3717(6) 0.3631(5) 0.059(2) Uani d 1 . .
H H11B 0.777874 0.340922 0.314997 0.071 Uiso calc 1 . .
C C12B 0.8899(10) 0.4348(7) 0.3487(6) 0.071(2) Uani d 1 . .
H H12C 0.874830 0.470030 0.394028 0.085 Uiso calc 1 . .
H H12D 0.980056 0.402558 0.344698 0.085 Uiso calc 1 . .
C C13B 0.9071(9) 0.4926(6) 0.2788(6) 0.069(2) Uani d 1 . .
H H13C 0.910668 0.458133 0.234084 0.083 Uiso calc 1 . .
H H13D 0.999091 0.523341 0.268845 0.083 Uiso calc 1 . .
C C14B 0.8114(9) 0.6163(6) 0.2177(5) 0.060(2) Uani d 1 . .
H H14C 0.832464 0.584310 0.170222 0.072 Uiso calc 1 . .
H H14D 0.893730 0.653966 0.215046 0.072 Uiso calc 1 . .
C C15B 0.6792(10) 0.6690(5) 0.2234(5) 0.058(2) Uani d 1 . .
H H15C 0.665991 0.707561 0.266245 0.069 Uiso calc 1 . .
H H15D 0.687243 0.704296 0.174867 0.069 Uiso calc 1 . .
C C16B 0.4142(9) 0.6575(6) 0.2560(5) 0.058(2) Uani d 1 . .
H H16B 0.403605 0.685615 0.305583 0.070 Uiso calc 1 . .
C C17B 0.2959(10) 0.5940(6) 0.2674(6) 0.066(2) Uani d 1 . .
H H17C 0.205170 0.625546 0.271000 0.080 Uiso calc 1 . .
H H17D 0.313897 0.560080 0.221097 0.080 Uiso calc 1 . .
C C18B 0.2771(8) 0.5339(6) 0.3366(5) 0.064(2) Uani d 1 . .
H H18C 0.269110 0.567323 0.382512 0.077 Uiso calc 1 . .
H H18D 0.186457 0.502234 0.344353 0.077 Uiso calc 1 . .
C C19B 0.7802(12) 0.3064(6) 0.4274(6) 0.071(2) Uani d 1 . .
H H19D 0.772775 0.335568 0.474926 0.107 Uiso calc 1 . .
H H19E 0.872543 0.276960 0.412692 0.107 Uiso calc 1 . .
H H19F 0.702753 0.264613 0.435934 0.107 Uiso calc 1 . .
C C20B 0.4069(12) 0.7268(6) 0.1935(5) 0.075(3) Uani d 1 . .
H H20D 0.428670 0.701604 0.143168 0.113 Uiso calc 1 . .
H H20E 0.476638 0.771659 0.192445 0.113 Uiso calc 1 . .
H H20F 0.310578 0.751593 0.204690 0.113 Uiso calc 1 . .
N N5B 0.6455(13) 0.5963(6) 0.0575(5) 0.094(3) Uani d 1 . .
C C21B 0.6682(12) 0.5719(6) -0.0016(5) 0.067(2) Uani d 1 . .
C C22B 0.6983(15) 0.5401(8) -0.0779(6) 0.091(4) Uani d 1 . .
H H22D 0.749261 0.485480 -0.078549 0.109 Uiso calc 1 . .
H H22E 0.757615 0.581550 -0.115273 0.109 Uiso calc 1 . .
H H22F 0.608273 0.531768 -0.091733 0.109 Uiso calc 1 . .
