#------------------------------------------------------------------------------
#$Date: 2023-06-06 07:33:28 +0200 (Tue, 06 Jun 2023) $
#$Revision: 284381 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/27/2022745.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_2022745
loop_
_publ_author_name
'Vinaya, ?'
'Anil Kumar, Haleyur G.'
'Mohan Kumar, Thaluru M.'
'Lakshmana, Beliyaiah'
'Basavaraju, Yeriyur B.'
'Yathirajan, Hemmige S.'
'Parkin, Sean'
_publ_section_title
;
 Syntheses, crystal structures and Hirshfeld surface analyses of four
 mol-ecular salts of amitriptynol.
;
_journal_coeditor_code           HB8061
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              451
_journal_page_last               457
_journal_paper_doi               10.1107/S2056989023003225
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          'C20 H26 N O +, C7 H4 Cl O2 -'
_chemical_formula_moiety         'C20 H26 N O +, C7 H4 Cl O2 -'
_chemical_formula_sum            'C27 H30 Cl N O3'
_chemical_formula_weight         451.97
_chemical_name_common
;
Amitriptynolium 2-chlorobenzoate
;
_chemical_name_systematic
'(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 2-chlorobenzoate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-2019/2 and CIFFIX'
_cell_angle_alpha                90
_cell_angle_beta                 95.3590(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7576(2)
_cell_length_b                   22.9081(6)
_cell_length_c                   14.9477(3)
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.88
_cell_volume                     2303.85(10)
_computing_cell_refinement
;
<i>APEX3</i> (Bruker, 2016)
;
_computing_data_collection
;
<i>APEX3</i> (Bruker, 2016)
;
_computing_data_reduction
;
<i>APEX3</i> (Bruker, 2016)
;
_computing_molecular_graphics
;
<i>XP</i> in <i>SHELXTL</i> (Sheldrick, 2008)
;
_computing_publication_material
;
<i>SHELX</i> (Sheldrick, 2008) and <i>publCIF</i> (Westrip,
2010)
;
_computing_structure_refinement
;
<i>SHELXL2019/2</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.244
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    0.195
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.612
_refine_ls_extinction_coef       0.0055(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
<i>SHELXL2019/2</i> (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5279
_refine_ls_number_restraints     404
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0344P)^2^+1.4657P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1102
_reflns_number_gt                4188
_reflns_number_total             5279
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb8061sup1.cif
_cod_data_source_block           III
_cod_depositor_comments
'Adding full bibliography for 2022743--2022746.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2022745
_cod_database_fobs_code          2022745
_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   0.958
_shelx_estimated_absorpt_t_max   0.977
_shelx_hkl_file
;
   1   0   0 -0.1390 0.63534   5
  -1   0   0 0.09343 0.68323   3
  -1   0   0 -0.0529 0.58043   5
   1   0   0 0.20851 0.81455   2
  -1   0   0 -0.4873 0.74103   2
  -2   0   0 1964.04 42.7907   2
  -2   0   0 1916.77 41.5307   3
  -2   0   0 1898.13 39.3860   5
   2   0   0 1919.90 42.6096   2
   2   0   0 1907.92 40.3553   5
   3   0   0 -2.0640 1.23780   2
  -3   0   0 -0.1586 1.28536   3
   3   0   0 0.61082 1.45017   5
  -3   0   0 -0.1847 1.65828   2
  -3   0   0 -0.4145 1.05497   5
  -4   0   0 215.896 9.90623   5
   4   0   0 230.918 11.7877   5
   4   0   0 231.243 13.2125   2
  -4   0   0 212.494 11.9756   3
   5   0   0 -0.1261 2.69701   2
  -5   0   0 -0.4214 1.64058   5
  -5   0   0 4.22190 3.11951   3
   5   0   0 1.20412 2.47737   5
   6   0   0 8.53041 5.09496   2
   6   0   0 -4.9661 2.90294   5
  -6   0   0 -0.1550 2.31127   5
  -6   0   0 0.51212 3.34858   3
  -7   0   0 3.65512 2.22483   5
  -7   0   0 1.53902 3.94235   3
  -8   0   0 -5.5913 3.69178   3
   1  -1   0 328.244 8.91661   5
   1  -1   0 326.139 9.13606   2
  -1  -1   0 329.042 9.68317   3
  -1  -1   0 332.884 8.53321   5
   1   1   0 326.648 9.62942   3
   1   1   0 320.887 8.67872   5
  -1   1   0 323.582 8.70734   5
  -1   1   0 317.435 9.34517   2
   1   1   0 325.276 10.0123   2
   2  -1   0 117.563 6.05041   5
  -2  -1   0 108.206 6.38996   3
  -2  -1   0 118.471 7.09120   2
  -2  -1   0 118.767 5.47339   5
   2  -1   0 112.801 6.57270   2
   2   1   0 112.339 5.84493   5
  -2   1   0 115.240 5.56253   5
   2   1   0 124.404 6.64638   3
  -2   1   0 117.452 6.25055   3
   2   1   0 118.735 6.91883   2
  -2   1   0 120.061 6.62647   2
   3  -1   0 397.947 14.4393   5
   3  -1   0 407.856 15.8202   2
  -3  -1   0 395.592 15.3350   3
  -3  -1   0 404.583 12.9575   5
  -3  -1   0 419.085 16.4825   2
   3   1   0 423.535 14.5287   5
  -3   1   0 411.475 14.9876   3
  -3   1   0 419.041 13.2771   5
   3   1   0 410.894 16.4233   2
  -3   1   0 416.704 16.0892   2
   4  -1   0 53.3574 5.87835   5
  -4  -1   0 55.6086 6.38345   3
  -4  -1   0 59.5695 4.98307   5
   4  -1   0 53.1211 6.33335   2
  -4   1   0 48.5950 6.39279   2
   4   1   0 59.0180 6.88920   2
   4   1   0 53.8813 5.72268   5
  -4   1   0 65.3427 6.33522   3
  -4   1   0 55.4774 4.93784   5
   5  -1   0 150.502 11.8411   2
  -5  -1   0 135.419 10.9751   3
   5  -1   0 142.391 10.5416   5
  -5  -1   0 142.139 8.27480   5
  -5   1   0 139.601 8.45616   5
   5   1   0 131.858 10.5505   5
  -5   1   0 150.636 11.9159   2
  -5   1   0 149.551 10.8934   3
   5   1   0 141.133 11.8466   2
   6  -1   0 184.987 15.0470   2
   6  -1   0 171.508 13.4044   5
  -6  -1   0 167.918 13.5856   3
  -6  -1   0 184.414 9.71712   5
  -6   1   0 186.624 13.7862   3
   6   1   0 173.612 13.2922   5
  -6   1   0 176.619 9.73402   5
   6   1   0 184.178 15.5595   2
  -7  -1   0 105.436 11.2857   3
  -7  -1   0 105.151 6.68870   5
  -7   1   0 116.147 11.6936   3
  -7   1   0 101.704 6.86664   5
  -8  -1   0 22.1186 6.02572   3
  -8   1   0 30.4996 7.29382   3
  -1  -2   0 662.068 15.4779   5
   1  -2   0 670.876 15.3228   5
  -1  -2   0 683.038 17.2246   3
   1  -2   0 667.868 15.6945   2
  -1   2   0 672.770 15.6988   2
   1   2   0 671.140 16.5579   3
   1   2   0 659.426 15.2161   5
  -1   2   0 680.359 16.0341   5
   2  -2   0 372.756 12.1225   5
   2  -2   0 368.175 12.6190   2
  -2  -2   0 368.739 12.8724   3
  -2  -2   0 372.960 11.1798   5
  -2   2   0 358.569 12.6476   2
   2   2   0 373.905 12.9556   3
   2   2   0 370.926 11.8151   5
  -2   2   0 367.756 11.5441   5
   2   2   0 373.990 13.5603   2
   3  -2   0 3.01672 1.94140   2
  -3  -2   0 -1.8348 1.23355   3
   3  -2   0 -0.1841 1.34658   5
  -3  -2   0 -1.6433 1.13541   5
   3   2   0 -1.9335 1.21287   3
  -3   2   0 -1.2345 1.28166   2
  -3   2   0 -1.0054 1.07857   5
  -3   2   0 -0.3653 1.29612   3
   3   2   0 0.24345 1.17450   5
   4  -2   0 47.1959 5.56054   5
  -4  -2   0 48.6985 4.64622   5
   4  -2   0 46.9572 5.97966   2
  -4   2   0 44.5459 4.57134   5
  -4   2   0 48.2990 5.58483   3
   4   2   0 58.7792 5.91730   5
   4   2   0 56.4590 6.83574   2
  -4   2   0 51.9466 6.54222   2
   5  -2   0 -0.6023 2.25110   5
   5  -2   0 4.92950 3.76337   2
  -5  -2   0 3.07529 2.01958   5
  -5  -2   0 2.87247 3.02238   3
  -5   2   0 4.45117 2.13277   5
  -5   2   0 3.07595 3.11780   2
   5   2   0 0.73430 3.12711   5
  -5   2   0 2.13370 2.48153   3
   5   2   0 -1.7453 2.78343   2
  -6  -2   0 87.5959 6.79264   5
  -6  -2   0 90.4377 10.5695   3
   6  -2   0 96.7138 10.9979   2
   6  -2   0 83.4241 10.1726   5
  -6   2   0 92.1894 10.5811   3
  -6   2   0 85.3963 10.8517   2
  -6   2   0 89.9536 7.30395   5
   6   2   0 91.7349 11.7005   2
   6   2   0 105.834 10.5382   5
  -7  -2   0 399.827 14.0420   5
  -7  -2   0 399.663 22.7230   3
  -7   2   0 439.849 22.2890   3
  -7   2   0 402.872 14.7288   5
  -8  -2   0 157.787 15.1263   3
   0  -3   0 0.30730 0.63884   5
   0  -3   0 -1.0419 0.40143   4
   0  -3   0 -0.0232 0.70278   3
   0   3   0 0.48467 0.78797   5
   0   3   0 -0.1973 0.38854   3
   0   3   0 -1.1605 0.49083   4
   1  -3   0 53.2912 3.59457   5
   1  -3   0 59.7528 4.30381   4
  -1  -3   0 52.0249 3.33521   5
   1  -3   0 57.0153 3.64514   2
  -1  -3   0 59.3864 4.19891   3
   1   3   0 49.8501 3.42891   5
   1   3   0 51.5946 3.80529   4
   1   3   0 57.2599 3.95539   3
  -1   3   0 55.0766 3.52806   5
  -1   3   0 57.8008 3.72026   2
  -2  -3   0 851.500 20.5164   5
   2  -3   0 826.155 22.2290   2
  -2  -3   0 824.803 23.2671   3
   2  -3   0 879.809 21.9898   5
   2   3   0 858.105 23.4253   3
   2   3   0 843.770 24.0693   2
   2   3   0 844.277 21.2978   5
  -2   3   0 824.782 22.2265   2
  -2   3   0 868.008 21.2583   5
   3  -3   0 109.570 7.70415   2
  -3  -3   0 114.535 6.35820   5
   3  -3   0 121.216 7.66461   5
  -3  -3   0 113.791 8.26788   3
   3   3   0 122.521 7.42524   5
   3   3   0 129.548 8.97571   2
  -3   3   0 114.605 6.71382   5
  -3   3   0 111.193 7.90864   2
  -4  -3   0 118.492 9.32878   3
   4  -3   0 109.669 8.27872   5
   4  -3   0 105.605 8.72169   2
  -4  -3   0 104.441 6.79041   5
  -4   3   0 115.636 9.24063   2
   4   3   0 103.481 9.15262   2
  -4   3   0 110.993 7.29824   5
   4   3   0 113.592 8.27263   5
  -4   3   0 105.525 8.18094   3
   5  -3   0 124.534 10.2713   5
  -5  -3   0 118.409 10.6380   3
  -5  -3   0 117.340 7.49103   5
   5  -3   0 138.496 11.3010   2
  -5   3   0 116.383 10.6396   2
   5   3   0 128.095 11.6389   2
  -5   3   0 134.132 10.1977   3
  -5   3   0 120.340 8.03291   5
   5   3   0 111.510 9.48005   5
   6  -3   0 864.896 32.4590   5
   6  -3   0 893.894 34.4720   2
  -6  -3   0 885.392 33.5170   3
  -6   3   0 889.183 25.4345   5
   6   3   0 882.133 31.7904   5
   6   3   0 842.544 35.3678   2
  -6   3   0 888.528 33.6864   2
  -6   3   0 933.193 31.9518   3
  -7  -3   0 18.8080 6.26879   3
  -7  -3   0 17.3623 3.29160   5
  -7   3   0 11.6221 5.08278   3
  -7   3   0 25.6191 4.17167   5
  -8  -3   0 27.6676 8.36248   3
   0  -4   0 282.022 9.40086   3
   0  -4   0 270.866 8.54475   5
   0  -4   0 276.351 8.95540   4
   0   4   0 271.652 8.60230   5
   0   4   0 301.786 9.23889   4
   0   4   0 301.156 9.38285   3
  -2  -4   0 485.485 16.6261   3
  -2  -4   0 483.608 13.9819   5
   2  -4   0 483.874 15.0415   5
   2  -4   0 482.929 15.5323   2
   2   4   0 495.970 14.5994   5
   2   4   0 505.385 16.6603   3
  -2   4   0 487.245 14.5131   5
  -2   4   0 475.402 15.3431   2
  -3  -4   0 718.733 20.0332   5
  -3  -4   0 729.120 24.1048   3
   3  -4   0 758.503 23.1860   2
   3  -4   0 789.474 24.9871   5
  -3   4   0 736.459 20.9733   5
   3   4   0 753.140 24.3272   3
   3   4   0 696.749 24.5296   2
  -3   4   0 755.513 23.1489   2
   3   4   0 795.632 24.2652   5
  -4  -4   0 24.0785 3.37510   5
   4  -4   0 25.6368 4.41640   2
  -4  -4   0 21.5361 4.88686   3
   4  -4   0 20.9168 4.30049   5
  -4   4   0 28.3927 3.93279   5
  -4   4   0 27.1578 4.68739   2
  -4   4   0 31.1691 4.47769   3
   4   4   0 20.7959 5.00520   2
   4   4   0 17.4870 4.61334   3
   4   4   0 14.7275 4.00637   5
   5  -4   0 109.353 9.87201   2
  -5  -4   0 100.372 10.1661   3
   5  -4   0 95.1567 9.13002   5
  -5  -4   0 102.479 6.94511   5
   5   4   0 121.066 11.2624   2
  -5   4   0 111.649 7.90494   5
  -5   4   0 98.3757 8.82169   3
   5   4   0 92.4748 8.65176   5
  -5   4   0 98.3612 9.79541   2
   6  -4   0 38.8451 8.42258   5
  -6  -4   0 45.6434 5.16837   5
   6  -4   0 62.7970 10.8611   2
  -6  -4   0 46.0902 8.15885   3
  -6   4   0 42.9022 7.09203   3
  -6   4   0 23.3114 6.81124   2
  -6   4   0 34.8217 5.35757   5
   6   4   0 37.9995 9.52671   2
   6   4   0 45.1226 7.53774   5
  -7  -4   0 21.9312 3.90739   5
  -7  -4   0 17.7853 6.33352   3
  -7   4   0 22.5574 6.13913   3
  -7   4   0 32.4065 4.73864   5
  -8  -4   0 2.08710 3.92433   3
  -8   4   0 7.20076 4.93087   3
   0  -5   0 1.25067 1.40905   3
   0  -5   0 1.87275 1.25707   4
   0   5   0 1.48643 1.26985   4
   0   5   0 1.22672 1.07422   3
   0   5   0 1.86418 0.98754   5
   2  -5   0 3159.19 64.9794   5
   2  -5   0 3129.56 69.1858   4
  -2  -5   0 3022.20 67.1167   3
   2  -5   0 3163.57 64.7242   2
  -2   5   0 3158.61 64.9678   2
   2   5   0 3187.09 63.0724   5
   2   5   0 3160.42 66.1473   3
  -2   5   0 3132.18 64.1860   5
   2   5   0 3129.02 66.1258   4
   3  -5   0 645.558 21.0338   2
  -3  -5   0 651.701 22.7549   3
  -3  -5   0 617.407 18.2538   5
   3  -5   0 639.719 20.5816   5
   3   5   0 649.588 20.3050   5
  -3   5   0 647.888 21.0228   2
   3   5   0 632.463 23.2475   2
  -3   5   0 642.050 19.3346   5
   3   5   0 643.421 22.4724   3
  -4  -5   0 57.0940 7.14002   3
   4  -5   0 57.9354 6.38212   2
   4  -5   0 63.0214 6.58583   5
  -4  -5   0 59.6211 5.05040   5
   4   5   0 63.4289 6.98147   3
   4   5   0 69.5728 6.62880   5
   4   5   0 48.7922 6.84893   2
  -4   5   0 53.4980 6.34219   2
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   3   8  -2 349.043 16.6661   4
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   2  -1   3 720.483 21.8110   4
   2  -1   3 728.212 18.0667   2
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   2   1   3 719.528 18.8025   3
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   3   1   3 14.3456 2.94262   3
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   3   1   3 24.0025 2.82448   5
   3   1   3 19.0321 3.43407   2
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   4  -1   3 36.2676 4.65632   5
   4   1   3 43.0512 4.55742   5
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   5   2  -3 229.049 14.3031   5
   5   2  -3 211.381 18.3203   2
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   4  -2  -3 440.905 18.3175   5
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   4   2  -3 413.942 17.7859   5
   4   2  -3 436.704 20.2511   2
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   3  -2  -3 1727.72 43.8545   2
   3   2  -3 1664.68 43.9682   2
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   2  -2  -3 2565.73 54.7993   5
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   2   2  -3 2581.18 54.8183   5
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   2   2  -3 2555.21 57.0096   4
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   2   2  -3 2545.09 57.3388   2
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   0  -2   3 516.872 11.7341   5
