#------------------------------------------------------------------------------
#$Date: 2022-09-23 03:04:31 +0100 (Fri, 23 Sep 2022) $
#$Revision: 278102 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/41/2244166.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_2244166
loop_
_publ_author_name
'Archana, Sreeramapura D.'
'Kiran Kumar, Haruvegowda'
'Yathirajan, Hemmige S.'
'Foro, Sabine'
'Butcher, Ray J.'
_publ_section_title
;
 The structures of eleven (4-phenyl)piperazinium salts containing organic
 anions
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2056989022009057
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C10 H15 N2 + , C7 H4 N O4 -'
_chemical_formula_moiety         'C10 H15 N2 + , C7 H4 N O4 -'
_chemical_formula_sum            'C17 H19 N3 O4'
_chemical_formula_weight         329.35
_chemical_name_systematic
;
4-Phenylpiperazin-1-ium 4-nitrobenzoate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 95.137(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0683(9)
_cell_length_b                   15.7868(9)
_cell_length_c                   7.9255(5)
_cell_measurement_reflns_used    4084
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.56
_cell_volume                     1628.52(18)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL-2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur with Sapphire CCD
;
_diffrn_measurement_method
;
Rotation method data acquisition using omega scans.
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            11699
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.955
_diffrn_reflns_theta_min         2.885
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysalisRED; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_description       prism
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.440
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.146
_refine_diff_density_min         -0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         3587
_refine_ls_number_restraints     83
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0406P)^2^+0.2296P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                2088
_reflns_number_total             3587
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb8034sup1.cif
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2244166
_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   0.955
_shelx_estimated_absorpt_t_max   0.985
_shelx_hkl_file
;
   2   0   0 22941.7 88.9982   7
   3   0   0 642.806 24.6349   7
   4   0   0 2714.40 46.2562   7
   5   0   0 6413.48 77.8254   7
   6   0   0 2461.85 33.1882   3
   6   0   0 2517.65 56.2046   7
   7   0   0 4470.22 47.9744   3
   7   0   0 4516.57 78.9832   7
   8   0   0 481.444 40.2209   7
   9   0   0 963.569 50.1147   7
  10   0   0 280.040 40.9412   7
  11   0   0-2.41721 41.2785   7
  12   0   0 172.199 47.6018   7
  13   0   0 372.996 54.5075   7
  14   0   0 2.41583 50.6563   7
  15   0   0 170.217 59.3991   7
  16   0   0 178.539 57.7346   7
   2  -1   0 5335.00 44.9965   7
   2   1   0 5277.00 45.3153   7
   3   1   0 6035.54 58.5136   7
   3  -1   0 6086.90 58.5558   7
   3  -1   0 6160.59 48.4963   3
   4   1   0 62.6791 15.2237   7
   4  -1   0 68.6744 19.1713   7
   4  -1   0 72.5728 11.3756   3
   5  -1   0 4.43598 18.6647   7