O O1B 0.9508(15) 0.6559(9) 0.3612(7) 0.080(3) Uani d 0.643(16) A 1
H H1OB 0.941678 0.702341 0.337067 0.120 Uiso calc 0.643(16) A 1
C C23B 0.927(3) 0.669(2) 0.4407(11) 0.097(5) Uani d 0.643(16) A 1
H H23D 0.824619 0.680101 0.463023 0.145 Uiso calc 0.643(16) A 1
H H23E 0.981943 0.719040 0.446957 0.145 Uiso calc 0.643(16) A 1
H H23F 0.956472 0.618697 0.467229 0.145 Uiso calc 0.643(16) A 1
O O1D 0.874(3) 0.6780(17) 0.3906(16) 0.093(6) Uani d 0.357(16) A 2
H H1OD 0.897893 0.717883 0.356287 0.139 Uiso calc 0.357(16) A 2
C C23D 0.974(4) 0.674(4) 0.437(3) 0.100(7) Uani d 0.357(16) A 2
H H23J 0.951267 0.718179 0.474309 0.151 Uiso calc 0.357(16) A 2
H H23K 1.070979 0.682050 0.404077 0.151 Uiso calc 0.357(16) A 2
H H23L 0.967165 0.617307 0.464908 0.151 Uiso calc 0.357(16) A 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Co1A 0.0442(5) 0.0450(5) 0.0356(5) 0.0034(4) -0.0075(4) -0.0158(4)
N1A 0.050(4) 0.069(4) 0.044(4) 0.015(3) -0.009(3) -0.023(3)
N2A 0.051(4) 0.049(3) 0.044(3) 0.000(3) 0.000(3) -0.016(3)
N3A 0.052(4) 0.069(4) 0.054(4) 0.011(3) -0.011(3) -0.017(3)
N4A 0.048(3) 0.057(4) 0.043(3) 0.000(3) -0.003(3) -0.016(3)
Cl1A 0.0613(11) 0.0484(9) 0.0394(9) 0.0005(8) -0.0021(8) -0.0189(7)
Cl2A 0.0762(15) 0.0857(16) 0.0679(14) -0.0093(12) -0.0285(11) -0.0280(12)
C1A 0.038(3) 0.049(4) 0.036(3) -0.005(3) -0.014(3) -0.006(3)
C2A 0.052(4) 0.043(4) 0.051(4) 0.002(3) -0.013(3) -0.012(3)
C3A 0.055(4) 0.043(4) 0.041(4) -0.002(3) -0.009(3) -0.015(3)
C4A 0.044(4) 0.062(5) 0.046(4) 0.001(3) -0.011(3) -0.017(4)
C5A 0.064(5) 0.070(5) 0.046(4) 0.006(4) -0.003(4) -0.024(4)
C6A 0.070(5) 0.072(6) 0.047(5) -0.003(4) -0.011(4) -0.029(4)
C7A 0.065(5) 0.095(7) 0.053(5) 0.005(5) -0.024(4) -0.032(5)
C8A 0.056(5) 0.080(6) 0.058(5) 0.020(4) -0.021(4) -0.034(4)
C9A 0.073(6) 0.078(6) 0.039(4) 0.030(5) -0.015(4) -0.015(4)
C10A 0.089(6) 0.043(4) 0.041(4) 0.008(4) -0.004(4) -0.010(3)
C11A 0.057(5) 0.079(6) 0.064(5) -0.010(4) -0.001(4) -0.031(5)
C12A 0.045(5) 0.116(9) 0.093(8) -0.006(5) -0.015(5) -0.043(7)
C13A 0.039(4) 0.109(8) 0.078(6) 0.006(4) -0.022(4) -0.029(6)
C14A 0.067(5) 0.072(6) 0.059(5) 0.017(4) -0.023(4) -0.003(4)
C15A 0.087(6) 0.037(4) 0.060(5) -0.002(4) -0.012(4) -0.002(3)
C16A 0.061(5) 0.085(6) 0.049(5) -0.018(4) 0.000(4) -0.024(4)
C17A 0.039(4) 0.111(8) 0.084(7) -0.003(5) -0.010(4) -0.042(6)
C18A 0.044(4) 0.109(8) 0.067(6) 0.007(5) -0.022(4) -0.035(5)
C19A 0.092(8) 0.106(8) 0.071(7) -0.036(7) 0.007(6) -0.030(6)
C20A 0.088(7) 0.112(8) 0.069(6) -0.041(6) 0.019(5) -0.044(6)
N5A 0.095(6) 0.085(6) 0.057(5) -0.016(5) 0.009(4) -0.019(4)
C21A 0.070(6) 0.067(5) 0.050(5) -0.004(4) 0.000(4) -0.007(4)
C22A 0.107(8) 0.090(7) 0.051(5) 0.007(6) -0.021(5) -0.017(5)
O1A 0.084(8) 0.110(9) 0.103(11) 0.016(7) -0.010(8) -0.020(9)
C23A 0.100(13) 0.119(12) 0.109(13) 0.001(10) -0.012(11) -0.009(11)
O1C 0.090(12) 0.105(11) 0.087(15) 0.011(10) -0.006(11) -0.045(11)
C23C 0.102(14) 0.122(13) 0.112(14) 0.011(12) -0.017(13) -0.029(13)
Co2B 0.0503(5) 0.0451(5) 0.0300(5) -0.0036(4) -0.0080(4) -0.0149(4)