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   2  -2   3 40.3176 4.71328   4
   2  -2   3 34.6794 2.33948   5
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   2   2   3 39.8799 3.78738   3
   3  -2   3 19.8267 2.77784   5
   3  -2   3 21.1169 3.05662   2
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   3  -2   3 18.5875 4.49171   4
   3   2   3 18.1367 2.62455   5
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   3   2   3 24.2458 3.62359   3
   3   2   3 17.0200 3.90011   2
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   4  -2   3 618.080 24.0957   2
   4   2   3 654.578 22.2289   3
   4   2   3 640.801 19.6263   5
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   4   2   3 675.351 23.7936   2
   5  -2   3 369.710 17.5794   2
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   5  -2   3 377.094 16.5457   5
   5   2   3 394.004 19.7221   2
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   5   2   3 375.494 16.4542   5
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  -7   3   3 111.350 12.1736   3
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   5  -3  -3 540.246 24.8484   2
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   5   3  -3 557.587 22.9037   5
  -5   3   3 558.635 24.1150   3
   5   3  -3 527.118 25.4188   2
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   4  -3  -3 27.8460 5.33490   5
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   4   3  -3 28.2770 5.31535   5
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   4   3  -3 31.3992 6.31253   2
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   3   3  -3 1038.94 32.2066   2
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   3   3  -3 1097.34 30.0423   5
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   2  -3  -3 1885.35 45.3157   2
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   2   3  -3 1854.41 44.8144   4
   2   3  -3 1996.10 43.1733   5
   2   3  -3 1873.90 45.3054   2
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   0  -3   3 3847.74 86.8691   1
   0   3  -3 3759.57 88.8836   1
   0   3   3 3753.54 86.6687   1
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   2  -3   3 535.746 18.8283   4
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   2   3   3 548.737 16.9922   3
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   3  -3   3 171.176 8.34791   2
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   3   3   3 173.281 9.62371   3
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   3   3   3 190.561 7.79838   5
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   4  -3   3 441.148 21.5577   4
   4  -3   3 466.466 17.0868   2
   4  -3   3 460.991 16.4434   5
   4   3   3 448.794 17.5828   5
   4   3   3 475.521 18.4951   3
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   4   3   3 449.011 19.3432   2
   5  -3   3 12.0659 4.42776   4
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   5  -3   3 8.98092 3.46097   2
   5  -3   3 3.59137 3.58743   5
   5   3   3 8.61207 3.21282   5
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   5   3   3 7.52587 3.62154   2
   5   3   3 11.2035 4.53140   3
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   6  -3   3 1.45632 3.44124   5
   6  -3   3 0.94287 3.38396   2
   6   3   3 0.38098 3.76511   2
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   5  -4  -3 36.9406 6.99468   5
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   5   4  -3 48.5187 7.55338   2
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   4   4  -3 569.063 21.2433   5
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   3  -4  -3 233.728 12.0067   5
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   3   4  -3 245.398 12.2146   5
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   3   4  -3 254.836 14.0307   2
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   2  -4  -3 33.1417 4.79165   2
   2   4  -3 33.8468 4.81587   2
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   0   4  -3 3039.69 79.2354   1
   0   4   3 3109.04 78.5448   1
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   1   4   3 19.0659 1.66239   4
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   2  -4   3 2201.54 42.8665   2
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   2  -4   3 2275.06 52.0296   4
   2   4   3 2140.61 49.1281   3
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   3  -4   3 754.358 20.3112   2
   3  -4   3 740.017 26.4952   4
   3  -4   3 748.877 20.5858   5
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   3   4   3 763.838 19.6848   5
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   4  -4   3 23.3544 4.25323   2
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   4  -4   3 27.9252 6.14728   4
   4   4   3 40.6374 5.92756   2
   4   4   3 34.7493 5.19663   3
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   5  -4   3 12.7848 5.06085   4
   5  -4   3 15.6846 4.21943   2
   5  -4   3 11.9862 3.69909   5
   5   4   3 13.1076 4.30265   3
   5   4   3 11.9395 3.44569   5
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   5   4   3 17.6699 5.27509   2
   6  -4   3 11.9603 4.49419   5
   6  -4   3 10.9886 4.12805   2
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   6   4   3 10.1644 4.75880   5
   6   4   3 10.7492 4.77182   2
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   7  -4   3 18.1740 5.93571   2
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   8   5  -3 49.3509 11.3222   4
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   7   5  -3 9.05043 5.69368   4
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  -6   5   3 195.554 13.5209   5
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   6   5  -3 236.740 18.4627   4
   5  -5  -3 58.2938 8.49610   2
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   3  -1   4 104.459 5.01841   5
   3  -1   4 102.628 8.46914   4
   3  -1   4 109.966 5.81837   3
   3   1   4 102.455 6.57089   3
   3   1   4 104.727 4.76223   5
   3   1   4 98.0434 7.04651   2
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   4  -1   4 594.154 18.0305   5
   4  -1   4 576.137 24.5664   4
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   4  -1   4 606.305 23.2959   2
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   4   1   4 596.027 17.8070   5
   4   1   4 584.323 20.3118   3
   4   1   4 593.861 21.3158   2
   5  -1   4 68.6314 6.54908   5
   5  -1   4 77.4252 8.15173   2
   5   1   4 90.8794 7.58037   5
   5   1   4 80.9506 8.52174   2
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   6  -1   4 -4.6118 3.04889   5
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   7  -1   4 15.0619 6.00895   2
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  -8   2   4 57.0009 9.89022   3
  -8   2   4 63.8129 10.6795   2
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   5   2  -4 23.4138 5.73868   5
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   4   2  -4 54.6577 7.77727   2
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   3   2  -4 133.187 8.70587   5
   3   2  -4 143.335 10.2550   2
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   2  -2  -4 800.745 22.4574   5
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   2   2  -4 799.072 24.3797   4
   2   2  -4 807.103 24.9001   2
   2   2  -4 768.529 22.2114   5
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   0   2   4 1134.29 27.5696   2
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   1   2   4 1058.11 26.2245   3
   1   2   4 1087.06 26.4729   2
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   1   2   4 1032.84 22.7982   4
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   2  -2   4 3918.09 72.3617   3
   2  -2   4 3937.89 81.6717   4
   2   2   4 3903.83 78.6963   3
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   3  -2   4 1439.08 40.0040   4
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   3  -2   4 1446.99 31.4813   5
   3  -2   4 1488.18 33.8736   2
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   3   2   4 1466.35 35.6010   3
   3   2   4 1456.10 30.5200   5
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   4  -2   4 29.6886 4.07195   5
   4  -2   4 30.9747 6.67393   4
   4  -2   4 28.9055 4.41383   2
   4   2   4 28.4712 4.46487   3
   4   2   4 31.2325 5.19224   2
   4   2   4 30.2344 3.99119   5
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   5   2   4 94.1381 9.21581   2
   5   2   4 94.7144 7.76941   5
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   6  -2   4 210.274 13.4569   5
   6   2   4 219.171 17.9663   2
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  -7   3   4 14.0333 6.33650   3
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   5   3  -4 14.1876 4.62456   5
   5   3  -4 17.8851 5.59010   2
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   4  -3  -4 285.600 14.6456   5
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   4  -3  -4 276.751 16.0642   2
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   4   3  -4 283.826 16.3596   2
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   4   3  -4 284.678 14.6860   5
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   3  -3  -4 1317.25 37.8263   2
   3  -3  -4 1368.45 35.2224   5
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   3   3  -4 1299.18 38.2891   2
   3   3  -4 1326.71 37.7845   4
   3   3  -4 1286.26 35.2019   5
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   2   3  -4 457.834 17.5900   4
   2   3  -4 496.171 16.4399   5
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   1   3  -4 258.492 9.51585   5
   1   3  -4 262.346 11.0240   4
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   0  -3   4 1863.36 41.3601   4
   0  -3  -4 1872.57 35.2886   4
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   0   3   4 1841.86 36.4385   5
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   1  -3   4 481.833 16.0109   4
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   1   3   4 462.078 15.6652   2
   1   3   4 481.490 15.7917   3
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   1   3   4 484.003 11.2915   4
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   2  -3   4 1882.63 36.2382   5
   2  -3   4 1867.52 36.7228   2
   2  -3   4 1924.96 45.5541   4
   2  -3   4 1902.41 36.3067   5
   2   3   4 1830.70 42.6956   3
   3  -3   4 225.453 13.2467   4
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   3  -3   4 218.526 9.03269   2
   3  -3   4 236.396 8.88991   5
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   3   3   4 225.522 7.93539   5
   3   3   4 243.791 11.4703   3
   4  -3   4 28.2444 4.12308   2
   4  -3   4 22.4962 5.47556   4
   4  -3   4 19.6002 3.61925   5
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   4   3   4 24.1351 4.25870   3
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   4   3   4 25.0931 3.81020   5
   4   3   4 24.6350 5.11153   2
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   5  -3   4 79.4303 10.4358   4
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   5   3   4 99.1728 9.86924   2
   5   3   4 83.7053 7.09291   5
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  -8   4   4 51.9614 9.40472   3
   8   4  -4 32.4715 9.94998   4
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   7   4  -4 19.7237 7.18515   4
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   6   4  -4 76.5969 12.4227   4
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   5   4  -4 19.6100 5.33202   5
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   5   4  -4 22.8159 6.55161   4
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   4   4  -4 960.622 34.1277   4
   4   4  -4 1013.21 31.1749   5
   4   4  -4 941.810 34.0658   2
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   3   4  -4 1267.47 33.8520   5
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   3   4  -4 1170.55 35.9271   2
   3   4  -4 1246.01 36.3011   4
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   2   4  -4 1020.53 29.1348   4
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   0   4   4 377.914 14.3163   3
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   1   4   4 1256.99 24.4484   4
   1   4   4 1293.93 32.0929   3
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   2  -4   4 1051.17 21.0346   2
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   2   4   4 1073.25 28.5199   3
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   3  -4   4 54.3512 4.05808   2
   3  -4   4 54.1045 4.32019   5
   3  -4   4 41.9284 6.16143   4
   3   4   4 54.1697 3.84671   5
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   4  -4   4 6.59896 2.66866   2
   4  -4   4 7.71857 2.80749   5
   4  -4   4 5.06154 3.52140   4
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   4   4   4 11.9522 2.88837   5
   4   4   4 8.61897 3.10406   3
   4   4   4 14.8707 4.16445   2
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   5  -4   4 133.993 12.9660   4
   5   4   4 139.844 11.2560   3
   5   4   4 135.347 9.32931   5
   5   4   4 147.620 12.1444   2
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   6  -4   4 8.50285 4.13721   5
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   6   4   4 1.37890 3.22732   5
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   7   5  -4 27.4463 8.61453   4
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   5  -5  -4 105.463 10.3327   5
   5   5  -4 121.389 12.6876   4
   5   5  -4 124.893 10.8945   5
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   3  -7  -4 334.674 17.4234   2
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   3   7  -4 320.276 16.6849   4
   3   7  -4 338.355 17.3537   2
   3   7  -4 343.776 15.6130   5
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   3   7  -4 354.478 17.4779   3
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   1   7   4 3052.50 57.9496   4
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   1   7   4 3113.68 69.1650   3
   2  -7   4 497.012 15.7064   5
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   2  -7   4 491.817 20.2627   4
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   2   7   4 492.091 14.3013   4
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   2   7   4 492.496 19.2705   3
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   3  -7   4 306.634 16.6825   4