   5   1   0 25.7862 21.5535   7
   5  -1   0 7.49296 10.6394   3
   6  -1   0 594.523 34.2484   7
   6  -1   0 588.523 21.4715   3
   6   1   0 547.115 34.0765   7
   7  -1   0 178.496 25.1076   7
   7   1   0 125.699 25.1918   7
   7  -1   0 176.319 14.7726   3
   8   1   0 1425.17 53.6121   7
   8  -1   0 1501.53 53.2951   7
   9   1   0-5.41192 33.0331   7
   9  -1   0 11.8113 27.0753   7
  10   1   0 936.215 54.5206   7
  10  -1   0 877.760 52.3477   7
  11   1   0 360.590 48.8235   7
  11  -1   0 358.653 47.7813   7
  12  -1   0 492.276 53.3251   7
  12   1   0 559.679 59.5542   7
  13   1   0 1828.04 82.0432   7
  13  -1   0 1782.57 84.8302   7
  14  -1   0 410.280 57.6833   7
  14   1   0 413.670 63.5932   7
  15   1   0 284.130 62.8557   7
  15  -1   0 338.786 62.6426   7
  16  -1   0-11.8025 45.7607   7
  16   1   0-155.972 57.8281   7
   0   2   0 1018.42 21.3272   0
  -1  -2   0 771.709 21.3707   4
  -1  -2   0 751.455 18.7903   0
   1   2   0 747.013 18.6335   7
   1  -2   0 796.914 22.6262   6
   1  -2   0 772.648 20.5919   3
   2  -2   0 1529.66 33.1877   6
   2  -2   0 1443.21 27.8088   7
  -2  -2   0 1428.76 28.4099   4
  -2  -2   0 1499.54 27.8695   2
   2  -2   0 1458.83 29.4021   3
   2   2   0 1511.22 30.7426   7
   3  -2   0 35.5331 17.1907   7
  -3  -2   0 40.9621 12.3094   1
   3   2   0 31.0654 17.2734   7
   3  -2   0 41.8230 12.4231   3
   4   2   0 192.058 22.9260   7
   4  -2   0 218.886 16.8467   3
   4  -2   0 209.812 21.7148   7
   5   2   0 13806.8 113.562   7
   5  -2   0 13751.4 98.2126   3
   5  -2   0 13857.2 114.094   7
   6   2   0 807.333 37.6293   7
   6  -2   0 761.739 35.7571   7
   6  -2   0 771.197 27.8184   3
   7   2   0 5.49237 27.4223   7
  -7  -2   0-9.45915 10.8222   4
   7  -2   0-20.3419 27.6615   7
   7  -2   0 2.23218 13.3242   3
   8   2   0 1937.58 62.0810   7
   8  -2   0 2082.79 62.0033   7
   8  -2   0 1895.37 42.5240   3
   9  -2   0 292.009 35.9231   7
   9   2   0 326.738 38.3272   7
  10  -2   0 722.241 50.6417   7
  10   2   0 714.715 52.8272   7
  11   2   0 5.74045 37.5255   7
  11  -2   0 12.0951 40.8533   7
  12   2   0 714.848 60.5930   7
  12  -2   0 669.587 57.6877   7
  13  -2   0 234.801 51.2868   7
  13   2   0 367.429 60.5378   7
  14  -2   0 143.972 54.8698   7
  14   2   0 250.958 60.4757   7
  15   2   0 0.82878 47.6538   7
  15  -2   0 65.5621 56.8587   7
  16  -2   0 20.8286 50.5193   7
  16   2   0 49.2463 47.3843   7
   0  -3   0 5.19411 16.2988   6
   0   3   0 7.53976 21.7214   0
   0  -3   0 22.0854 15.7750   4
   0  -3   0 24.7860 16.8763   3
   1  -3   0 7099.33 62.7899   4
  -1  -3   0 7016.08 47.6782   2
  -1  -3   0 6887.88 60.2876   0
   1  -3   0 7000.41 65.2079   3
   1   3   0 6972.92 60.5814   0
   1   3   0 6897.15 60.6556   7
  -1  -3   0 7088.12 58.7503   3
   1  -3   0 7238.37 73.5665   6
  -1  -3   0 6816.29 65.1303   4
   2   3   0 1772.66 36.4904   7
   2  -3   0 1803.94 37.6689   7
  -2  -3   0 1939.74 33.0062   2
   2  -3   0 1821.44 37.4955   3
   2  -3   0 1813.21 42.6379   6
  -2  -3   0 1718.20 38.5222   4
   2  -3   0 1813.53 33.2700   4
   3  -3   0 798.576 23.5680   4
   3  -3   0 710.656 26.7390   3
   3  -3   0 729.412 32.5831   6
   3   3   0 807.089 29.8488   7
  -3  -3   0 762.406 25.9625   2
  -3  -3   0 709.354 26.5687   4
   3  -3   0 716.412 29.3026   7