N1B 0.044(3) 0.064(4) 0.033(3) -0.007(3) -0.004(2) -0.024(3)
N2B 0.057(4) 0.052(3) 0.036(3) -0.009(3) -0.014(3) -0.014(3)
N3B 0.057(4) 0.061(4) 0.047(4) -0.013(3) -0.009(3) -0.009(3)
N4B 0.055(4) 0.057(4) 0.033(3) -0.004(3) -0.011(3) -0.017(3)
Cl1B 0.0808(13) 0.0478(10) 0.0325(8) -0.0022(9) -0.0137(8) -0.0183(7)
Cl2B 0.0600(12) 0.0761(14) 0.0628(13) 0.0108(10) -0.0052(10) -0.0210(11)
C1B 0.031(3) 0.046(4) 0.035(3) -0.001(3) -0.004(3) -0.002(3)
C2B 0.048(4) 0.052(4) 0.034(4) -0.003(3) -0.008(3) -0.010(3)
C3B 0.052(4) 0.043(4) 0.039(4) 0.006(3) -0.006(3) -0.016(3)
C4B 0.052(4) 0.070(5) 0.043(4) 0.006(4) -0.014(3) -0.019(4)
C5B 0.085(6) 0.071(6) 0.050(5) 0.006(5) -0.029(4) -0.026(4)
C6B 0.080(6) 0.074(6) 0.038(4) 0.019(5) -0.013(4) -0.025(4)
C7B 0.061(5) 0.096(7) 0.040(4) 0.012(5) 0.001(4) -0.022(4)
C8B 0.055(5) 0.073(5) 0.042(4) 0.000(4) -0.008(3) -0.015(4)
C9B 0.060(5) 0.067(5) 0.033(4) -0.010(4) -0.004(3) -0.020(4)
C10B 0.082(6) 0.040(4) 0.035(4) -0.017(4) -0.009(4) -0.009(3)
C11B 0.069(5) 0.065(5) 0.047(5) 0.006(4) -0.020(4) -0.012(4)
C12B 0.057(5) 0.080(6) 0.079(6) -0.002(4) -0.020(4) -0.018(5)
C13B 0.038(4) 0.084(6) 0.086(7) -0.006(4) -0.013(4) -0.012(5)
C14B 0.060(5) 0.065(5) 0.056(5) -0.019(4) -0.012(4) -0.009(4)
C15B 0.081(6) 0.044(4) 0.048(4) -0.019(4) -0.015(4) -0.001(3)
C16B 0.062(5) 0.065(5) 0.050(5) 0.005(4) -0.015(4) -0.019(4)
C17B 0.055(5) 0.080(6) 0.071(6) 0.012(4) -0.025(4) -0.021(5)
C18B 0.037(4) 0.081(6) 0.073(6) -0.003(4) -0.009(4) -0.027(5)
C19B 0.088(7) 0.069(6) 0.065(6) 0.001(5) -0.032(5) -0.017(5)
C20B 0.099(8) 0.075(6) 0.058(6) 0.013(5) -0.030(5) -0.019(5)
N5B 0.161(10) 0.074(5) 0.052(5) 0.019(6) -0.035(5) -0.018(4)
C21B 0.093(7) 0.060(5) 0.053(5) 0.008(5) -0.025(5) -0.013(4)
C22B 0.120(9) 0.101(8) 0.050(6) 0.032(7) -0.017(6) -0.030(6)
O1B 0.075(8) 0.102(8) 0.066(7) -0.025(6) -0.020(6) -0.011(6)
C23B 0.086(12) 0.112(10) 0.088(9) -0.036(11) -0.013(9) -0.012(9)
O1D 0.096(13) 0.111(11) 0.075(11) -0.025(11) -0.025(9) -0.018(10)
C23D 0.094(15) 0.115(12) 0.082(11) -0.022(14) -0.005(11) -0.006(11)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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_publ_flag
C1A Co1A N3A 89.8(3) y
C1A Co1A N1A 89.6(3) y
N3A Co1A N1A 179.1(3) y
C1A Co1A N2A 91.7(3) y
N3A Co1A N2A 94.4(3) y
N1A Co1A N2A 86.2(3) y
C1A Co1A N4A 88.2(3) y
N3A Co1A N4A 85.6(3) y
N1A Co1A N4A 93.9(3) y
N2A Co1A N4A 179.8(3) y
C1A Co1A Cl1A 177.7(2) y
N3A Co1A Cl1A 88.0(2) y
N1A Co1A Cl1A 92.66(18) y
N2A Co1A Cl1A 88.08(18) y
N4A Co1A Cl1A 92.09(18) y
C18A N1A C9A 110.3(7) ?
C18A N1A Co1A 118.2(6) ?
C9A N1A Co1A 108.0(5) ?
C18A N1A H1NA 106.5 ?
C9A N1A H1NA 106.5 ?
Co1A N1A H1NA 106.5 ?
C11A N2A C10A 111.0(7) ?
C11A N2A Co1A 119.2(6) ?
C10A N2A Co1A 107.4(5) ?
C11A N2A H2NA 106.1 ?
C10A N2A H2NA 106.1 ?
Co1A N2A H2NA 106.1 ?
C13A N3A C14A 109.1(7) ?
C13A N3A Co1A 118.1(6) ?
C14A N3A Co1A 108.5(5) ?
C13A N3A H3N 106.9 ?
C14A N3A H3N 106.9 ?
Co1A N3A H3N 106.9 ?
C15A N4A C16A 111.1(7) ?
C15A N4A Co1A 108.0(5) ?