   3  -7   4 289.722 9.82991   2
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   3   7   4 280.989 11.2538   5
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   3   7   4 295.343 14.9855   3
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   3   7   4 286.165 12.4475   4
   4  -7   4 495.170 18.6234   5
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   4  -7   4 480.238 16.3525   2
   4  -7   4 520.937 25.1643   4
   4   7   4 477.649 17.2649   5
   4   7   4 534.837 22.0462   3
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   5   7   4 52.6917 7.90152   3
   6  -7   4 44.8283 6.80170   2
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   6  -7   4 48.3036 8.52937   5
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   7  -7   4 -0.8089 4.13526   2
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   8   7   4 16.1223 8.51648   4
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   8   8  -4 4.64096 6.97501   4
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   7   8  -4 24.9666 7.47580   4
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   6   8  -4 79.2196 11.4125   4
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   5  -8  -4 30.7386 7.08471   2
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   5   8  -4 18.4069 5.74484   4
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   4  -8  -4 358.992 19.5529   2
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  -4   8   4 392.628 20.1573   2
  -4   8   4 392.777 18.4209   5
   4   8  -4 405.023 20.6348   4
   3  -8  -4 25.4962 5.00753   5
   3  -8  -4 25.3650 5.39201   2
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   3   8  -4 33.4282 6.12685   2
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   3   8  -4 32.6908 5.34430   3
   3   8  -4 21.5921 5.38841   4
   3   8  -4 27.3150 4.97371   5
   2  -8  -4 1079.75 29.7772   5
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   2  -8  -4 1052.35 33.0779   2
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   2   8  -4 1099.11 32.6708   2
   2   8  -4 1157.53 32.9645   3
   2   8  -4 1065.29 29.8343   5
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   2   8  -4 1109.64 33.0644   4
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   1  -8  -4 1049.76 27.1857   4
   1  -8  -4 989.436 31.2676   2
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   1  -8  -4 1048.60 27.1594   5
   1   8  -4 1031.82 27.7785   5
  -1   8   4 1045.62 32.0483   3
   1   8  -4 1113.79 29.8366   3
   1   8  -4 1077.83 31.4273   4
  -1   8   4 1046.83 31.8197   2
  -1   8   4 1025.36 28.1266   5
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   3  -4   5 20.6468 4.78174   4
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   5   5  -5 192.587 15.6693   4
   5   5  -5 174.198 14.6755   2
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   4   5  -5 479.686 20.5045   5
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   3   5  -5 1346.91 38.5468   4
   3   5  -5 1302.73 35.7081   5
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   4   8   5 224.482 11.1186   5
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   7  -8   5 11.8581 4.59020   2
   7   8   5 22.0020 7.06459   4
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   7   9  -5 11.9108 5.60629   4
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   2   0   6 1958.54 42.6212   3
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   4   1  -6 323.283 19.1179   2
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   2   2   6 73.6647 6.03042   2
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   4   2   6 164.205 11.0118   2
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   5   2   6 68.4292 8.15932   2
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   5   2   6 57.7500 6.87142   3
   5   2   6 68.9075 8.92825   4
   5   2   6 72.9208 6.46644   5
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   5   3  -6 36.4261 7.39977   2
   5   3  -6 47.1778 8.20051   4
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   4   3  -6 2.11563 3.13733   2
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   3  -3  -6 128.551 10.6398   2
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   3   3  -6 118.833 10.0451   4
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   3   3  -6 119.680 8.90090   5
   3   3  -6 124.486 10.4508   2
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   2  -3  -6 188.406 11.8401   2
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   2  -3  -6 197.790 11.1462   5
   2   3  -6 186.714 11.2601   4
   2   3  -6 182.722 9.62352   5
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   2   3  -6 184.925 11.3849   2
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   0  -3  -6 1870.74 37.1446   4
   0  -3   6 1886.03 40.3135   2
   0  -3   6 1920.65 43.4511   4
   0  -3   6 1848.54 38.3465   5
   0   3  -6 1803.82 39.9975   2
   0   3   6 1913.50 45.5553   3
   0   3   6 1858.11 44.4285   2
   0   3   6 1853.48 37.1362   5
   0   3  -6 1833.93 43.4207   4
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   1  -3   6 3073.18 64.7494   4
   1   3   6 2950.92 56.6229   4
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   1   3   6 2952.91 64.2965   2
   1   3   6 2902.57 64.2982   3
   2  -3   6 49.4318 1.97460   3
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   2  -3   6 50.2839 2.32820   2
   2  -3   6 55.9709 5.95900   4
   2  -3   6 52.4414 2.44825   2
   2   3   6 57.7364 5.52405   3
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   2   3   6 51.1145 4.26268   4
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   3  -3   6 1156.62 25.7396   2
   3  -3   6 1150.06 35.1586   4
   3  -3   6 1152.41 24.3521   5
   3   3   6 1157.12 31.2319   3
   3   3   6 1133.44 31.4931   4
   4  -3   6 10.4980 4.00436   4
   4  -3   6 14.0840 2.93748   5
   4  -3   6 16.7201 3.16403   2
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   4   3   6 16.8334 4.45388   4
   4   3   6 16.0711 4.16822   2
   4   3   6 16.8273 2.94950   5
   4   3   6 12.3726 3.50588   3
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   5  -3   6 83.0626 8.23773   2
   5  -3   6 95.7949 11.5210   4
   5  -3   6 83.5697 7.38836   5
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   5   3   6 72.7495 6.63819   5
   5   3   6 75.2916 9.05340   4
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   3  -3   7 185.724 5.62211   5
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   3   3   7 184.496 10.2576   4
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   4   3   7 200.239 11.2659   3
   4   3   7 190.674 12.4982   4
   4   3   7 205.390 7.72104   5
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   5   3   7 42.5846 6.60618   3
   5   3   7 53.1842 7.79321   4
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   6  -3   7 70.2744 7.43904   2
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   2   4   7 244.660 9.01547   4
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   2   4   7 215.268 13.6006   3
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   3  -4   7 396.336 18.9645   4
   3  -4   7 396.586 11.1793   5
   3   4   7 371.335 16.1107   3
   3   4   7 412.645 15.4747   4
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   4   4   7 -1.5354 1.93849   4
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   5   4   7 77.5645 9.76601   2
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   2  -6   7 65.2366 7.60383   4
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   2   6   7 79.3770 7.62258   3
   2   6   7 73.8488 3.86591   4
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   3  -6   7 119.623 10.5709   4
   3  -6   7 109.962 6.39465   5
   3   6   7 110.309 7.17276   4
   3   6   7 107.256 9.18008   3
   4  -6   7 7.54340 4.91744   4
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   4   6   7 3.20418 2.62080   3
   4   6   7 12.4087 3.54412   4
   4   6   7 5.13740 1.89660   5
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   5  -6   7 95.3070 5.70651   2
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   5   6   7 88.5128 9.82980   4
   5   6   7 89.8982 9.99171   3
   5   6   7 95.0135 7.38872   5
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   6   6   7 133.008 10.5537   5
   6   6   7 132.066 12.3305   4
   6   6   7 119.489 12.4853   3
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   8   7  -7 2.64056 6.19394   4
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   7   7  -7 120.848 15.9056   4
  -7   7   7 113.993 13.4961   5
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   6   7  -7 167.388 16.5737   4
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   5   7  -7 45.8772 9.36099   4
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   4   7  -7 3.07542 3.82547   2
   4   7  -7 5.18754 3.14254   5
   4   7  -7 4.11709 3.45024   4
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   3   7  -7 13.5250 4.12682   5
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   3   7  -7 9.07221 3.77007   4
  -3   7   7 1.34049 2.99057   5
   3   7  -7 15.5267 4.86252   2
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   2   7  -7 1431.40 36.9800   5
   2   7  -7 1377.85 40.4101   2
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   5   1  -8 14.8629 6.10061   4
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   4  -1  -8 171.216 13.7959   4
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   4   1  -8 151.009 13.0085   2
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   4   1  -8 167.028 13.9355   4
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   3   1  -8 -0.0444 2.34767   4
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   2  -1  -8 35.7190 5.86492   2
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   2   1  -8 33.0238 5.82603   2
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   1   1   8 1844.23 43.2381   2
   1   1   8 1850.28 40.8074   4
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   1   1   8 1907.00 44.5099   3
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   2   1   8 -0.2618 1.50542   2
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   3  -1   8 667.899 24.0844   4
   3  -1   8 671.142 19.2005   2
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   3   1   8 655.947 22.9004   4
   3   1   8 665.249 20.2853   3
   3   1   8 669.056 21.5146   2
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   4   1   8 -2.9273 2.04738   2
   4   1   8 4.57111 3.46534   4
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   4   1   8 -0.1338 1.02230   5
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   5  -1   8 2.05867 5.15582   4
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   5   1   8 0.47439 2.91296   2
   5   1   8 0.13414 4.19978   4
   5   1   8 1.22069 2.28513   3
   5   1   8 7.58480 2.33619   5
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   6  -1   8 55.9973 6.73259   5
   6   1   8 54.8354 6.72603   5
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   6   1   8 54.8278 8.41981   2
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   7  -1   8 8.18121 5.60545   2
   7  -1   8 21.9030 5.49163   5
   7   1   8 19.9546 6.44932   2
   7   1   8 20.9183 5.99037   5
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  -8   2   8 43.3066 9.55311   5
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   7   2  -8 27.3768 8.97126   4
  -7   2   8 5.85740 5.65911   3
  -7   2   8 27.0268 8.36261   2
  -7   2   8 11.2915 5.33711   5
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   6   2  -8 240.714 19.5948   4
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  -6   2   8 193.182 17.7937   2
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   5   2  -8 347.105 21.7592   4
  -5   2   8 308.938 21.0631   2
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   4  -2  -8 250.853 17.5704   2
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   4   2  -8 295.815 18.1223   4
  -4   2   8 249.785 17.4762   2
   4   2  -8 276.736 18.2491   2
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   3  -2  -8 4.02085 3.23922   4
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   3  -2  -8 6.01878 2.64555   5
   3  -2  -8 1.95333 2.20003   2
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   3   2  -8 1.48929 2.66230   4
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   3   2  -8 4.34459 3.02732   5
   3   2  -8 0.03922 2.70459   2
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   2   2  -8 79.7837 6.02376   5
   2   2  -8 93.2629 8.56418   2
   2   2  -8 80.2033 7.77600   4
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   1   2  -8 725.809 23.3427   4
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   0   2   8 582.362 15.0866   5
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   0   2   8 589.351 20.9629   2
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   2   2   8 3.33903 2.12110   3
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   3  -2   8 5.89044 1.84033   2
   3  -2   8 4.97794 1.39069   3
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   3  -2   8 5.55130 1.69817   2
   3   2   8 4.41757 2.58918   3
   3   2   8 5.08112 2.57416   2
   3   2   8 4.39776 2.46459   4
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   4   2   8 48.5015 2.94723   5
   4   2   8 41.0037 5.96809   2
   4   2   8 48.6311 5.42542   3
   4   2   8 35.9726 6.49844   4
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   5  -2   8 77.4962 6.74494   2
   5   2   8 77.4208 9.53864   4
   5   2   8 71.0324 7.39777   3
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   5   2   8 71.8075 7.81914   2
   5   2   8 79.5288 6.11442   5
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   6   2   8 12.9563 3.85253   5
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   6   2   8 4.19846 4.88444   2
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   7   2   8 2.59562 3.99614   2
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   0   3   8 23.6457 4.37237   2
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   0   3   8 15.9900 2.32895   5
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   1  -3   8 143.530 4.38180   5
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   1   3   8 143.044 9.73900   3