   4   3   0 169.658 23.3772   7
  -4  -3   0 178.427 17.4623   4
   4  -3   0 189.905 25.1950   6
   4  -3   0 175.225 18.9999   3
   4  -3   0 258.084 22.9574   7
   5  -3   0 29785.2 158.955   3
   5   3   0 30304.5 172.091   7
  -5  -3   0 29530.0 146.912   4
   5  -3   0 29378.5 172.695   7
  -5  -3   0 29614.1 120.035   1
   6  -3   0 8549.47 103.422   7
  -6  -3   0 8687.18 76.1214   1
   6   3   0 8742.08 102.365   7
   6  -3   0 8634.48 90.3864   3
  -6  -3   0 8523.91 81.7181   4
   7  -3   0 506.789 27.6645   3
   7  -3   0 496.541 37.2391   7
  -7  -3   0 447.786 22.7198   4
   7   3   0 575.372 37.9484   7
   8  -3   0 397.424 39.6483   7
   8   3   0 429.320 38.5631   7
   8  -3   0 419.856 25.9610   3
   9   3   0 109.800 34.7129   7
   9  -3   0 123.783 34.1288   7
  10   3   0 1296.17 62.3129   7
  10  -3   0 1198.17 63.8358   7
  11   3   0 596.794 55.8203   7
  11  -3   0 570.821 50.1369   7
  12   3   0 251.201 51.4767   7
  12  -3   0 303.486 51.4554   7
  13  -3   0 1884.21 90.2557   7
  13   3   0 1882.03 86.9961   7
  14  -3   0 182.583 57.7645   7
  14   3   0 218.673 53.6210   7
  15  -3   0 91.7643 51.9321   7
  15   3   0 167.360 54.1110   7
  16   3   0 0.46119 56.8246   7
  16  -3   0-26.6619 48.2046   7
   0  -4   0 267925. 1728.60   3
   0   4   0 265038. 1621.23   0
   1   4   0 161.334 19.2387   7
   1   4   0 158.144 21.4137   0
  -1  -4   0 158.848 17.5066   3
  -1  -4   0 200.284 16.4440   2
  -1  -4   0 164.957 25.3154   0
  -1  -4   0 153.839 26.3275   4
   1  -4   0 203.620 23.5742   6
   1  -4   0 189.995 24.4266   4
   1  -4   0 208.143 23.1552   3
  -2  -4   0 729.060 32.0245   4
   2  -4   0 759.843 31.0767   7
   2  -4   0 787.740 36.1881   6
  -2  -4   0 755.379 28.4450   0
   2  -4   0 772.343 30.2647   3
   2   4   0 758.620 29.6529   7
   2  -4   0 731.760 28.6591   4
  -2  -4   0 724.656 23.4980   2
   3  -4   0 22.9619 17.0086   3
   3  -4   0 37.2352 21.2786   6
  -3  -4   0 27.3058 16.4666   2
   3  -4   0 29.3908 14.4816   4
  -3  -4   0 12.1598 16.8261   4
   3  -4   0 17.4015 13.7441   2
   3   4   0 33.9625 19.0668   7
   3  -4   0 19.1342 17.4964   7
   3  -4   0 28.4567 10.8546   5
   4   4   0 19.8680 20.4188   7
  -4  -4   0 20.6879 16.1257   4
   4  -4   0 31.0790 18.9573   7
   4  -4   0 8.21534 18.0859   3
   4  -4   0 11.4953 24.5956   6
   4  -4   0 9.39066 17.4120   2
   4  -4   0 23.6998 13.2896   4
   5  -4   0 7155.36 91.1893   7
   5  -4   0 7127.50 100.040   6
   5  -4   0 7284.97 88.7219   3
  -5  -4   0 7032.95 82.0432   4
   5   4   0 7319.78 91.4376   7
  -6  -4   0 86.1334 18.9175   4
   6   4   0 72.8390 28.0170   7
   6  -4   0 75.0158 21.1048   3
   6  -4   0 64.0508 26.2411   7
   6  -4   0 38.6966 25.6214   6
   7  -4   0 7205.19 111.895   6
   7   4   0 7157.38 103.377   7
  -7  -4   0 6838.42 66.8850   1
   7  -4   0 6656.12 91.1272   3
   7  -4   0 7104.17 105.110   7
  -7  -4   0 6858.30 83.1308   4
   8  -4   0 20.9577 29.3453   7
   8   4   0 23.2652 31.8114   7
   8  -4   0-13.8152 18.7716   3
   9  -4   0 131.695 36.5587   7
   9   4   0 99.1298 35.4212   7
  10  -4   0 237.641 41.6299   7
  10   4   0 235.554 43.7598   7
  11  -4   0 107.055 44.5117   7
  11   4   0 86.4567 45.4279   7
  12   4   0 435.791 59.5443   7
  12  -4   0 358.867 52.3425   7