C16A N4A Co1A 118.6(5) ?
C15A N4A H4N 106.1 ?
C16A N4A H4N 106.1 ?
Co1A N4A H4N 106.1 ?
C2A C1A Co1A 171.3(7) y
C1A C2A C3A 175.3(8) ?
C8A C3A C4A 118.1(7) ?
C8A C3A C2A 119.8(7) ?
C4A C3A C2A 122.0(7) ?
C5A C4A C3A 120.1(8) ?
C5A C4A H4A 119.9 ?
C3A C4A H4A 119.9 ?
C4A C5A C6A 120.9(8) ?
C4A C5A H5A 119.5 ?
C6A C5A H5A 119.5 ?
C7A C6A C5A 118.9(7) ?
C7A C6A H6A 120.5 ?
C5A C6A H6A 120.5 ?
C6A C7A C8A 120.6(8) ?
C6A C7A H7A 119.7 ?
C8A C7A H7A 119.7 ?
C7A C8A C3A 121.3(8) ?
C7A C8A H8A 119.4 ?
C3A C8A H8A 119.4 ?
N1A C9A C10A 107.7(7) ?
N1A C9A H9A 110.2 ?
C10A C9A H9A 110.2 ?
N1A C9A H9B 110.2 ?
C10A C9A H9B 110.2 ?
H9A C9A H9B 108.5 ?
C9A C10A N2A 107.1(6) ?
C9A C10A H10A 110.3 ?
N2A C10A H10A 110.3 ?
C9A C10A H10B 110.3 ?
N2A C10A H10B 110.3 ?
H10A C10A H10B 108.5 ?
N2A C11A C19A 111.7(8) ?
N2A C11A C12A 110.4(7) ?
C19A C11A C12A 110.4(9) ?
N2A C11A H11A 108.1 ?
C19A C11A H11A 108.1 ?
C12A C11A H11A 108.1 ?
C13A C12A C11A 115.4(8) ?
C13A C12A H12A 108.4 ?
C11A C12A H12A 108.4 ?
C13A C12A H12B 108.4 ?
C11A C12A H12B 108.4 ?
H12A C12A H12B 107.5 ?
N3A C13A C12A 109.9(8) ?
N3A C13A H13A 109.7 ?
C12A C13A H13A 109.7 ?
N3A C13A H13B 109.7 ?
C12A C13A H13B 109.7 ?
H13A C13A H13B 108.2 ?
C15A C14A N3A 106.9(7) ?
C15A C14A H14A 110.3 ?
N3A C14A H14A 110.3 ?
C15A C14A H14B 110.3 ?
N3A C14A H14B 110.3 ?
H14A C14A H14B 108.6 ?
N4A C15A C14A 106.9(6) ?
N4A C15A H15A 110.3 ?
C14A C15A H15A 110.3 ?
N4A C15A H15B 110.3 ?
C14A C15A H15B 110.3 ?
H15A C15A H15B 108.6 ?
N4A C16A C20A 111.4(8) ?
N4A C16A C17A 110.4(7) ?
C20A C16A C17A 111.6(9) ?
N4A C16A H16A 107.7 ?
C20A C16A H16A 107.7 ?
C17A C16A H16A 107.7 ?
C18A C17A C16A 116.3(8) ?
C18A C17A H17A 108.2 ?
C16A C17A H17A 108.2 ?
C18A C17A H17B 108.2 ?
C16A C17A H17B 108.2 ?
H17A C17A H17B 107.4 ?
C17A C18A N1A 111.4(7) ?
C17A C18A H18A 109.4 ?
N1A C18A H18A 109.4 ?
C17A C18A H18B 109.4 ?
N1A C18A H18B 109.4 ?
H18A C18A H18B 108.0 ?
C11A C19A H19A 109.5 ?
C11A C19A H19B 109.5 ?
H19A C19A H19B 109.5 ?
C11A C19A H19C 109.5 ?
H19A C19A H19C 109.5 ?
H19B C19A H19C 109.5 ?
C16A C20A H20A 109.5 ?
C16A C20A H20B 109.5 ?
H20A C20A H20B 109.5 ?
C16A C20A H20C 109.5 ?
H20A C20A H20C 109.5 ?
H20B C20A H20C 109.5 ?
N5A C21A C22A 179.0(13) ?
C21A C22A H22A 109.5 ?
C21A C22A H22B 109.5 ?
H22A C22A H22B 109.5 ?
C21A C22A H22C 109.5 ?
H22A C22A H22C 109.5 ?
H22B C22A H22C 109.5 ?
C23A O1A H1OA 109.5 ?
O1A C23A H23A 109.5 ?
O1A C23A H23B 109.5 ?
H23A C23A H23B 109.5 ?
O1A C23A H23C 109.5 ?
H23A C23A H23C 109.5 ?
H23B C23A H23C 109.5 ?
C23C O1C H1OC 109.5 ?