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   2  -3   8 13.2102 1.65933   2
   2  -3   8 10.4522 1.81531   3
   2   3   8 9.69227 3.54896   2
   2   3   8 18.1353 2.73491   4
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   3  -3   8 33.7983 5.75156   4
   3  -3   8 27.5002 2.40855   2
   3  -3   8 28.5131 2.32347   2
   3   3   8 29.6971 5.02567   2
   3   3   8 31.7849 4.96236   3
   3   3   8 24.2007 4.22777   4
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   4  -3   8 19.6391 3.13110   5
   4  -3   8 21.7942 5.89575   4
   4  -3   8 24.5741 3.16255   2
   4   3   8 27.0180 4.79775   4
   4   3   8 25.1389 2.41076   5
   4   3   8 24.9255 4.90840   3
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   5  -3   8 52.9137 5.14597   2
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   5  -3   8 65.6126 6.25266   5
   5   3   8 45.4430 7.59899   2
   5   3   8 58.1190 6.98129   3
   5   3   8 53.8452 5.31328   5
   5   3   8 49.0301 7.79717   4
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   6  -3   8 154.918 11.3259   5
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   6   3   8 156.179 11.0728   5
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   7  -3   8 -4.4305 2.60272   2
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   5   4  -8 4.52504 4.48997   4
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   4   4  -8 18.2766 5.28081   5
   4   4  -8 19.7881 5.83741   4
   4   4  -8 26.9297 6.54113   2
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   3   4  -8 0.17482 2.37842   5
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   2  -4  -8 -4.7079 1.85067   2
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   2   4  -8 2.41442 2.34875   2
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   2   4  -8 3.55709 2.31433   5
   2   4  -8 0.71006 2.33097   4
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   1  -4  -8 775.017 27.1281   2
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   1  -4  -8 755.042 21.0593   4
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   1   4  -8 776.148 25.7311   4
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   1   4  -8 755.572 18.6282   5
   1   4  -8 780.356 27.6986   2
   1   4  -8 751.510 18.6696   5
   0  -4  -8 1066.64 23.7216   4
   0  -4   8 1037.18 25.9195   5
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   2   6   9 517.555 22.1611   2
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   3  -6   9 27.2872 6.80720   4
   3   6   9 24.6730 3.27059   4
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   3   6   9 18.6771 5.01183   2
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   4   6   9 39.2173 7.85634   2
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   1  -1  11 65.2437 6.76100   4
   1  -1  11 59.7880 3.29916   5
   1   1  11 73.3244 6.19136   4
   1   1  11 56.2992 2.53661   5
   1   1  11 63.0676 7.20635   3
   1   1  11 56.7525 6.88771   2
  -1   1 -11 48.9797 6.60131   4
   2  -1  11 1351.14 37.1392   4
   2  -1  11 1326.02 33.5705   2
   2  -1  11 1352.19 34.7553   3
   2   1  11 1337.21 36.0869   2
   2   1  11 1339.02 36.9615   3
   2   1  11 1336.80 34.7209   4
  -2   1 -11 1346.84 38.2425   4
   3  -1  11 257.198 14.6910   4
   3  -1  11 279.400 11.0575   3
   3  -1  11 268.474 11.2909   2
   3   1  11 272.410 13.6802   4
   3   1  11 286.446 13.8550   2
   4  -1  11 132.459 11.5027   4
   4  -1  11 142.387 7.85099   2
   4  -1  11 132.586 6.37386   3
   4  -1  11 131.535 7.37331   2
   4   1  11 133.489 11.1067   4
   4   1  11 122.090 8.96509   2
   4   1  11 133.313 9.40632   2
   4   1  11 133.746 8.81225   3
   5  -1  11 -1.8773 1.81164   2
   5  -1  11 3.72793 2.37609   2
   5  -1  11 2.24899 4.13523   4
   5  -1  11 -1.3497 1.91875   5
   5   1  11 1.42641 1.58023   5
   5   1  11 1.08364 2.64352   2
   5   1  11 -1.4867 2.45455   3
   6  -1  11 0.52177 3.15258   5
   6  -1  11 -0.8027 2.15052   2
   6   1  11 4.67533 3.64992   2
   6   1  11 2.81492 2.83569   2
   6   1  11 2.79308 2.90853   5
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   7  -2 -11 26.3028 8.45051   4
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   7   2 -11 20.5210 8.01767   4
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   6   2 -11 3.65725 4.97973   4
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   4  -2 -11 626.971 28.6348   4
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   4   2 -11 615.724 24.9709   5
   4   2 -11 640.304 28.9957   4
  -4   2  11 618.385 31.2388   2
  -4   2  11 637.565 27.7075   5
   3  -2 -11 6.51712 2.92966   5
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   2   2 -11 28.7636 6.28198   2
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   1   2  11 75.0626 3.06363   5
   1   2  11 71.6657 8.80517   2
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   1   2  11 80.4063 5.77723   4
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   2   2  11 119.586 7.54085   4
   2   2  11 124.739 9.61243   2
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   3  -2  11 167.316 11.9618   4
   3  -2  11 156.876 6.89980   2
   3   2  11 164.254 9.99386   4
   3   2  11 142.839 10.2664   2
   3   2  11 153.322 9.76560   3
   4  -2  11 16.4494 2.38008   2
   4  -2  11 12.2114 5.41889   4
   4  -2  11 18.0287 1.87799   5
   4  -2  11 21.5487 1.89882   5
   4  -2  11 20.2994 2.61865   2
   4   2  11 8.74486 4.26810   4
   4   2  11 19.8030 4.29437   3
   5  -2  11 17.8128 5.98579   4
   5  -2  11 23.9909 3.02128   2
   5  -2  11 25.6846 3.91230   5
   5  -2  11 25.5406 3.18312   2
   5   2  11 25.3587 6.31471   4
   5   2  11 24.6330 3.45441   5
   5   2  11 24.3113 5.48638   2
   5   2  11 29.1427 5.61860   2
   5   2  11 23.9145 4.46262   3
   6  -2  11 6.34297 2.22833   2
   6  -2  11 4.54806 2.09144   2
   6  -2  11 3.05532 3.01298   5
   6   2  11 10.2889 3.18329   5
   6   2  11 10.9044 4.47848   2
   6   2  11 4.50375 3.52778   2
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   3   3 -11 9.80344 3.23031   5
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   2   3 -11 98.1841 6.06938   5
   2   3 -11 133.770 11.2479   2
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   2  -3  11 152.070 6.86550   2
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   2   3  11 148.367 10.8233   3
   2   3  11 148.528 10.9952   2
   2   3  11 149.785 7.77358   4
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   3  -3  11 3.30523 2.80154   4
   3   3  11 -2.2976 1.54248   4
   3   3  11 0.54189 2.34137   3
   3   3  11 1.50652 2.35794   2
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   4  -3  11 7.02184 4.05855   4
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   4   3  11 -2.0141 2.43814   4
   4   3  11 4.90378 2.96021   3
   4   3  11 -2.8571 2.42609   2
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   5   3  11 32.9903 5.78683   3
   5   3  11 23.7355 3.27620   5
   5   3  11 37.2363 6.59323   2
   5   3  11 26.3309 6.16769   4
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   6   3  11 6.44917 5.07794   4
   6   3  11 2.71993 2.68444   5
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   5   4 -11 0.70660 4.22215   4
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   4   4 -11 1042.91 38.7779   4
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   4   4 -11 993.044 33.7362   5
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   2  -4  11 17.7375 2.47079   5
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   2   4  11 32.2190 5.82012   2
   2   4  11 23.9587 2.98980   4
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   3   4  11 142.627 11.2916   2
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   3   4  11 124.368 7.72321   4
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   4   4  11 0.85028 2.63928   4
   4   4  11 -0.3975 2.98299   2
   4   4  11 -4.3284 2.54609   3
   5   4  11 6.04002 3.88863   2
   5   4  11 -5.5798 3.96822   2
   5   4  11 -2.2123 3.23496   3
   5   4  11 5.42392 3.63212   4
   5   4  11 1.52500 1.79363   5
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   6   4  11 4.75240 4.75612   4
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   6   4  11 -5.1220 3.66912   3
   6   4  11 -4.6020 4.01655   2
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   5  -5 -11 25.2436 7.45222   4
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   5   5 -11 25.3164 7.94965   4
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   4  -5 -11 92.4030 9.50193   5
   4  -5 -11 118.456 12.2714   4
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   4   5 -11 101.666 11.9497   4
   4   5 -11 99.6431 10.3933   5
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   3  -5 -11 7.43292 3.54000   5
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   3  -5 -11 10.3586 4.23858   4
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   3   5 -11 7.98983 4.35062   2
   3   5 -11 16.4817 4.51005   5
   3   5 -11 10.5979 5.09986   4
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   2  -5 -11 19.3730 4.05831   4
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   2  -5 -11 15.1071 2.65486   5
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   2   5 -11 20.3286 3.37723   5
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   2   5 -11 22.1844 5.48167   2
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   2   5 -11 20.2890 5.55957   4
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   1   5 -11 64.0576 8.00138   4
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   1   5 -11 75.1990 7.87948   2
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   0   5  11 214.828 10.1905   5
   0   5 -11 217.878 14.5551   4
   0   5 -11 204.797 13.0426   2
   0   5  11 196.258 14.3953   3
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   2   5  11 635.526 14.2461   4
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   3  -5  11 16.9745 3.01930   5
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   2   9  11 8.34315 4.84863   2
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   3  -9  11 64.9772 6.43426   5
   3   9  11 68.2277 10.1957   2
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   3   9  11 52.8088 8.30878   3
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   4   9  11 5.15487 1.48175   4
   4   9  11 8.31428 4.73927   2
   4   9  11 3.48094 1.24942   4
   4   9  11 1.17804 3.41009   3
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   5  -9  11 110.931 10.0474   5
   5   9  11 114.340 7.55574   4
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   3   1 -12 16.2870 6.07122   2
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   4   2  13 6.75275 3.44870   4
   4   2  13 1.56923 2.71933   3
   4   2  13 3.15942 2.90063   2
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   5   2  13 -1.3081 2.70360   2
   5   2  13 4.93158 3.97531   4
   5   2  13 3.15203 1.61602   5
   5   2  13 -2.9948 2.69963   3
   5   2  13 2.73942 3.07511   2
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  -6   3  13 -2.2089 4.97557   2
  -6   3  13 7.16829 4.13416   5
   6   3 -13 -0.2240 4.29341   4
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  -5  -3  13 5.25391 5.18618   5
   5  -3 -13 11.8331 6.08250   4
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   5   3 -13 3.12149 5.66154   4
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  -5   3  13 10.0237 6.81635   2
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  -4  -3  13 89.3734 12.5643   3
  -4  -3  13 80.3944 10.6005   5
   4  -3 -13 76.7719 10.4441   4
  -4   3  13 73.9034 10.5848   5
   4   3 -13 84.1160 8.69881   5
  -4   3  13 71.9760 11.7554   2
  -3  -3  13 320.151 21.0351   2
   3  -3 -13 349.520 18.6086   4
  -3  -3  13 338.350 19.1574   5
   3  -3 -13 330.815 13.1839   5
  -3   3  13 305.102 21.5781   2
  -3   3  13 320.877 18.8274   5
   3   3 -13 347.182 20.2409   4
   3   3 -13 334.732 14.0097   5
  -2  -3  13 5.48200 3.96528   2
   2  -3 -13 3.50303 3.46518   4
   2   3 -13 -1.7808 3.26929   4
  -2   3  13 -2.9122 3.20093   2
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  -1  -3  13 10.4127 3.74254   5
   1  -3 -13 10.9928 5.10921   2
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   1   3 -13 21.7244 5.53274   4
   1   3 -13 8.94240 4.21739   2
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   1   3  13 3.44259 3.28396   3
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   2  -3  13 0.78993 2.56252   4
   2  -3  13 4.51313 1.61696   5
   2  -3  13 4.91234 1.47289   5
   2  -3  13 6.90441 2.16414   3
   2   3  13 3.09835 1.94777   4
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   2   3  13 5.93683 3.74554   3
   2   3  13 5.57204 3.60961   2
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   3  -3  13 19.2517 1.85490   5
   3  -3  13 10.8539 5.10219   4
   3  -3  13 18.2813 1.95731   3
   3  -3  13 16.7273 1.97982   3
   3   3  13 15.7832 4.75237   2
   3   3  13 22.0233 3.97295   4
   3   3  13 19.8798 4.79036   3
   4  -3  13 31.2329 3.04157   5
   4  -3  13 29.6703 7.55631   4
   4  -3  13 23.6481 3.03413   5
   4   3  13 25.5002 5.06616   4
   4   3  13 19.0957 4.86871   3
   4   3  13 33.7898 6.06469   2
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   5   3  13 5.96521 3.95724   2
   5   3  13 -0.6148 4.02787   4
   5   3  13 -0.7459 2.53198   3
   5   3  13 1.88926 3.52129   2
   5   3  13 1.27023 1.59823   5
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  -6   4  13 64.7134 9.83277   5
   6   4 -13 53.4413 10.6218   4
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   5  -4 -13 32.2256 8.48664   4
  -5   4  13 37.4227 8.72295   5
   5   4 -13 23.7905 7.67967   4
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   4   4 -13 3.78339 4.55289   4
   4   4 -13 5.92661 3.05174   5
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   3  -4 -13 3.57764 3.47731   4
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   3  -4 -13 0.40776 2.74141   5
   3   4 -13 2.77064 2.72134   5
  -3   4  13 0.50884 3.73278   5
   3   4 -13 4.83606 4.24925   4
  -3   4  13 6.39571 4.67837   2
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   2  -4 -13 158.586 11.0662   4
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   2   4 -13 137.560 12.8544   2
   2   4 -13 163.142 13.3613   4