  13  -4   0 19.8474 51.1116   7
  13   4   0 100.481 47.3887   7
  14  -4   0 89.0165 51.4470   7
  14   4   0 132.480 55.0058   7
  15  -4   0 25.8497 52.8141   7
  15   4   0 2.56476 45.4910   7
  16  -4   0 266.242 66.4669   7
  16   4   0 105.257 59.1326   7
  16  -4   0 319.003 65.2939   6
   0  -5   0-2.73533 22.8387   4
   0   5   0 26.1976 21.3353   0
   0  -5   0 4.10551 19.9556   3
   0  -5   0-2.07432 16.1845   5
   0  -5   0-3.99977 12.0043   2
   1  -5   0 274.846 25.7762   4
  -1  -5   0 255.667 28.8580   4
   1  -5   0 269.477 25.8701   3
   1  -5   0 260.909 16.2591   5
  -1  -5   0 214.499 29.5803   0
   1   5   0 260.281 24.2565   0
  -1  -5   0 263.176 22.3009   3
   1  -5   0 216.452 33.1292   6
  -1  -5   0 241.540 16.4951   2
   2   5   0 5689.37 71.9563   7
  -2  -5   0 5643.53 57.2848   2
   2  -5   0 5706.87 73.0170   4
   2  -5   0 5604.71 47.6675   5
   2  -5   0 5655.22 85.7903   6
   2  -5   0 5686.20 78.0225   3
  -2  -5   0 5610.48 70.5213   0
  -2  -5   0 5451.58 78.1726   4
   3  -5   0 274.632 24.6168   7
  -3  -5   0 321.624 22.2643   2
   3  -5   0 313.327 33.0723   6
   3  -5   0 317.435 15.0035   5
   3  -5   0 282.835 23.2662   4
  -3  -5   0 330.531 27.3928   4
   3  -5   0 328.676 18.5853   2
   3   5   0 283.905 26.8422   7
   3  -5   0 308.428 26.3928   3
  -3  -5   0 331.822 29.4635   0
   4  -5   0 27.8911 23.9402   7
   4   5   0 15.2795 25.4426   7
   4  -5   0 11.5178 18.3598   3
   4  -5   0-0.04187 16.9087   2
   4   5   0 12.6212 7.85656   1
   4  -5   0 13.8917 25.4028   6
   4  -5   0 10.9265 12.6380   5
   4  -5   0 1.11218 16.6551   4
  -4  -5   0 16.3622 19.0121   4
   5  -5   0 3005.81 74.0228   6
   5  -5   0 2968.02 65.0265   7
   5   5   0 2963.43 63.7184   7
   5  -5   0 2866.75 55.3667   2
   5  -5   0 2947.27 51.9558   4
  -5  -5   0 2883.72 59.7244   4
   5  -5   0 2935.69 63.0253   3
   6  -5   0 1290.76 49.2804   7
  -6  -5   0 1434.47 45.2368   4
   6  -5   0 1333.60 56.4356   6
   6  -5   0 1394.24 47.2670   2
   6   5   0 1341.28 51.3079   7
   6  -5   0 1307.98 46.7405   3
   7   5   0 29.8433 29.6394   7
  -7  -5   0 15.2891 20.2721   4
   7  -5   0 14.3057 22.8771   3
   7  -5   0 33.0329 28.4413   7
   7  -5   0 60.8248 33.1135   6
   8  -5   0 22.8448 29.9409   6
   8   5   0 40.1688 31.3163   7
   8  -5   0 25.3322 28.7802   7
   8  -5   0 20.3053 20.2339   3
   9   5   0 235.040 43.6397   7
   9  -5   0 252.169 27.4330   3
   9  -5   0 217.602 39.6736   6
   9  -5   0 265.452 40.1821   7
  10  -5   0 4.33364 35.5543   6
  10  -5   0 18.6641 37.1117   7
  10   5   0-12.2000 38.9274   7
  11  -5   0 33.6254 39.6938   6
  11   5   0 39.1679 41.6510   7
  11  -5   0 30.6442 39.3440   7
  12  -5   0 388.235 50.6103   7
  12  -5   0 245.424 51.0651   6
  12   5   0 323.096 52.2259   7
  13   5   0 815.138 72.9335   7
  13  -5   0 811.452 65.0527   6
  13  -5   0 848.263 72.1989   7
  14  -5   0 33.8493 47.1053   7
  14   5   0-8.56457 49.3479   7
  14  -5   0 28.2216 49.4090   6
  15  -5   0-143.794 45.7519   6
  15   5   0-65.3666 58.3579   7
  15  -5   0 18.6250 61.5236   7
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   2  -8   1 325.618 34.5635   4
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   7   0  -2 2906.38 59.5699   7
   6   0  -2 50.7018 19.4479   7