O1C C23C H23G 109.5 ?
O1C C23C H23H 109.5 ?
H23G C23C H23H 109.5 ?
O1C C23C H23I 109.5 ?
H23G C23C H23I 109.5 ?
H23H C23C H23I 109.5 ?
C1B Co2B N1B 89.9(2) y
C1B Co2B N3B 89.3(3) y
N1B Co2B N3B 179.3(3) y
C1B Co2B N2B 92.2(3) y
N1B Co2B N2B 86.7(3) y
N3B Co2B N2B 93.4(3) y
C1B Co2B N4B 88.0(3) y
N1B Co2B N4B 92.9(3) y
N3B Co2B N4B 87.1(3) y
N2B Co2B N4B 179.5(3) y
C1B Co2B Cl1B 178.0(2) y
N1B Co2B Cl1B 92.08(17) y
N3B Co2B Cl1B 88.6(2) y
N2B Co2B Cl1B 87.81(18) y
N4B Co2B Cl1B 92.00(17) y
C9B N1B C18B 112.2(6) ?
C9B N1B Co2B 107.6(5) ?
C18B N1B Co2B 118.8(5) ?
C9B N1B H1BN 105.8 ?
C18B N1B H1BN 105.8 ?
Co2B N1B H1BN 105.8 ?
C10B N2B C11B 110.8(6) ?
C10B N2B Co2B 107.1(5) ?
C11B N2B Co2B 120.2(5) ?
C10B N2B H2BN 105.9 ?
C11B N2B H2BN 105.9 ?
Co2B N2B H2BN 105.9 ?
C14B N3B C13B 112.0(7) ?
C14B N3B Co2B 107.7(5) ?
C13B N3B Co2B 118.4(5) ?
C14B N3B H3BN 106.0 ?
C13B N3B H3BN 106.0 ?
Co2B N3B H3BN 106.0 ?
C15B N4B C16B 111.9(6) ?
C15B N4B Co2B 106.4(5) ?
C16B N4B Co2B 120.5(5) ?
C15B N4B H4BN 105.7 ?
C16B N4B H4BN 105.7 ?
Co2B N4B H4BN 105.7 ?
C2B C1B Co2B 171.8(6) y
C1B C2B C3B 176.3(8) ?
C4B C3B C8B 118.1(7) ?
C4B C3B C2B 121.9(7) ?
C8B C3B C2B 120.0(7) ?
C3B C4B C5B 120.5(8) ?
C3B C4B H4B 119.7 ?
C5B C4B H4B 119.7 ?
C6B C5B C4B 120.9(8) ?
C6B C5B H5B 119.5 ?
C4B C5B H5B 119.5 ?
C5B C6B C7B 119.5(7) ?
C5B C6B H6B 120.2 ?
C7B C6B H6B 120.2 ?
C6B C7B C8B 119.8(8) ?
C6B C7B H7B 120.1 ?
C8B C7B H7B 120.1 ?
C3B C8B C7B 121.1(8) ?
C3B C8B H8B 119.5 ?
C7B C8B H8B 119.5 ?
N1B C9B C10B 108.2(6) ?
N1B C9B H9C 110.0 ?
C10B C9B H9C 110.0 ?
N1B C9B H9D 110.0 ?
C10B C9B H9D 110.0 ?
H9C C9B H9D 108.4 ?
N2B C10B C9B 106.6(6) ?
N2B C10B H10C 110.4 ?
C9B C10B H10C 110.4 ?
N2B C10B H10D 110.4 ?
C9B C10B H10D 110.4 ?
H10C C10B H10D 108.6 ?
C12B C11B N2B 109.8(7) ?
C12B C11B C19B 109.4(8) ?
N2B C11B C19B 112.7(7) ?
C12B C11B H11B 108.3 ?
N2B C11B H11B 108.3 ?
C19B C11B H11B 108.3 ?
C13B C12B C11B 115.2(8) ?
C13B C12B H12C 108.5 ?
C11B C12B H12C 108.5 ?
C13B C12B H12D 108.5 ?
C11B C12B H12D 108.5 ?
H12C C12B H12D 107.5 ?
C12B C13B N3B 112.7(8) ?
C12B C13B H13C 109.1 ?
N3B C13B H13C 109.1 ?
C12B C13B H13D 109.1 ?
N3B C13B H13D 109.1 ?
H13C C13B H13D 107.8 ?
N3B C14B C15B 108.8(7) ?
N3B C14B H14C 109.9 ?
C15B C14B H14C 109.9 ?
N3B C14B H14D 109.9 ?
C15B C14B H14D 109.9 ?
H14C C14B H14D 108.3 ?
N4B C15B C14B 108.2(6) ?
N4B C15B H15C 110.1 ?
C14B C15B H15C 110.1 ?
N4B C15B H15D 110.1 ?
C14B C15B H15D 110.1 ?