  -2   4  13 137.071 13.4470   2
  -2   4  13 145.939 11.6153   5
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  -1   4  13 297.158 18.7710   2
   1   4 -13 275.926 16.3471   2
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   0   4 -13 61.5698 6.93909   2
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   1  -4  13 392.787 14.9812   2
   1  -4  13 388.430 17.2760   3
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   2  -4  13 3.36348 1.70907   5
   2  -4  13 2.13946 3.00022   4
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   2  -4  13 5.88568 1.52214   2
   2   4  13 6.51535 3.45685   3
   2   4  13 8.79147 3.57143   2
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   2   4  13 5.80826 1.74360   4
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   3  -4  13 11.3952 2.19535   5
   3  -4  13 12.7687 5.14564   4
   3   4  13 8.33753 2.36029   4
   3   4  13 7.90922 4.03691   2
   3   4  13 8.02332 4.41472   3
   4  -4  13 113.382 12.6357   4
   4  -4  13 96.8259 5.86837   5
   4  -4  13 99.9728 5.69304   5
   4   4  13 107.551 9.19979   4
   4   4  13 97.6629 9.60975   3
   4   4  13 96.2993 9.97190   2
   5   4  13 34.6088 6.81841   2
   5   4  13 35.2480 6.21518   3
   5   4  13 39.3436 3.67181   5
   5   4  13 29.9604 7.07727   2
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  -6   5  13 11.2560 6.30311   5
  -6   5  13 19.0762 7.24868   2
   6   5 -13 14.3820 5.59075   4
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   5  -5 -13 49.0984 9.46959   4
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   3  -5  13 36.5954 4.08154   5
   3   5  13 36.7789 7.20494   2
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   3   5  13 42.9263 6.79652   3
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   4  -5  13 79.5060 5.81858   5
   4   5  13 66.2157 8.53098   3
   4   5  13 73.8022 6.17903   4
   4   5  13 72.1391 9.14666   2
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   5   5  13 61.8735 8.15155   3
   5   5  13 65.5300 8.82152   2
   5   5  13 66.3058 7.04314   4
   5   5  13 71.0059 4.94722   5
   5   5  13 62.8148 9.86700   2
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   5   6 -13 26.3235 8.12512   4
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  -5   6  13 40.0903 8.90904   5
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   4  -6 -13 116.727 9.97602   5
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   4   6 -13 116.731 13.8079   4
  -4   6  13 116.387 14.7971   2
   4   6 -13 113.981 10.9932   5
  -4   6  13 102.469 11.7142   5
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   3  -6 -13 110.818 10.1599   4
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   3   6 -13 104.680 8.31822   5
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   2   6 -13 186.593 17.0303   2
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   3   6  13 3.70298 5.02074   3
   4   6  13 40.3949 4.03638   4
   4   6  13 58.2692 8.87399   2
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   5   7 -13 174.728 17.0846   4
  -5   7  13 163.176 18.2712   2
  -5   7  13 170.758 15.7746   5
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   4   7 -13 0.97770 4.28833   5
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  -2  -7  13 346.546 20.0541   3
   2  -7 -13 369.691 18.4589   4
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   2   7 -13 336.715 8.56742   5
  -2   7  13 334.991 18.1005   5
   2   7 -13 335.644 23.3830   2
   2   7 -13 356.905 21.2567   4
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   1   7 -13 10.8726 4.41065   2
   1   7 -13 9.94475 4.57469   4
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   0   7 -13 38.9146 5.40988   2
   0   7 -13 53.3058 8.34541   4
   0   7  13 36.4569 8.02114   3
   0   7  13 29.0831 7.45681   2
   0   7  13 30.3350 5.31170   5
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   1  -7  13 15.9260 5.10022   4
   1  -7  13 6.40450 2.61994   3
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   3   2  14 36.7489 5.71480   2
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   4   2  14 197.685 12.4214   2
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   3   3  14 30.0340 6.07804   3
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   3   3  14 29.0431 4.13119   4
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   4   3  14 89.7662 7.75087   4
   4   3  14 89.0983 8.39975   3
   4   3  14 90.5115 8.89080   2
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   3   6  14 99.1598 11.0432   3
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   3   7 -14 12.9716 5.50404   4
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   2   7 -14 78.3896 10.9694   4
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   1   1  18 10.2779 4.07971   2
   2  -1  18 24.3621 4.15935   5
   2   1  18 1.56483 4.24796   2
   2   1  18 13.8048 3.65720   5
   3  -2 -18 -0.7268 3.91032   4
  -3  -2  18 -2.3431 4.86935   5
  -3  -2  18 -2.4522 4.50435   2
   3   2 -18 -8.0008 4.12350   4
  -3   2  18 -3.9581 4.10621   5
  -3   2  18 -0.7488 4.72121   2
  -2  -2  18 38.8458 8.65219   2
   2  -2 -18 46.9977 7.75986   4
  -2  -2  18 59.1782 8.94927   5
  -2   2  18 42.9446 7.88774   5
   2   2 -18 46.4745 8.44476   4
  -2   2  18 39.6117 9.88312   2
  -1  -2  18 16.0282 5.32118   5
   1  -2 -18 14.0151 4.97299   4
  -1  -2  18 12.0646 5.50606   2
  -1   2  18 5.74632 5.12998   2
  -1   2  18 16.0099 5.13885   5
   1   2 -18 10.3286 5.01624   4
   0  -2  18 -4.8947 2.64693   5
   0  -2  18 1.38142 2.70365   2
   0   2 -18 -0.3817 3.94751   4
   0   2  18 -1.0998 2.79694   5
   0   2  18 5.88236 3.35319   2
   0   2 -18 -0.5431 4.82295   2
   1  -2  18 -0.7870 2.58670   5
   1  -2  18 -1.3091 3.33099   2
   1  -2  18 -0.8311 3.86532   3
   1   2  18 -0.2933 3.27537   2
  -1   2 -18 5.88857 3.94243   4
   1   2  18 6.09113 2.58997   5
   2  -2  18 2.27163 2.18080   2
   2  -2  18 2.75020 2.68941   5
   2   2  18 8.60100 3.93648   2
   2   2  18 7.58747 2.99847   5
  -3  -3  18 71.2024 12.2809   2
  -3  -3  18 67.8035 10.0576   5
   3  -3 -18 72.3303 9.39480   4
  -3  -3  18 70.0009 10.6883   3
  -3   3  18 70.4808 10.1564   5
  -3   3  18 68.9563 12.9379   2
   3   3 -18 74.6822 10.1678   4
  -2  -3  18 15.2540 6.09212   5
  -2  -3  18 12.2592 6.77937   3
  -2  -3  18 21.2721 6.78613   2
   2  -3 -18 20.1707 6.08693   4
  -2   3  18 20.9129 6.69900   2
  -2   3  18 20.2478 6.21032   5
   2   3 -18 19.7756 5.92833   4
  -1  -3  18 103.979 10.6119   5
   1  -3 -18 114.162 9.02461   4
  -1  -3  18 116.893 12.0518   2
  -1   3  18 97.6673 10.2660   5
   1   3 -18 119.143 11.9023   4
  -1   3  18 111.381 12.9750   2
   0  -3 -18 -0.3772 2.26346   4
   0  -3  18 -1.9767 3.05978   5
   0  -3  18 -2.7433 2.97405   2
   0   3 -18 1.06057 4.23886   4
   0   3  18 1.06622 3.39662   2
   0   3 -18 -8.2484 5.05778   2
   0   3  18 2.57353 3.10605   5
   1  -3  18 14.5631 4.72278   2
   1  -3  18 13.7381 6.42433   4
   1  -3  18 19.7235 5.33007   3
   1  -3  18 17.9445 5.01497   5
   1   3  18 18.0186 6.36325   2
  -1   3 -18 19.5538 5.84815   4
   1   3  18 22.7254 4.38753   5
   2  -3  18 2.11181 2.81639   5
   2  -3  18 -1.9868 2.48131   3
   2   3  18 3.41600 2.43171   5
   2   3  18 -3.7419 2.99791   2
   3  -4 -18 21.4297 6.35142   4
  -3  -4  18 21.1496 8.26176   3
  -3  -4  18 20.9090 7.52510   2
  -3  -4  18 22.4912 6.41764   5
  -3   4  18 21.2851 8.06178   2
  -3   4  18 21.9814 7.01045   5
   3   4 -18 17.0136 7.37776   4
  -2  -4  18 -2.1636 4.13609   2
  -2  -4  18 1.54224 4.04649   5
   2  -4 -18 13.6766 4.39583   4
  -2  -4  18 0.98266 4.41838   3
  -2   4  18 2.90603 4.26241   5
   2   4 -18 -8.6852 3.79021   4
  -2   4  18 -2.2832 3.87950   2
  -1  -4  18 3.90191 3.82590   5
  -1  -4  18 3.96062 3.78997   2
  -1  -4  18 -1.0854 3.54977   3
  -1   4  18 -6.8751 3.58023   2
   1   4 -18 11.3422 4.56025   4
  -1   4  18 5.00715 3.68596   5
   0  -4  18 36.9394 6.31375   2
   0  -4  18 29.2708 6.00726   5
   0  -4  18 30.6440 6.87914   3
   0  -4 -18 34.0325 3.71135   4
   0   4 -18 24.3046 7.65706   2
   0   4 -18 36.1573 7.43853   4
   0   4  18 30.5443 6.07737   5
   0   4  18 28.0422 7.90883   2
   1  -4  18 51.8105 6.89000   3
   1  -4  18 47.5653 6.78730   5
  -1   4 -18 56.6321 9.01756   4
   1   4  18 49.4672 7.89829   2
   1   4  18 51.1175 6.02926   5
   2  -4  18 -0.5749 2.01397   3
   2  -4  18 -2.6959 2.45431   5
  -2   4 -18 -2.1723 3.70770   4
   2   4  18 7.44479 2.58010   5
   2   4  18 2.26429 4.39830   2
  -3  -5  18 9.14721 4.83185   3
  -3  -5  18 2.18816 4.12028   5
   3  -5 -18 -8.1589 3.34525   4
  -3  -5  18 -4.1752 3.83717   2
  -3   5  18 3.53388 4.11533   5
  -3   5  18 4.55177 5.24580   2
   3   5 -18 0.94263 4.74980   4
   2  -5 -18 11.4903 4.46215   4
  -2  -5  18 5.29144 6.84598   3
  -2  -5  18 19.1806 5.33419   2
  -2  -5  18 16.4561 6.77086   5
  -2   5  18 15.1424 6.38810   5
  -2   5  18 10.9953 6.87617   2
   2   5 -18 16.2315 5.81775   4
  -1  -5  18 4.94488 3.72402   3
   1  -5 -18 -1.3624 2.45425   4
  -1  -5  18 3.12728 2.96639   2
  -1  -5  18 3.17450 3.35143   5
  -1   5  18 3.77922 3.62266   5
  -1   5  18 -6.9156 3.19863   2
   1   5 -18 -0.7416 3.34140   4
   0  -5  18 26.2045 6.82161   3
   0  -5  18 17.6135 6.43508   5
   0  -5  18 25.7505 5.52624   2
   0   5 -18 13.1054 8.68069   2
   0   5  18 27.1145 6.10530   5
   0   5 -18 17.4491 6.63985   4
   0   5  18 25.7892 6.65498   2
   1  -5  18 87.2156 6.70931   2
   1  -5  18 90.3073 8.16178   5
   1   5  18 69.1845 7.41411   5
  -1   5 -18 94.5113 10.6963   4
   2  -5  18 23.0672 4.28622   3
   2  -5  18 22.8514 5.30446   5
  -2   5 -18 26.3943 7.08023   4
   2   5  18 32.7712 4.68874   5
   2   5  18 18.1297 6.65050   2
  -3  -6  18 5.86731 4.83143   5
   3  -6 -18 -2.7619 3.08982   4
  -3  -6  18 1.31105 4.80216   3
  -3  -6  18 -9.8048 3.36467   2
   3   6 -18 -5.3452 3.51068   4
  -3   6  18 -2.2941 4.71256   2
  -3   6  18 -1.8048 3.86244   5
  -2  -6  18 5.16902 4.54777   2
   2  -6 -18 -1.8652 2.91037   4
  -2  -6  18 5.38921 3.58857   5
  -2  -6  18 10.5532 5.33483   3
   2   6 -18 10.2872 4.69356   4
  -2   6  18 8.96348 5.61033   2
  -2   6  18 -2.3108 4.14278   5
  -1  -6  18 22.2581 6.61362   3
  -1  -6  18 9.52361 5.48847   2
  -1  -6  18 7.23045 5.13420   5
   1  -6 -18 9.64578 2.63801   4
  -1   6  18 -6.0721 4.62143   2
  -1   6  18 13.3228 4.72637   5
   1   6 -18 10.9271 5.76049   4
   1   6 -18 12.1574 6.04980   2
   0  -6  18 29.5506 6.63884   2
   0  -6  18 40.4817 7.00568   3
   0  -6  18 53.4365 8.68825   5
   0   6 -18 39.7427 10.2498   4
   0   6  18 38.5699 7.44778   5
   0   6  18 42.9925 9.38839   2
   1  -6  18 2.41966 3.17077   3
   1  -6  18 4.61462 3.54573   5
   1   6  18 -0.5897 2.79269   5
   1   6  18 0.58512 4.70034   2
  -1   6 -18 3.01790 4.91203   4
   2  -6  18 0.36622 2.87638   5
  -3  -7  18 6.54622 4.26016   2
  -3  -7  18 0.62455 5.68000   3
  -3  -7  18 -0.9055 3.17615   5
   3  -7 -18 0.58046 4.64889   4
   3   7 -18 -0.4463 4.55141   4
  -3   7  18 5.24645 4.32890   5
  -3   7  18 0.71088 6.07186   2
  -2  -7  18 17.6350 7.06510   3
  -2  -7  18 6.63126 5.62989   5
  -2  -7  18 15.3964 6.03395   2
  -2   7  18 7.00533 5.10185   5
   2   7 -18 4.41731 5.72717   4
  -2   7  18 18.3998 6.72935   2
  -1  -7  18 5.34889 5.38049   3
  -1  -7  18 3.54704 4.74679   2
  -1  -7  18 10.3379 5.72387   5
   1   7 -18 10.5760 5.89387   4
  -1   7  18 2.65401 5.22758   5
  -1   7  18 9.95311 6.60641   2
   0  -7  18 0.50475 5.16164   3
   0  -7  18 5.64551 3.82797   5
   0  -7  18 -2.2571 3.37243   3
   0   7 -18 2.72263 6.22655   4
   0   7  18 5.40536 3.48893   5
   0   7  18 6.72727 5.43346   2
   1  -7  18 7.57563 3.34178   5
   1  -7  18 2.42722 3.18230   3
  -1   7 -18 8.16753 4.73005   4
   1   7  18 1.28678 4.58671   5
   1   7  18 -4.1338 4.08033   2
  -3  -8  18 -2.2679 3.77861   3
  -3  -8  18 -1.3902 3.58778   2
   3  -8 -18 -2.9151 3.30990   4
  -3   8  18 0.69795 3.90459   5
   3   8 -18 3.32323 4.28117   4
  -2  -8  18 29.6234 7.16214   3
  -2  -8  18 29.2671 7.73692   2
  -2  -8  18 12.0286 6.38524   5
   2  -8 -18 26.4798 4.82781   4
  -2   8  18 29.4047 7.11908   5
   2   8 -18 19.1642 8.24240   4
  -2   8  18 27.5783 7.93927   2
  -1  -8  18 5.08268 4.48681   5
  -1   8  18 3.15449 3.99734   5
  -1   8  18 4.70561 6.10051   2
   1   8 -18 -3.3805 4.24082   4
   0  -8  18 -2.4995 3.04513   5
   0  -8  18 3.53805 3.10836   3
   0   8 -18 0.96631 5.18497   4
   0   8  18 0.62019 6.37573   2
   1  -8  18 0.58293 3.16153   3
   1   8  18 4.92554 4.67365   2
  -1   8 -18 7.15564 6.54699   4
   1   8  18 4.84271 3.20053   5
  -2  -9  18 -1.1136 4.31049   5
  -2  -9  18 2.57315 4.59663   3
  -2   9  18 -2.0975 3.16881   5
  -2   9  18 3.12300 5.84104   2
  -1  -9  18 1.13136 3.87300   5
  -1   9  18 6.01920 3.57037   5
  -1   9  18 12.9685 5.34970   2
   1   9 -18 6.73477 4.66300   4
   0  -9  18 3.04590 3.78116   3
   0  -9  18 1.20885 4.20202   5
   0   9  18 -1.3946 3.28001   5
   0   9  18 15.4558 6.35823   2
   0   9 -18 2.75809 4.84100   4
   1  -9  18 11.8677 3.98946   5
   1   9  18 18.2553 4.61467   5
  -1   9 -18 10.8719 6.39256   4
   1   9  18 11.2390 5.48414   2
  -2 -10  18 1.75693 4.38298   3
  -2 -10  18 10.9121 5.62586   5
   2  10 -18 7.80182 6.07138   4
  -2  10  18 3.28794 4.16313   5
  -2  10  18 0.96624 6.03348   2
  -1 -10  18 1.83849 3.50868   5
  -1  10  18 -2.7252 2.65351   5
   1  10 -18 4.34942 5.22277   4
  -1  10  18 -10.727 5.08058   2
   0 -10  18 30.5547 6.16730   5
   0 -10  18 36.9100 6.04951   3
   0  10  18 20.6643 7.04399   2
   0  10 -18 27.7516 8.53274   4
   0  10  18 23.4525 5.61376   5
  -1 -11  18 5.51399 4.10091   5
  -1  11  18 4.78074 4.77096   2
  -1  11  18 0.46187 4.28761   5
   1  11 -18 -1.5220 4.26758   4
  -2   0  19 0.45464 4.17975   5
   2   0 -19 -2.0926 2.99105   4
  -2   0  19 -5.5260 4.24753   2
  -1   0  19 3.42152 5.39184   2
   1   0 -19 6.00375 3.59736   4
  -1   0  19 1.86583 4.59454   5
   0   0 -19 -1.6894 3.60999   4
   0   0  19 -0.1750 3.51366   2
   1   0  19 2.66195 3.00059   5
   2  -1 -19 -1.3342 2.67971   4
  -2  -1  19 6.39567 4.54416   5
  -2  -1  19 0.84528 3.82234   2
  -2   1  19 -8.0731 3.35365   2
   2   1 -19 1.77995 3.45722   4
  -2   1  19 1.43780 4.62197   5
  -1  -1  19 44.9332 6.94098   5
   1  -1 -19 44.5003 7.97864   4