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   4   0  -2 4496.86 75.4920   2
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   2   0   2 83918.0 299.853   1
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   3   0   2 2250.05 46.5610   7
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   8  -1  -2 1582.91 49.5619   7
   8   1  -2 1579.79 52.3510   7
   7  -1  -2 677.293 32.8734   7
   7   1  -2 690.890 36.4396   7
   6  -1  -2 670.397 44.1248   2
   6  -1  -2 716.692 29.0370   7
   6   1  -2 722.092 33.6543   7
   5  -1  -2 353.198 20.6234   7
   5  -1  -2 303.329 37.4721   2
   5   1  -2 322.469 23.6783   7
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   4   1  -2 4419.21 76.2092   2
   4  -1  -2 4401.72 49.0053   7
   4   1  -2 4491.32 58.0787   7
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   4  -1  -2 4131.96 73.1736   2
   3   1  -2 3468.70 61.7715   2
   3  -1  -2 3469.98 62.5586   2
   3  -1  -2 3548.42 37.0132   7
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   3   1  -2 3566.05 49.7472   7
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   2   1  -2 10477.8 91.1740   2
   2  -1  -2 10748.4 94.6738   2
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   2  -1   2 40.1477 16.7257   7
   2   1   2 14.1349 25.6424   1
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   3   1   2 676.094 36.2557   1
   3  -1   2 651.582 30.6395   5
   3  -1   2 586.397 31.6980   7
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   6   1   2 38.9558 24.0553   7
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   8   1   2 862.677 51.5370   7
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   9   2  -2 37.0862 29.5937   7
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   7  -2  -2 97.3130 41.0711   2
   7   2  -2 142.664 27.6210   7
   7  -2  -2 142.409 22.1874   7
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   6   2  -2 1924.45 51.1762   7
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   5  -2  -2 108.375 32.5068   2
   5  -2  -2 107.800 16.2241   7
   5   2  -2 101.558 23.5367   7
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   4   2  -2 19114.7 126.242   7
   4  -2  -2 18663.8 145.439   2
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   3   2  -2 1660.85 39.9465   7
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   3   2  -2 1544.73 43.1804   2
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   2   2  -2 24274.6 136.802   2
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   2   2   2 931.943 41.3133   1
   2   2   2 958.889 26.8954   7
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   3  -2   2 143.418 24.8856   5
   3   2   2 105.409 23.5502   1
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   3   2   2 118.467 17.6563   7
   3   2   2 133.970 12.9029   0
   3  -2   2 119.330 23.9100   7
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   4   2   2 2321.48 50.9648   7
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   5  -2   2 497.537 36.0795   7
   5   2   2 495.559 33.2432   7
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   6   2   2 839.951 43.4626   7
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   7  -2   2 1261.97 55.2797   7
   7   2   2 1365.24 53.9897   7
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   8   2   2 430.744 42.3896   7