H15C C15B H15D 108.4 ?
C17B C16B N4B 108.5(7) ?
C17B C16B C20B 111.4(8) ?
N4B C16B C20B 112.2(7) ?
C17B C16B H16B 108.2 ?
N4B C16B H16B 108.2 ?
C20B C16B H16B 108.2 ?
C18B C17B C16B 115.3(7) ?
C18B C17B H17C 108.5 ?
C16B C17B H17C 108.5 ?
C18B C17B H17D 108.5 ?
C16B C17B H17D 108.5 ?
H17C C17B H17D 107.5 ?
N1B C18B C17B 113.5(7) ?
N1B C18B H18C 108.9 ?
C17B C18B H18C 108.9 ?
N1B C18B H18D 108.9 ?
C17B C18B H18D 108.9 ?
H18C C18B H18D 107.7 ?
C11B C19B H19D 109.5 ?
C11B C19B H19E 109.5 ?
H19D C19B H19E 109.5 ?
C11B C19B H19F 109.5 ?
H19D C19B H19F 109.5 ?
H19E C19B H19F 109.5 ?
C16B C20B H20D 109.5 ?
C16B C20B H20E 109.5 ?
H20D C20B H20E 109.5 ?
C16B C20B H20F 109.5 ?
H20D C20B H20F 109.5 ?
H20E C20B H20F 109.5 ?
N5B C21B C22B 179.7(14) ?
C21B C22B H22D 109.5 ?
C21B C22B H22E 109.5 ?
H22D C22B H22E 109.5 ?
C21B C22B H22F 109.5 ?
H22D C22B H22F 109.5 ?
H22E C22B H22F 109.5 ?
C23B O1B H1OB 109.5 ?
O1B C23B H23D 109.5 ?
O1B C23B H23E 109.5 ?
H23D C23B H23E 109.5 ?
O1B C23B H23F 109.5 ?
H23D C23B H23F 109.5 ?
H23E C23B H23F 109.5 ?
C23D O1D H1OD 109.5 ?
O1D C23D H23J 109.5 ?
O1D C23D H23K 109.5 ?
H23J C23D H23K 109.5 ?
O1D C23D H23L 109.5 ?
H23J C23D H23L 109.5 ?
H23K C23D H23L 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Co1A C1A 1.893(7) y
Co1A N3A 1.968(7) y
Co1A N1A 1.973(7) y
Co1A N2A 1.979(6) y
Co1A N4A 1.982(7) y
Co1A Cl1A 2.3270(18) y
N1A C18A 1.482(11) ?
N1A C9A 1.484(11) ?
N1A H1NA 1.0000 ?
N2A C11A 1.502(11) ?
N2A C10A 1.506(11) ?
N2A H2NA 1.0000 ?
N3A C13A 1.485(11) ?
N3A C14A 1.489(12) ?
N3A H3N 1.0000 ?
N4A C15A 1.487(11) ?
N4A C16A 1.512(11) ?
N4A H4N 1.0000 ?
C1A C2A 1.189(10) y
C2A C3A 1.444(10) y
C3A C8A 1.392(11) ?
C3A C4A 1.395(10) ?
C4A C5A 1.374(11) ?
C4A H4A 0.9500 ?
C5A C6A 1.394(13) ?
C5A H5A 0.9500 ?
C6A C7A 1.368(12) ?
C6A H6A 0.9500 ?
C7A C8A 1.371(11) ?
C7A H7A 0.9500 ?
C8A H8A 0.9500 ?
C9A C10A 1.486(13) ?
C9A H9A 0.9900 ?
C9A H9B 0.9900 ?
C10A H10A 0.9900 ?
C10A H10B 0.9900 ?
C11A C19A 1.509(14) ?
C11A C12A 1.539(15) ?
C11A H11A 1.0000 ?
C12A C13A 1.499(15) ?
C12A H12A 0.9900 ?
C12A H12B 0.9900 ?
C13A H13A 0.9900 ?
C13A H13B 0.9900 ?
C14A C15A 1.489(13) ?
C14A H14A 0.9900 ?
C14A H14B 0.9900 ?
C15A H15A 0.9900 ?
C15A H15B 0.9900 ?
C16A C20A 1.517(13) ?
C16A C17A 1.526(15) ?
C16A H16A 1.0000 ?
C17A C18A 1.456(14) ?
C17A H17A 0.9900 ?
C17A H17B 0.9900 ?
C18A H18A 0.9900 ?
C18A H18B 0.9900 ?
C19A H19A 0.9800 ?
C19A H19B 0.9800 ?
C19A H19C 0.9800 ?
C20A H20A 0.9800 ?
C20A H20B 0.9800 ?
C20A H20C 0.9800 ?
N5A C21A 1.128(12) ?
C21A C22A 1.454(12) ?
C22A H22A 0.9800 ?
C22A H22B 0.9800 ?