  -1  -1  19 34.7251 8.86216   2
   1   1 -19 43.9912 8.17566   4
  -1   1  19 46.5418 7.94451   5
   0  -1  19 -3.6296 3.69975   2
   0  -1 -19 3.21044 4.24000   4
   0   1  19 7.70434 4.10724   2
   0   1 -19 5.82601 3.78809   4
   2  -2 -19 37.2897 8.12481   4
  -2  -2  19 34.2347 7.38502   2
  -2  -2  19 34.8637 7.83636   5
   2   2 -19 24.7361 7.06177   4
  -2   2  19 22.9101 7.91894   5
  -2   2  19 35.2884 8.63040   2
   1  -2 -19 50.8528 6.72524   4
  -1  -2  19 60.1567 9.70134   2
  -1  -2  19 48.6264 7.73405   5
   1   2 -19 48.9141 8.37102   4
  -1   2  19 52.0511 9.03625   5
  -1   2  19 49.8445 9.06356   2
   0  -2  19 6.98187 3.88518   2
   0   2  19 -0.1268 3.18465   2
   0   2 -19 6.42758 3.76599   4
  -2  -3  19 -1.5877 4.22114   5
  -2  -3  19 5.50486 4.52624   3
  -2  -3  19 -4.5823 3.35177   2
   2  -3 -19 -0.6604 3.31075   4
   2   3 -19 -1.7048 4.92380   4
  -2   3  19 0.98801 5.56692   5
  -2   3  19 -2.5607 4.45143   2
  -1  -3  19 8.16818 4.33154   2
  -1  -3  19 0.77772 4.58757   5
  -1  -3  19 -8.1292 3.54808   3
   1  -3 -19 -4.8143 2.95108   4
  -1   3  19 -1.9278 4.00663   5
   1   3 -19 2.67608 3.48557   4
  -1   3  19 6.69934 4.25502   2
   0  -3  19 11.5400 4.07840   5
   0  -3  19 7.08359 5.25048   3
   0   3 -19 16.8041 5.94646   4
   0   3  19 9.06112 5.37104   2
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  -2  -4  19 72.0494 9.50527   5
  -2  -4  19 75.1657 9.49011   2
   2   4 -19 75.1087 11.3844   4
  -2   4  19 77.4085 12.1104   2
  -2   4  19 83.0571 9.63869   5
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  -1  -4  19 -0.0255 3.06318   5
  -1  -4  19 -2.8530 4.19126   3
  -1   4  19 1.15325 4.42462   5
  -1   4  19 2.92458 4.94086   2
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   0  -4  19 -1.3977 3.01552   2
   0  -4  19 4.26852 3.49590   5
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   0   4 -19 4.31904 4.92428   4
   0   4  19 7.18943 4.95791   2
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  -1  -5  19 -4.6232 2.87028   2
  -1  -5  19 1.94171 4.40497   5
  -1   5  19 -0.9477 3.29395   5
   1   5 -19 0.74991 5.06464   4
  -1   5  19 -2.4553 4.46852   2
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   0  -5  19 20.4722 5.29569   5
   0   5 -19 23.8500 6.85516   4
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  -1  -6  19 2.68724 3.10582   5
  -1  -6  19 3.90961 4.08040   2
  -1   6  19 0.17728 4.56621   5
  -1   6  19 1.16454 4.18345   2
   1   6 -19 -3.9427 3.74853   4
   0   0   0    0.00    0.00   0
;
_shelx_hkl_checksum              21664
_shelx_res_file
;
TITL m22281 : space group P21/n
    m22281.res
    created by SHELXL-2019/2 at 12:42:13 on 28-Mar-2023
CELL  0.71073   6.7576  22.9081  14.9477   90.000   95.359   90.000
ZERR        4   0.0002   0.0006   0.0003    0.000    0.001    0.000
LATT  1
SYMM 1/2-X, 1/2+Y, 1/2-Z
SFAC C H N O CL
UNIT 108 120 4 12 4
TEMP -93
SIZE 0.22 0.16 0.12
REM COLR colourless
REM FORM block
L.S. 10
BOND $H
LIST 4
ACTA
CONF
REM Instructions for potential hydrogen bonds:
EQIV $1 x+1, y, z
HTAB O1 O3_$1
HTAB O1 O3'_$1
HTAB N1 O2
HTAB N1 O2'
HTAB N1 O3'
HTAB C19 O3_$1
HTAB C19 O3'_$1
EQIV $2 -x+1, -y+1, -z+1
HTAB C20 O2_$2
HTAB C20 O2'_$2
HTAB
REM Conformation-defining torsion angles:
RTAB tors C6 C7 C8 C9
RTAB tors C6 C7' C8' C9
RTAB tors C15 C16 C17 C18
RTAB tors C16 C17 C18 N1
REM
REM Anion geometry:
MPLA C22 C23 C24 C25 C26 C27 Cl1
MPLA C22 C21 O2 O3
MPLA C22 C23' C24' C25' C26' C27' Cl1'
MPLA C22 C21' O2' O3'
REM
FMAP 2
PLAN 20
WGHT    0.034400    1.465700
EXTI    0.005473
FVAR       0.74606   0.58508   0.95996
O1    4    1.087660    0.713742    0.680053    11.00000    0.02722    0.03741 =
         0.05257   -0.00643    0.00732   -0.00168
H1O   2    1.104545    0.678695    0.662447    11.00000    0.05390
N1    3    0.601041    0.610286    0.467790    11.00000    0.03637    0.02516 =
         0.02716   -0.00233    0.00056   -0.00076
H1N   2    0.559594    0.593078    0.524801    11.00000    0.04787
C1    1    0.856593    0.790262    0.688915    11.00000    0.03783    0.02940 =
         0.03260   -0.00756   -0.00774   -0.00315
C2    1    1.002563    0.823050    0.653828    11.00000    0.06524    0.03913 =
         0.03297   -0.00063    0.01439   -0.00156
AFIX  43
H2    2    1.119208    0.804054    0.637893    11.00000   -1.20000
AFIX   0
C3    1    0.983898    0.883239    0.641075    11.00000    0.09344    0.04075 =
         0.04371    0.00957    0.02169   -0.00889
AFIX  43
H3    2    1.087910    0.904653    0.617711    11.00000   -1.20000
AFIX   0
C4    1    0.816300    0.911338    0.662154    11.00000    0.08813    0.03064 =
         0.03521   -0.00065   -0.00347    0.00434
AFIX  43
H4    2    0.802576    0.952324    0.654118    11.00000   -1.20000
AFIX   0
C5    1    0.670349    0.879678    0.694675    11.00000    0.05698    0.03290 =
         0.06368   -0.01061   -0.01265    0.00928
AFIX  43
H5    2    0.552625    0.899131    0.708215    11.00000   -1.20000
AFIX   0
SAME 0.010 C6 C7' C8' C9
SIMU 0.010 C6 > C8'
EADP C7 C7'
EADP C8 C8'
C6    1    0.685179    0.819680    0.709204    11.00000    0.03807    0.03022 =
         0.08626   -0.00951   -0.00403   -0.00017
PART 1
C7    1    0.503667    0.788412    0.726071    21.00000    0.03035    0.04223 =
         0.05008   -0.00133   -0.00246    0.00578
AFIX  23
H7A   2    0.479064    0.755636    0.683309    21.00000   -1.20000
H7B   2    0.387589    0.814958    0.719918    21.00000   -1.20000
AFIX   0
C8    1    0.540082    0.765850    0.821958    21.00000    0.02819    0.06341 =
         0.04717   -0.00208    0.00835    0.00130
AFIX  23
H8A   2    0.413604    0.748711    0.837966    21.00000   -1.20000
H8B   2    0.567508    0.800205    0.861352    21.00000   -1.20000
AFIX   0
PART 0
C9    1    0.712855    0.718598    0.848663    11.00000    0.03332    0.08938 =
         0.03750   -0.00343    0.00045    0.00300
PART 2
C7'   1    0.536876    0.797592    0.785143   -21.00000    0.03035    0.04223 =
         0.05008   -0.00133   -0.00246    0.00578
AFIX  23
H7'A  2    0.584189    0.816270    0.842941   -21.00000   -1.20000
H7'B  2    0.402748    0.813447    0.767179   -21.00000   -1.20000
AFIX   0
C8'   1    0.513341    0.732666    0.803174   -21.00000    0.02819    0.06341 =
         0.04717   -0.00208    0.00835    0.00130
AFIX  23
H8'A  2    0.406685    0.725218    0.842848   -21.00000   -1.20000
H8'B  2    0.485756    0.710332    0.746685   -21.00000   -1.20000
AFIX   0
PART 0
C10   1    0.716641    0.700713    0.937944    11.00000    0.05069    0.09967 =
         0.03889   -0.00664    0.00823    0.00423
AFIX  43
H10   2    0.604666    0.708795    0.969898    11.00000   -1.20000
AFIX   0
C11   1    0.874813    0.672042    0.981332    11.00000    0.07449    0.05628 =
         0.03490   -0.00706    0.00313    0.00396
AFIX  43
H11   2    0.872768    0.660390    1.042233    11.00000   -1.20000
AFIX   0
C12   1    1.035896    0.660442    0.935548    11.00000    0.07157    0.04379 =
         0.04563   -0.00115   -0.00535    0.02194
AFIX  43
H12   2    1.148164    0.640996    0.964731    11.00000   -1.20000
AFIX   0
C13   1    1.035299    0.677133    0.846207    11.00000    0.05109    0.03405 =
         0.04298   -0.00461    0.00379    0.01388
AFIX  43
H13   2    1.147668    0.668280    0.814937    11.00000   -1.20000
AFIX   0
C14   1    0.875719    0.706357    0.801063    11.00000    0.03309    0.03001 =
         0.03446   -0.00966   -0.00131   -0.00538
C15   1    0.890741    0.723848    0.701893    11.00000    0.02509    0.02841 =
         0.03774   -0.00503    0.00051   -0.00079
C16   1    0.749369    0.686669    0.637497    11.00000    0.03182    0.02487 =
         0.03373   -0.00407    0.00208   -0.00241
AFIX  23
H16A  2    0.781845    0.644864    0.647117    11.00000   -1.20000
H16B  2    0.610943    0.692780    0.652065    11.00000   -1.20000
AFIX   0
C17   1    0.763617    0.701772    0.538911    11.00000    0.05089    0.02827 =
         0.03351   -0.00392    0.00317   -0.00879
AFIX  23
H17A  2    0.758925    0.744767    0.532353    11.00000   -1.20000
H17B  2    0.894424    0.688522    0.521902    11.00000   -1.20000
AFIX   0
C18   1    0.602406    0.675442    0.473529    11.00000    0.05429    0.02485 =
         0.03154   -0.00096   -0.00305    0.00087
AFIX  23
H18A  2    0.471694    0.688457    0.490970    11.00000   -1.20000
H18B  2    0.617271    0.691320    0.412923    11.00000   -1.20000
AFIX   0
C19   1    0.794588    0.584831    0.449688    11.00000    0.04421    0.04201 =
         0.04411   -0.00553    0.01446    0.00379
AFIX 137
H19A  2    0.782727    0.542242    0.446047    11.00000   -1.50000
H19B  2    0.895551    0.595334    0.498382    11.00000   -1.50000
H19C  2    0.833659    0.600058    0.392648    11.00000   -1.50000
AFIX   0
C20   1    0.441817    0.591292    0.398535    11.00000    0.05618    0.04078 =
         0.03943   -0.00582   -0.01461   -0.00627
AFIX 137
H20A  2    0.466060    0.608124    0.340281    11.00000   -1.50000
H20B  2    0.312640    0.604628    0.415442    11.00000   -1.50000
H20C  2    0.441801    0.548605    0.394234    11.00000   -1.50000
AFIX   0
REM anion
SAME 0.01 CL1' > C27'
SIMU 0.010 CL1 > C27'
EADP O3 O3'
EADP O2 O2'
EADP C21 C21'
PART 1
CL1   5   -0.057073    0.522146    0.690529    31.00000    0.03670    0.04284 =
         0.04929    0.00530    0.00364   -0.00714
O2    4    0.487508    0.556696    0.607974    31.00000    0.03674    0.03291 =
         0.04010    0.00078    0.01386    0.00592
O3    4    0.221831    0.614820    0.604653    31.00000    0.04013    0.04457 =
         0.03774    0.00742    0.00755    0.01273
C21   1    0.340747    0.579045    0.641903    31.00000    0.02900    0.02620 =
         0.03334   -0.00283    0.00474   -0.00137
C22   1    0.319213    0.561049    0.737779    31.00000    0.03258    0.02642 =
         0.03227   -0.00167    0.00521    0.00673
C23   1    0.149463    0.535536    0.766100    31.00000    0.03913    0.02575 =
         0.03344   -0.00074    0.00697    0.00485
C24   1    0.138523    0.520148    0.855231    31.00000    0.05689    0.03320 =
         0.03982    0.00219    0.01667    0.00223
AFIX  43
H24   2    0.022568    0.501828    0.873292    31.00000   -1.20000
AFIX   0
C25   1    0.297602    0.531691    0.917424    31.00000    0.07781    0.04203 =
         0.03017    0.00265    0.00591    0.01024
AFIX  43
H25   2    0.290500    0.521547    0.978665    31.00000   -1.20000
AFIX   0
C26   1    0.466710    0.557821    0.891406    31.00000    0.05946    0.04732 =
         0.03819   -0.00391   -0.00783    0.00886
AFIX  43
H26   2    0.575063    0.566423    0.934541    31.00000   -1.20000
AFIX   0
C27   1    0.476973    0.571394    0.801750    31.00000    0.03902    0.04295 =
         0.04233   -0.00118   -0.00029    0.00506
AFIX  43
H27   2    0.595325    0.588246    0.783629    31.00000   -1.20000
AFIX   0
PART 2
FLAT 0.010 C21' Cl1' C22' c23' c24' c25' c26'
CL1'  5    0.563756    0.576660    0.817339   -31.00000    0.05937    0.05101 =
         0.04991    0.00291    0.00636    0.00365
O2'   4    0.488022    0.561060    0.621673   -31.00000    0.03674    0.03291 =
         0.04010    0.00078    0.01386    0.00592
O3'   4    0.224834    0.617947    0.585540   -31.00000    0.04013    0.04457 =
         0.03774    0.00742    0.00755    0.01273
C21'  1    0.317044    0.580456    0.632963   -31.00000    0.02900    0.02620 =
         0.03334   -0.00283    0.00474   -0.00137
C22'  1    0.225853    0.555689    0.713281   -31.00000    0.03813    0.02964 =
         0.03847   -0.00295    0.00467    0.00365
C23'  1    0.321834    0.551721    0.799109   -31.00000    0.05100    0.03690 =
         0.03801    0.00009    0.00398    0.00519
C24'  1    0.230387    0.528488    0.870572   -31.00000    0.05591    0.03670 =
         0.03493    0.00213    0.00613    0.00451
AFIX  43
H24'  2    0.299591    0.526275    0.928789   -31.00000   -1.20000
AFIX   0
C25'  1    0.037465    0.508695    0.855566   -31.00000    0.05637    0.03328 =
         0.03375    0.00263    0.00938    0.00394
AFIX  43
H25'  2   -0.026900    0.492706    0.903833   -31.00000   -1.20000
AFIX   0
C26'  1   -0.062703    0.511934    0.771062   -31.00000    0.04913    0.03274 =
         0.03592    0.00165    0.01024    0.00233
AFIX  43
H26'  2   -0.198774    0.501143    0.761498   -31.00000   -1.20000
AFIX   0
C27'  1    0.038790    0.531221    0.700353   -31.00000    0.04288    0.03463 =
         0.04212   -0.00106    0.00619    0.00287
AFIX  43
H27'  2   -0.022587    0.527469    0.640815   -31.00000   -1.20000
PART 0
AFIX   0
HKLF 4
REM  m22281 : space group P21/n
REM wR2 = 0.1102, GooF = S = 1.028, Restrained GooF = 1.123 for all data
REM R1 = 0.0447 for 4188 Fo > 4sig(Fo) and 0.0607 for all 5279 data
REM 380 parameters refined using 404 restraints
END
WGHT      0.0344      1.4657
REM Instructions for potential hydrogen bonds
HTAB O1 O3_$1
HTAB O1 O3'_$1
HTAB N1 O2
HTAB N1 O2'
HTAB N1 O3'
HTAB C19 O3_$1
HTAB C19 O3'_$1
HTAB C20 O2_$2
HTAB C20 O2'_$2
REM Highest difference peak  0.633,  deepest hole -0.612,  1-sigma level  0.041
Q1    1   1.0949  0.8688  0.6534  11.00000  0.05    0.26
Q2    1   0.7443  0.8100  0.6834  11.00000  0.05    0.24
Q3    1   0.6726  0.6942  0.8647  11.00000  0.05    0.22
Q4    1   0.6684  0.8110  0.7541  11.00000  0.05    0.22
Q5    1   0.8593  0.7575  0.6976  11.00000  0.05    0.22
Q6    1   0.9280  0.9043  0.6636  11.00000  0.05    0.21
Q7    1   1.1071  0.8071  0.6610  11.00000  0.05    0.21
Q8    1   0.5964  0.6453  0.4750  11.00000  0.05    0.20
Q9    1   0.9762  0.6783  0.9656  11.00000  0.05    0.20
Q10   1   0.3123  0.5715  0.6961  11.00000  0.05    0.18
Q11   1   0.8142  0.7079  0.6655  11.00000  0.05    0.18
Q12   1   0.5098  0.7650  0.7774  11.00000  0.05    0.18
Q13   1   0.8779  0.7114  0.7522  11.00000  0.05    0.18
Q14   1   0.9291  0.8666  0.6238  11.00000  0.05    0.18
Q15   1   0.6360  0.8103  0.6874  11.00000  0.05    0.17
Q16   1   0.7675  0.8792  0.6727  11.00000  0.05    0.17
Q17   1   0.6284  0.8298  0.6861  11.00000  0.05    0.16
Q18   1   0.2188  0.5617  0.7559  11.00000  0.05    0.16
Q19   1   0.1859  0.5139  0.7982  11.00000  0.05    0.16
Q20   1   0.6537  0.7375  0.8397  11.00000  0.05    0.16
;
_shelx_res_checksum              99832
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
O O1 1.08766(18) 0.71374(6) 0.68005(9) 0.0388(3) Uani d 1 . .