C22A H22C 0.9800 ?
O1A C23A 1.378(17) ?
O1A H1OA 0.8400 ?
C23A H23A 0.9800 ?
C23A H23B 0.9800 ?
C23A H23C 0.9800 ?
O1C C23C 1.421(19) ?
O1C H1OC 0.8400 ?
C23C H23G 0.9800 ?
C23C H23H 0.9800 ?
C23C H23I 0.9800 ?
Co2B C1B 1.905(7) y
Co2B N1B 1.960(6) y
Co2B N3B 1.960(7) y
Co2B N2B 1.996(7) y
Co2B N4B 1.999(7) y
Co2B Cl1B 2.3233(18) y
N1B C9B 1.475(10) ?
N1B C18B 1.484(11) ?
N1B H1BN 1.0000 ?
N2B C10B 1.485(9) ?
N2B C11B 1.517(11) ?
N2B H2BN 1.0000 ?
N3B C14B 1.469(11) ?
N3B C13B 1.493(11) ?
N3B H3BN 1.0000 ?
N4B C15B 1.487(10) ?
N4B C16B 1.514(10) ?
N4B H4BN 1.0000 ?
C1B C2B 1.168(9) y
C2B C3B 1.437(9) y
C3B C4B 1.390(11) ?
C3B C8B 1.390(11) ?
C4B C5B 1.392(11) ?
C4B H4B 0.9500 ?
C5B C6B 1.363(13) ?
C5B H5B 0.9500 ?
C6B C7B 1.387(13) ?
C6B H6B 0.9500 ?
C7B C8B 1.393(11) ?
C7B H7B 0.9500 ?
C8B H8B 0.9500 ?
C9B C10B 1.510(12) ?
C9B H9C 0.9900 ?
C9B H9D 0.9900 ?
C10B H10C 0.9900 ?
C10B H10D 0.9900 ?
C11B C12B 1.509(13) ?
C11B C19B 1.521(12) ?
C11B H11B 1.0000 ?
C12B C13B 1.477(14) ?
C12B H12C 0.9900 ?
C12B H12D 0.9900 ?
C13B H13C 0.9900 ?
C13B H13D 0.9900 ?
C14B C15B 1.495(13) ?
C14B H14C 0.9900 ?
C14B H14D 0.9900 ?
C15B H15C 0.9900 ?
C15B H15D 0.9900 ?
C16B C17B 1.497(12) ?
C16B C20B 1.528(13) ?
C16B H16B 1.0000 ?
C17B C18B 1.488(13) ?
C17B H17C 0.9900 ?
C17B H17D 0.9900 ?
C18B H18C 0.9900 ?
C18B H18D 0.9900 ?
C19B H19D 0.9800 ?
C19B H19E 0.9800 ?
C19B H19F 0.9800 ?
C20B H20D 0.9800 ?
C20B H20E 0.9800 ?
C20B H20F 0.9800 ?
N5B C21B 1.118(11) ?
C21B C22B 1.444(12) ?
C22B H22D 0.9800 ?
C22B H22E 0.9800 ?
C22B H22F 0.9800 ?
O1B C23B 1.416(17) ?
O1B H1OB 0.8400 ?
C23B H23D 0.9800 ?
C23B H23E 0.9800 ?
C23B H23F 0.9800 ?
O1D C23D 1.430(19) ?
O1D H1OD 0.8400 ?
C23D H23J 0.9800 ?
C23D H23K 0.9800 ?
C23D H23L 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1A H1NA Cl2B 1_545 1.00 2.40 3.265(6) 144.0 yes
N2A H2NA Cl1A 2_656 1.00 2.91 3.684(7) 134.4 yes
N3A H3N O1A . 1.00 2.02 2.844(16) 137.6 yes
N3A H3N O1C . 1.00 2.14 3.10(3) 159.5 yes
N4A H4N N5A . 1.00 2.30 3.185(10) 146.8 yes
N1B H1BN Cl2A . 1.00 2.40 3.251(6) 142.6 yes
N2B H2BN Cl1B 2_666 1.00 2.83 3.607(6) 134.7 yes
N3B H3BN O1B . 1.00 2.06 2.863(13) 135.5 yes
N3B H3BN O1D . 1.00 2.08 3.03(3) 158.0 yes
N4B H4BN N5B . 1.00 2.26 3.148(10) 147.2 yes
O1A H1OA Cl2A . 0.84 2.09 2.899(18) 162.8 yes
O1B H1OB Cl2B . 0.84 2.19 2.979(13) 157.2 yes
O1C H1OC Cl2A . 0.84 2.40 3.16(4) 152.1 yes
O1D H1OD Cl2B . 0.84 2.30 3.13(3) 168.1 yes
C9A H9A Cl1A 2_656 0.99 2.92 3.631(9) 129.5 yes
C10A H10A Cl1A 2_656 0.99 2.96 3.531(8) 117.7 yes
C14A H14B Cl2A . 0.99 2.98 3.884(10) 152.4 yes
C16A H16A Cl1A . 1.00 2.81 3.373(9) 116.0 yes
C17A H17B O1A 1_655 0.99 2.46 3.44(2) 168.7 yes
C18A H18A Cl1A . 0.99 2.78 3.339(9) 116.1 yes
C20A H20B Cl2A 1_655 0.98 2.88 3.834(11) 164.4 yes
C22A H22A Cl2B 2_765 0.98 2.82 3.669(11) 145.5 yes
C9B H9C Cl2A . 0.99 2.97 3.498(8) 114.3 yes
C10B H10C Cl1B 2_666 0.99 2.89 3.485(7) 119.8 yes
C16B H16B Cl1B . 1.00 2.85 3.407(9) 116.1 yes
C17B H17C O1B 1_455 0.99 2.63 3.479(18) 144.4 yes
C18B H18C Cl1B . 0.99 2.83 3.358(9) 114.1 yes
C22B H22E Cl2A 2_665 0.98 2.81 3.583(12) 136.8 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C8A C3A C4A C5A 0.8(12)
C2A C3A C4A C5A -179.7(8)
C3A C4A C5A C6A -0.8(13)
C4A C5A C6A C7A 0.9(14)
C5A C6A C7A C8A -1.0(15)
C6A C7A C8A C3A 0.9(16)
C4A C3A C8A C7A -0.8(14)
C2A C3A C8A C7A 179.7(9)
C18A N1A C9A C10A 171.1(7)
Co1A N1A C9A C10A 40.5(7)
N1A C9A C10A N2A -53.2(8)
C11A N2A C10A C9A 172.0(6)
Co1A N2A C10A C9A 40.1(7)
C10A N2A C11A C19A 59.0(9)
Co1A N2A C11A C19A -175.4(7)
C10A N2A C11A C12A -177.7(7)
Co1A N2A C11A C12A -52.2(8)
N2A C11A C12A C13A 66.8(10)
C19A C11A C12A C13A -169.2(8)
C14A N3A C13A C12A -176.3(8)
Co1A N3A C13A C12A 59.3(9)
C11A C12A C13A N3A -70.5(10)
C13A N3A C14A C15A -170.5(7)
Co1A N3A C14A C15A -40.6(8)
C16A N4A C15A C14A -172.8(7)
Co1A N4A C15A C14A -41.1(8)
N3A C14A C15A N4A 53.6(9)
C15A N4A C16A C20A -56.7(9)
Co1A N4A C16A C20A 177.4(6)
C15A N4A C16A C17A 178.7(7)
Co1A N4A C16A C17A 52.7(8)
N4A C16A C17A C18A -66.7(10)
C20A C16A C17A C18A 168.8(8)
C16A C17A C18A N1A 69.5(10)
C9A N1A C18A C17A 177.3(7)
Co1A N1A C18A C17A -57.7(9)
C8B C3B C4B C5B -0.3(13)
C2B C3B C4B C5B -179.4(8)
C3B C4B C5B C6B -2.0(14)
C4B C5B C6B C7B 3.2(15)
C5B C6B C7B C8B -2.1(15)
C4B C3B C8B C7B 1.4(13)
C2B C3B C8B C7B -179.5(8)
C6B C7B C8B C3B -0.2(15)
C18B N1B C9B C10B -173.1(6)
Co2B N1B C9B C10B -40.7(6)
C11B N2B C10B C9B -172.6(6)
Co2B N2B C10B C9B -39.7(6)
N1B C9B C10B N2B 53.7(7)
C10B N2B C11B C12B 178.7(7)
Co2B N2B C11B C12B 52.9(8)
C10B N2B C11B C19B -59.0(8)
Co2B N2B C11B C19B 175.2(5)
N2B C11B C12B C13B -66.2(10)
C19B C11B C12B C13B 169.6(8)
C11B C12B C13B N3B 69.7(11)
C14B N3B C13B C12B 176.9(7)
Co2B N3B C13B C12B -56.9(9)
C13B N3B C14B C15B 171.3(7)
Co2B N3B C14B C15B 39.4(7)
C16B N4B C15B C14B 171.6(6)
Co2B N4B C15B C14B 38.1(7)
N3B C14B C15B N4B -52.2(8)
C15B N4B C16B C17B 178.5(7)
Co2B N4B C16B C17B -55.4(8)
C15B N4B C16B C20B 55.0(9)
Co2B N4B C16B C20B -178.9(5)
N4B C16B C17B C18B 67.2(9)
C20B C16B C17B C18B -168.8(7)
C9B N1B C18B C17B -178.8(7)
Co2B N1B C18B C17B 54.7(8)
C16B C17B C18B N1B -69.0(10)

_cod_database_fobs_code 2242427