H H1O 1.105(3) 0.6787(11) 0.6624(15) 0.054(7) Uiso d 1 . .
N N1 0.6010(2) 0.61029(6) 0.46779(9) 0.0297(3) Uani d 1 . .
H H1N 0.560(3) 0.5931(9) 0.5248(14) 0.048(6) Uiso d 1 . .
C C1 0.8566(3) 0.79026(7) 0.68891(11) 0.0340(4) Uani d 1 . .
C C2 1.0026(3) 0.82305(8) 0.65383(12) 0.0452(5) Uani d 1 . .
H H2 1.119208 0.804054 0.637893 0.054 Uiso calc 1 . .
C C3 0.9839(4) 0.88324(9) 0.64107(14) 0.0583(6) Uani d 1 . .
H H3 1.087910 0.904653 0.617711 0.070 Uiso calc 1 . .
C C4 0.8163(4) 0.91134(9) 0.66215(13) 0.0519(6) Uani d 1 . .
H H4 0.802576 0.952324 0.654118 0.062 Uiso calc 1 . .
C C5 0.6703(3) 0.87968(9) 0.69468(15) 0.0523(5) Uani d 1 . .
H H5 0.552625 0.899131 0.708215 0.063 Uiso calc 1 . .
C C6 0.6852(3) 0.81968(8) 0.70920(17) 0.0521(5) Uani d 1 . .
C C7 0.5037(4) 0.78841(14) 0.7261(2) 0.0413(6) Uani d 0.585(3) A 1
H H7A 0.479064 0.755636 0.683309 0.050 Uiso calc 0.585(3) A 1
H H7B 0.387589 0.814958 0.719918 0.050 Uiso calc 0.585(3) A 1
C C8 0.5401(5) 0.76585(19) 0.8220(2) 0.0460(7) Uani d 0.585(3) A 1
H H8A 0.413604 0.748711 0.837966 0.055 Uiso calc 0.585(3) A 1
H H8B 0.567508 0.800205 0.861352 0.055 Uiso calc 0.585(3) A 1
C C9 0.7129(3) 0.71860(11) 0.84866(13) 0.0536(6) Uani d 1 . .
C C7' 0.5369(7) 0.7976(2) 0.7851(4) 0.0413(6) Uani d 0.415(3) A 2
H H7'A 0.584189 0.816270 0.842941 0.050 Uiso calc 0.415(3) A 2
H H7'B 0.402748 0.813447 0.767179 0.050 Uiso calc 0.415(3) A 2
C C8' 0.5133(6) 0.7327(2) 0.8032(4) 0.0460(7) Uani d 0.415(3) A 2
H H8'A 0.406685 0.725218 0.842848 0.055 Uiso calc 0.415(3) A 2
H H8'B 0.485756 0.710332 0.746685 0.055 Uiso calc 0.415(3) A 2
C C10 0.7166(4) 0.70071(12) 0.93794(14) 0.0628(7) Uani d 1 . .
H H10 0.604666 0.708795 0.969898 0.075 Uiso calc 1 . .
C C11 0.8748(4) 0.67204(10) 0.98133(14) 0.0553(6) Uani d 1 . .
H H11 0.872768 0.660390 1.042233 0.066 Uiso calc 1 . .
C C12 1.0359(4) 0.66044(9) 0.93555(14) 0.0543(6) Uani d 1 . .
H H12 1.148164 0.640996 0.964731 0.065 Uiso calc 1 . .
C C13 1.0353(3) 0.67713(8) 0.84621(13) 0.0427(4) Uani d 1 . .
H H13 1.147668 0.668280 0.814937 0.051 Uiso calc 1 . .
C C14 0.8757(2) 0.70636(7) 0.80106(11) 0.0328(4) Uani d 1 . .
C C15 0.8907(2) 0.72385(7) 0.70189(11) 0.0306(4) Uani d 1 . .
C C16 0.7494(2) 0.68667(7) 0.63750(11) 0.0302(3) Uani d 1 . .
H H16A 0.781845 0.644864 0.647117 0.036 Uiso calc 1 . .
H H16B 0.610943 0.692780 0.652065 0.036 Uiso calc 1 . .
C C17 0.7636(3) 0.70177(8) 0.53891(11) 0.0376(4) Uani d 1 . .
H H17A 0.758925 0.744767 0.532353 0.045 Uiso calc 1 . .
H H17B 0.894424 0.688522 0.521902 0.045 Uiso calc 1 . .
C C18 0.6024(3) 0.67544(7) 0.47353(11) 0.0373(4) Uani d 1 . .
H H18A 0.471694 0.688457 0.490970 0.045 Uiso calc 1 . .
H H18B 0.617271 0.691320 0.412923 0.045 Uiso calc 1 . .
C C19 0.7946(3) 0.58483(9) 0.44969(13) 0.0428(4) Uani d 1 . .
H H19A 0.782727 0.542242 0.446047 0.064 Uiso calc 1 . .
H H19B 0.895551 0.595334 0.498382 0.064 Uiso calc 1 . .
H H19C 0.833659 0.600058 0.392648 0.064 Uiso calc 1 . .
C C20 0.4418(3) 0.59129(9) 0.39854(13) 0.0467(5) Uani d 1 . .
H H20A 0.466060 0.608124 0.340281 0.070 Uiso calc 1 . .
H H20B 0.312640 0.604628 0.415442 0.070 Uiso calc 1 . .
H H20C 0.441801 0.548605 0.394234 0.070 Uiso calc 1 . .
Cl Cl1 -0.05707(7) 0.52215(2) 0.69053(3) 0.04297(16) Uani d 0.9600(15) B 1
O O2 0.4875(4) 0.55670(15) 0.60797(16) 0.0359(6) Uani d 0.9600(15) B 1
O O3 0.2218(4) 0.61482(13) 0.60465(13) 0.0406(4) Uani d 0.9600(15) B 1
C C21 0.3407(3) 0.57905(8) 0.64190(12) 0.0294(4) Uani d 0.9600(15) B 1
C C22 0.3192(3) 0.56105(7) 0.73778(11) 0.0303(4) Uani d 0.9600(15) B 1
C C23 0.1495(3) 0.53554(7) 0.76610(12) 0.0325(4) Uani d 0.9600(15) B 1
C C24 0.1385(3) 0.52015(9) 0.85523(13) 0.0425(5) Uani d 0.9600(15) B 1
H H24 0.022568 0.501828 0.873292 0.051 Uiso calc 0.9600(15) B 1
C C25 0.2976(4) 0.53169(9) 0.91742(13) 0.0499(5) Uani d 0.9600(15) B 1
H H25 0.290500 0.521547 0.978665 0.060 Uiso calc 0.9600(15) B 1
C C26 0.4667(4) 0.55782(9) 0.89141(14) 0.0491(5) Uani d 0.9600(15) B 1
H H26 0.575063 0.566423 0.934541 0.059 Uiso calc 0.9600(15) B 1
C C27 0.4770(4) 0.57139(12) 0.80175(17) 0.0417(5) Uani d 0.9600(15) B 1
H H27 0.595325 0.588246 0.783629 0.050 Uiso calc 0.9600(15) B 1
Cl Cl1' 0.564(2) 0.5767(8) 0.8173(12) 0.053(4) Uani d 0.0400(15) B 2
O O2' 0.488(9) 0.561(4) 0.622(5) 0.0359(6) Uani d 0.0400(15) B 2
O O3' 0.225(10) 0.618(3) 0.586(4) 0.0406(4) Uani d 0.0400(15) B 2
C C21' 0.317(5) 0.5805(11) 0.6330(19) 0.0294(4) Uani d 0.0400(15) B 2
C C22' 0.226(3) 0.5557(6) 0.7133(13) 0.035(3) Uani d 0.0400(15) B 2
C C23' 0.322(2) 0.5517(6) 0.7991(13) 0.042(2) Uani d 0.0400(15) B 2
C C24' 0.230(3) 0.5285(10) 0.8706(14) 0.042(3) Uani d 0.0400(15) B 2
H H24' 0.299591 0.526275 0.928789 0.051 Uiso calc 0.0400(15) B 2
C C25' 0.037(4) 0.5087(11) 0.8556(17) 0.041(3) Uani d 0.0400(15) B 2
H H25' -0.026900 0.492706 0.903833 0.049 Uiso calc 0.0400(15) B 2
C C26' -0.063(3) 0.5119(11) 0.7711(18) 0.039(3) Uani d 0.0400(15) B 2
H H26' -0.198774 0.501143 0.761498 0.047 Uiso calc 0.0400(15) B 2
C C27' 0.039(4) 0.531(2) 0.7004(16) 0.040(3) Uani d 0.0400(15) B 2
H H27' -0.022587 0.527469 0.640815 0.048 Uiso calc 0.0400(15) B 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
O1 0.0272(6) 0.0374(7) 0.0526(8) -0.0017(5) 0.0073(5) -0.0064(6)
N1 0.0364(7) 0.0252(7) 0.0272(7) -0.0008(6) 0.0006(6) -0.0023(5)
C1 0.0378(9) 0.0294(8) 0.0326(8) -0.0031(7) -0.0077(7) -0.0076(7)
C2 0.0652(13) 0.0391(10) 0.0330(9) -0.0016(9) 0.0144(9) -0.0006(8)
C3 0.0934(18) 0.0407(11) 0.0437(11) -0.0089(12) 0.0217(11) 0.0096(9)
C4 0.0881(17) 0.0306(10) 0.0352(10) 0.0043(10) -0.0035(10) -0.0006(8)
C5 0.0570(13) 0.0329(10) 0.0637(13) 0.0093(9) -0.0126(10) -0.0106(9)
C6 0.0381(10) 0.0302(9) 0.0863(16) -0.0002(8) -0.0040(10) -0.0095(10)
C7 0.0304(12) 0.0422(14) 0.0501(15) 0.0058(10) -0.0025(12) -0.0013(13)
C8 0.0282(12) 0.063(2) 0.0472(16) 0.0013(16) 0.0083(11) -0.0021(16)
C9 0.0333(10) 0.0894(16) 0.0375(10) 0.0030(10) 0.0004(8) -0.0034(10)
C7' 0.0304(12) 0.0422(14) 0.0501(15) 0.0058(10) -0.0025(12) -0.0013(13)
C8' 0.0282(12) 0.063(2) 0.0472(16) 0.0013(16) 0.0083(11) -0.0021(16)
C10 0.0507(13) 0.100(2) 0.0389(11) 0.0042(13) 0.0082(9) -0.0066(12)
C11 0.0745(15) 0.0563(13) 0.0349(10) 0.0040(11) 0.0031(10) -0.0071(9)
C12 0.0716(15) 0.0438(11) 0.0456(11) 0.0219(10) -0.0053(10) -0.0012(9)
C13 0.0511(11) 0.0340(9) 0.0430(10) 0.0139(8) 0.0038(8) -0.0046(8)
C14 0.0331(9) 0.0300(8) 0.0345(8) -0.0054(7) -0.0013(7) -0.0097(7)
C15 0.0251(8) 0.0284(8) 0.0377(9) -0.0008(6) 0.0005(6) -0.0050(7)
C16 0.0318(8) 0.0249(8) 0.0337(8) -0.0024(6) 0.0021(7) -0.0041(6)
C17 0.0509(11) 0.0283(8) 0.0335(9) -0.0088(8) 0.0032(8) -0.0039(7)
C18 0.0543(11) 0.0248(8) 0.0315(8) 0.0009(8) -0.0031(8) -0.0010(6)
C19 0.0442(10) 0.0420(10) 0.0441(10) 0.0038(8) 0.0145(8) -0.0055(8)
C20 0.0562(12) 0.0408(10) 0.0394(10) -0.0063(9) -0.0146(9) -0.0058(8)
Cl1 0.0367(3) 0.0428(3) 0.0493(3) -0.0071(2) 0.0036(2) 0.0053(2)
O2 0.0367(7) 0.0329(9) 0.0401(12) 0.0059(6) 0.0139(7) 0.0008(10)
O3 0.0401(7) 0.0446(8) 0.0377(12) 0.0127(6) 0.0075(8) 0.0074(8)
C21 0.0290(9) 0.0262(8) 0.0333(8) -0.0014(6) 0.0047(7) -0.0028(6)
C22 0.0326(9) 0.0264(8) 0.0323(9) 0.0067(7) 0.0052(7) -0.0017(7)
C23 0.0391(9) 0.0258(8) 0.0334(8) 0.0049(7) 0.0070(7) -0.0007(7)
C24 0.0569(12) 0.0332(10) 0.0398(10) 0.0022(9) 0.0167(9) 0.0022(8)
C25 0.0778(15) 0.0420(11) 0.0302(9) 0.0102(10) 0.0059(10) 0.0026(8)
C26 0.0595(13) 0.0473(12) 0.0382(10) 0.0089(10) -0.0078(9) -0.0039(9)
C27 0.0390(13) 0.0429(12) 0.0423(12) 0.0051(11) -0.0003(11) -0.0012(9)
Cl1' 0.059(8) 0.051(7) 0.050(7) 0.004(7) 0.006(7) 0.003(6)
O2' 0.0367(7) 0.0329(9) 0.0401(12) 0.0059(6) 0.0139(7) 0.0008(10)
O3' 0.0401(7) 0.0446(8) 0.0377(12) 0.0127(6) 0.0075(8) 0.0074(8)
C21' 0.0290(9) 0.0262(8) 0.0333(8) -0.0014(6) 0.0047(7) -0.0028(6)
C22' 0.038(4) 0.030(4) 0.038(4) 0.004(4) 0.005(4) -0.003(4)
C23' 0.051(4) 0.037(4) 0.038(4) 0.005(4) 0.004(4) 0.000(4)
C24' 0.056(4) 0.037(4) 0.035(4) 0.005(4) 0.006(4) 0.002(4)
C25' 0.056(5) 0.033(5) 0.034(5) 0.004(5) 0.009(5) 0.003(5)
C26' 0.049(5) 0.033(5) 0.036(5) 0.002(5) 0.010(5) 0.002(5)
C27' 0.043(6) 0.035(6) 0.042(6) 0.003(6) 0.006(6) -0.001(6)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C15 O1 H1O . . 112.3(15) ?
C19 N1 C20 . . 110.60(14) ?
C19 N1 C18 . . 113.77(14) ?
C20 N1 C18 . . 109.41(13) ?
C19 N1 H1N . . 108.8(12) ?
C20 N1 H1N . . 103.6(12) ?
C18 N1 H1N . . 110.2(12) ?
C2 C1 C6 . . 117.12(17) ?
C2 C1 C15 . . 118.58(16) ?
C6 C1 C15 . . 124.29(16) ?
C1 C2 C3 . . 122.0(2) ?
C1 C2 H2 . . 119.0 ?
C3 C2 H2 . . 119.0 ?
C4 C3 C2 . . 120.0(2) ?
C4 C3 H3 . . 120.0 ?
C2 C3 H3 . . 120.0 ?
C5 C4 C3 . . 118.64(19) ?
C5 C4 H4 . . 120.7 ?
C3 C4 H4 . . 120.7 ?
C4 C5 C6 . . 122.8(2) ?
C4 C5 H5 . . 118.6 ?
C6 C5 H5 . . 118.6 ?
C5 C6 C1 . . 119.4(2) ?
C5 C6 C7 . . 117.4(2) ?
C1 C6 C7 . . 121.8(2) ?
C5 C6 C7' . . 111.6(2) ?
C1 C6 C7' . . 124.5(2) ?
C6 C7 C8 . . 105.3(3) ?
C6 C7 H7A . . 110.7 ?
C8 C7 H7A . . 110.7 ?
C6 C7 H7B . . 110.7 ?
C8 C7 H7B . . 110.7 ?
H7A C7 H7B . . 108.8 ?
C7 C8 C9 . . 120.7(3) ?
C7 C8 H8A . . 107.2 ?
C9 C8 H8A . . 107.2 ?
C7 C8 H8B . . 107.2 ?
C9 C8 H8B . . 107.2 ?
H8A C8 H8B . . 106.8 ?
C14 C9 C10 . . 119.00(19) ?
C14 C9 C8' . . 122.4(3) ?
C10 C9 C8' . . 115.9(3) ?
C14 C9 C8 . . 126.6(2) ?
C10 C9 C8 . . 112.5(2) ?
C8' C7' C6 . . 119.9(4) ?
C8' C7' H7'A . . 107.4 ?
C6 C7' H7'A . . 107.4 ?
C8' C7' H7'B . . 107.4 ?
C6 C7' H7'B . . 107.4 ?
H7'A C7' H7'B . . 106.9 ?
C9 C8' C7' . . 100.8(4) ?
C9 C8' H8'A . . 111.6 ?
C7' C8' H8'A . . 111.6 ?
C9 C8' H8'B . . 111.6 ?
C7' C8' H8'B . . 111.6 ?
H8'A C8' H8'B . . 109.4 ?
C11 C10 C9 . . 122.7(2) ?
C11 C10 H10 . . 118.7 ?
C9 C10 H10 . . 118.7 ?
C12 C11 C10 . . 118.7(2) ?
C12 C11 H11 . . 120.6 ?
C10 C11 H11 . . 120.6 ?
C11 C12 C13 . . 119.8(2) ?
C11 C12 H12 . . 120.1 ?
C13 C12 H12 . . 120.1 ?
C12 C13 C14 . . 122.15(19) ?
C12 C13 H13 . . 118.9 ?
C14 C13 H13 . . 118.9 ?
C13 C14 C9 . . 117.59(17) ?
C13 C14 C15 . . 118.19(15) ?
C9 C14 C15 . . 124.22(16) ?
O1 C15 C16 . . 107.76(13) ?
O1 C15 C14 . . 108.96(13) ?
C16 C15 C14 . . 111.19(13) ?
O1 C15 C1 . . 105.28(13) ?
C16 C15 C1 . . 112.76(13) ?
C14 C15 C1 . . 110.61(13) ?
C17 C16 C15 . . 112.66(14) ?
C17 C16 H16A . . 109.1 ?
C15 C16 H16A . . 109.1 ?
C17 C16 H16B . . 109.1 ?
C15 C16 H16B . . 109.1 ?
H16A C16 H16B . . 107.8 ?
C18 C17 C16 . . 115.17(15) ?
C18 C17 H17A . . 108.5 ?
C16 C17 H17A . . 108.5 ?
C18 C17 H17B . . 108.5 ?
C16 C17 H17B . . 108.5 ?
H17A C17 H17B . . 107.5 ?
N1 C18 C17 . . 115.70(14) ?
N1 C18 H18A . . 108.4 ?
C17 C18 H18A . . 108.4 ?
N1 C18 H18B . . 108.4 ?
C17 C18 H18B . . 108.4 ?
H18A C18 H18B . . 107.4 ?
N1 C19 H19A . . 109.5 ?
N1 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
N1 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
N1 C20 H20A . . 109.5 ?
N1 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
N1 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
O3 C21 O2 . . 125.90(17) ?
O3 C21 C22 . . 119.30(15) ?
O2 C21 C22 . . 114.76(15) ?
C27 C22 C23 . . 117.80(18) ?
C27 C22 C21 . . 118.17(18) ?
C23 C22 C21 . . 124.02(16) ?
C24 C23 C22 . . 121.31(18) ?
C24 C23 Cl1 . . 117.88(15) ?
C22 C23 Cl1 . . 120.80(13) ?
C25 C24 C23 . . 119.4(2) ?
C25 C24 H24 . . 120.3 ?
C23 C24 H24 . . 120.3 ?
C26 C25 C24 . . 120.51(19) ?
C26 C25 H25 . . 119.7 ?
C24 C25 H25 . . 119.7 ?
C25 C26 C27 . . 119.3(2) ?
C25 C26 H26 . . 120.4 ?
C27 C26 H26 . . 120.4 ?
C26 C27 C22 . . 121.7(2) ?
C26 C27 H27 . . 119.2 ?
C22 C27 H27 . . 119.2 ?
O3' C21' O2' . . 125.6(16) ?
O3' C21' C22' . . 119.5(15) ?
O2' C21' C22' . . 114.8(14) ?
C27' C22' C23' . . 116.5(10) ?
C27' C22' C21' . . 118.5(13) ?
C23' C22' C21' . . 124.8(13) ?
C22' C23' C24' . . 122.3(11) ?
C22' C23' Cl1' . . 118.6(11) ?
C24' C23' Cl1' . . 119.2(11) ?
C25' C24' C23' . . 118.9(12) ?
C25' C24' H24' . . 120.6 ?
C23' C24' H24' . . 120.6 ?
C26' C25' C24' . . 120.5(12) ?
C26' C25' H25' . . 119.8 ?
C24' C25' H25' . . 119.8 ?
C25' C26' C27' . . 118.7(12) ?
C25' C26' H26' . . 120.6 ?
C27' C26' H26' . . 120.6 ?
C22' C27' C26' . . 122.4(13) ?
C22' C27' H27' . . 118.8 ?
C26' C27' H27' . . 118.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C15 . 1.418(2) ?
O1 H1O . 0.86(2) ?
N1 C19 . 1.480(2) ?
N1 C20 . 1.487(2) ?
N1 C18 . 1.495(2) ?
N1 H1N . 1.00(2) ?
C1 C2 . 1.382(3) ?
C1 C6 . 1.398(3) ?
C1 C15 . 1.548(2) ?
C2 C3 . 1.396(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.365(3) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.351(3) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.394(3) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.463(4) ?
C6 C7' . 1.662(5) ?
C7 C8 . 1.522(4) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
C8 C9 . 1.615(4) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C14 . 1.394(3) ?
C9 C10 . 1.394(3) ?
C9 C8' . 1.488(5) ?
C7' C8' . 1.523(6) ?
C7' H7'A . 0.9900 ?
C7' H7'B . 0.9900 ?
C8' H8'A . 0.9900 ?
C8' H8'B . 0.9900 ?
C10 C11 . 1.366(3) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.365(3) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.389(3) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.389(2) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.548(2) ?
C15 C16 . 1.547(2) ?
C16 C17 . 1.525(2) ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C17 C18 . 1.519(2) ?
C17 H17A . 0.9900 ?
C17 H17B . 0.9900 ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C19 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C20 H20A . 0.9800 ?
C20 H20B . 0.9800 ?
C20 H20C . 0.9800 ?
Cl1 C23 . 1.7388(19) ?
O2 C21 . 1.264(2) ?
O3 C21 . 1.243(2) ?
C21 C22 . 1.511(2) ?
C22 C27 . 1.384(3) ?
C22 C23 . 1.388(2) ?
C23 C24 . 1.387(3) ?
C24 C25 . 1.380(3) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.378(3) ?
C25 H25 . 0.9500 ?
C26 C27 . 1.384(3) ?
C26 H26 . 0.9500 ?
C27 H27 . 0.9500 ?
Cl1' C23' . 1.729(9) ?
O2' C21' . 1.264(9) ?
O3' C21' . 1.243(9) ?
C21' C22' . 1.510(9) ?
C22' C27' . 1.380(10) ?
C22' C23' . 1.385(9) ?
C23' C24' . 1.389(9) ?
C24' C25' . 1.379(10) ?
C24' H24' . 0.9500 ?
C25' C26' . 1.378(10) ?
C25' H25' . 0.9500 ?
C26' C27' . 1.385(10) ?
C26' H26' . 0.9500 ?
C27' H27' . 0.9500 ?
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
O1 H1O O3 1_655 0.86(2) 1.91(2) 2.724(3) 159(2) yes
O1 H1O O3' 1_655 0.86(2) 2.02(8) 2.81(8) 153(3) yes
N1 H1N O2 . 1.00(2) 1.61(2) 2.605(2) 171.5(19) yes
N1 H1N O2' . 1.00(2) 1.73(4) 2.73(4) 178(4) yes
N1 H1N O3' . 1.00(2) 2.58(5) 3.23(5) 122.4(16) yes
C19 H19B O3 1_655 0.98 2.63 3.595(4) 167 yes
C19 H19B O3' 1_655 0.98 2.52 3.47(9) 162 yes
C20 H20C O2 3_666 0.98 2.46 3.426(4) 169 yes
C20 H20C O2' 3_666 0.98 2.57 3.54(10) 169 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . 1.7(3) ?
C15 C1 C2 C3 . . . . -179.25(17) ?
C1 C2 C3 C4 . . . . -1.0(3) ?
C2 C3 C4 C5 . . . . -0.4(3) ?
C3 C4 C5 C6 . . . . 1.2(3) ?
C4 C5 C6 C1 . . . . -0.6(3) ?
C4 C5 C6 C7 . . . . -167.3(2) ?
C4 C5 C6 C7' . . . . 156.6(3) ?
C2 C1 C6 C5 . . . . -0.9(3) ?
C15 C1 C6 C5 . . . . -179.91(18) ?
C2 C1 C6 C7 . . . . 165.2(2) ?
C15 C1 C6 C7 . . . . -13.8(3) ?
C2 C1 C6 C7' . . . . -154.9(3) ?
C15 C1 C6 C7' . . . . 26.1(3) ?
C5 C6 C7 C8 . . . . -115.1(3) ?
C1 C6 C7 C8 . . . . 78.5(3) ?
C6 C7 C8 C9 . . . . -64.1(4) ?
C7 C8 C9 C14 . . . . 19.6(5) ?
C7 C8 C9 C10 . . . . -176.6(3) ?
C5 C6 C7' C8' . . . . 173.2(3) ?
C1 C6 C7' C8' . . . . -31.1(5) ?
C14 C9 C8' C7' . . . . -83.4(4) ?
C10 C9 C8' C7' . . . . 115.6(3) ?
C6 C7' C8' C9 . . . . 69.8(5) ?
C14 C9 C10 C11 . . . . 0.7(4) ?
C8' C9 C10 C11 . . . . 162.3(3) ?
C8 C9 C10 C11 . . . . -164.4(3) ?
C9 C10 C11 C12 . . . . 0.1(4) ?
C10 C11 C12 C13 . . . . -0.8(3) ?
C11 C12 C13 C14 . . . . 0.9(3) ?
C12 C13 C14 C9 . . . . -0.2(3) ?
C12 C13 C14 C15 . . . . 179.15(18) ?
C10 C9 C14 C13 . . . . -0.6(3) ?
C8' C9 C14 C13 . . . . -161.0(3) ?
C8 C9 C14 C13 . . . . 162.2(2) ?
C10 C9 C14 C15 . . . . -179.9(2) ?
C8' C9 C14 C15 . . . . 19.8(4) ?
C8 C9 C14 C15 . . . . -17.1(3) ?
C13 C14 C15 O1 . . . . -9.3(2) ?
C9 C14 C15 O1 . . . . 169.98(17) ?
C13 C14 C15 C16 . . . . 109.36(17) ?
C9 C14 C15 C16 . . . . -71.4(2) ?
C13 C14 C15 C1 . . . . -124.55(16) ?
C9 C14 C15 C1 . . . . 54.7(2) ?
C2 C1 C15 O1 . . . . 5.5(2) ?
C6 C1 C15 O1 . . . . -175.44(17) ?
C2 C1 C15 C16 . . . . -111.70(17) ?
C6 C1 C15 C16 . . . . 67.3(2) ?
C2 C1 C15 C14 . . . . 123.10(17) ?
C6 C1 C15 C14 . . . . -57.9(2) ?
O1 C15 C16 C17 . . . . -59.35(18) ?
C14 C15 C16 C17 . . . . -178.70(14) ?
C1 C15 C16 C17 . . . . 56.41(19) ?
C15 C16 C17 C18 . . . . -168.84(14) ?
C19 N1 C18 C17 . . . . -53.2(2) ?
C20 N1 C18 C17 . . . . -177.48(16) ?
C16 C17 C18 N1 . . . . -64.1(2) ?
O3 C21 C22 C27 . . . . -120.5(3) ?
O2 C21 C22 C27 . . . . 57.2(3) ?
O3 C21 C22 C23 . . . . 58.5(3) ?
O2 C21 C22 C23 . . . . -123.9(3) ?
C27 C22 C23 C24 . . . . -0.8(3) ?
C21 C22 C23 C24 . . . . -179.78(17) ?
C27 C22 C23 Cl1 . . . . 178.91(16) ?
C21 C22 C23 Cl1 . . . . 0.0(2) ?
C22 C23 C24 C25 . . . . 1.6(3) ?
Cl1 C23 C24 C25 . . . . -178.16(15) ?
C23 C24 C25 C26 . . . . -0.5(3) ?
C24 C25 C26 C27 . . . . -1.2(3) ?
C25 C26 C27 C22 . . . . 2.0(4) ?
C23 C22 C27 C26 . . . . -1.0(3) ?
C21 C22 C27 C26 . . . . 178.0(2) ?
O3' C21' C22' C27' . . . . 55(6) ?
O2' C21' C22' C27' . . . . -127(7) ?
O3' C21' C22' C23' . . . . -130(6) ?
O2' C21' C22' C23' . . . . 49(7) ?
C27' C22' C23' C24' . . . . -5(3) ?
C21' C22' C23' C24' . . . . 180.00(17) ?
C27' C22' C23' Cl1' . . . . 175(2) ?
C21' C22' C23' Cl1' . . . . 0.0(2) ?
C22' C23' C24' C25' . . . . 0.0(4) ?
Cl1' C23' C24' C25' . . . . 180.0(2) ?
C23' C24' C25' C26' . . . . 0.0(4) ?
C24' C25' C26' C27' . . . . 5(3) ?
C23' C22' C27' C26' . . . . 10(5) ?
C21' C22' C27' C26' . . . . -174(3) ?
C25' C26' C27' C22' . . . . -10(5) ?