   8  -2   2 344.973 44.0368   7
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   9   2   2 263.241 48.4401   7
   9  -2   2 290.691 49.6896   7
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  12   3  -2 91.8906 41.6330   7
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   9  -3  -2 2038.48 78.4759   2
   9   3  -2 2372.21 70.4961   7
   9  -3  -2 2216.69 60.7651   7
   8  -3  -2 1131.27 61.2117   2
   8  -3  -2 1182.45 43.1386   7
   8   3  -2 1109.60 49.6749   7
   7   3  -2 2216.90 60.5223   7
   7  -3  -2 2147.62 68.7906   2
   7  -3  -2 2186.09 50.7261   7
   6   3  -2 0.22434 23.8553   7
   6  -3  -2 5.14599 31.1248   2
   6  -3  -2 23.4913 15.8127   7
   5  -3  -2 425.089 39.1792   2
   5  -3  -2 434.136 21.4815   7
   5   3  -2 423.384 31.9523   7
   5  -3  -2 465.216 37.0938   6
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  -4  -3   2 8770.30 115.305   5
   4  -3  -2 8552.72 102.809   2
   4   3  -2 8720.04 94.2061   7
   4  -3  -2 8619.54 103.814   6
   4  -3  -2 8575.74 64.3464   7
   3  -3  -2 2727.47 57.6365   2
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  -3  -3   2 2698.14 64.6137   5
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   3   3  -2 2713.95 53.5930   7
   3  -3  -2 2802.47 58.0255   6
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   2   3  -2 19761.1 124.040   2
   2  -3  -2 18733.2 129.501   2
  -2   3   2 19229.8 93.8165   5
   2  -3  -2 19021.5 135.922   6
  -2  -3   2 19544.4 120.522   1
   1   3  -2 43.5105 16.9386   2
   1  -3  -2 18.3786 22.5286   2
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   1  -3  -2 43.0908 21.4623   6
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   1   3  -2 40.3909 23.1061   1
   0  -3   2 5683.69 76.5739   5
   0   3   2 5569.60 53.5847   5
   0  -3  -2 5810.73 72.4406   2
   0   3  -2 5726.11 78.8752   1
   0  -3  -2 5649.28 71.0950   6
   0   3  -2 5700.49 51.1522   2
   1  -3   2 4.92575 12.9764   0
   1  -3   2-0.29181 23.0815   5
   1  -3   2 7.38613 11.4346   6
   1   3   2 2.66846 9.81730   7
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   2   3   2-0.93100 15.7276   0
   2  -3   2 3.99971 24.4813   7
   2  -3   2-7.09925 22.2251   5
   2   3   2 5.08412 13.5274   7
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   2  -3   2-2.55647 12.7317   6
   2  -3   2 2.23206 12.5341   0
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   3  -3   2 1715.77 37.8264   6
   3  -3   2 1585.60 45.1572   5
   3  -3   2 1746.97 50.9720   7
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   3   3   2 1696.51 51.4310   1
   3   3   2 1663.37 39.5929   7
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  -3   3  -2 1712.31 26.3796   0
   3   3   2 1680.39 32.9088   0
   4  -3   2 19467.8 161.226   7
   4  -3   2 19007.4 146.107   5
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   4   3   2 19083.0 155.269   1
  -4  -3  -2 19509.3 139.369   2
   4   3   2 19384.9 136.376   7
   4  -3   2 18943.2 128.639   6
  -4   3  -2 19474.9 85.1243   0
  -5  -3  -2 1882.46 39.1090   0
   5  -3   2 1833.88 53.0812   5
   5  -3   2 1874.63 59.3255   7
   5   3   2 1852.96 50.6235   7
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   5  -3   2 1872.24 47.4150   6
   6   3   2 4726.73 83.1563   7
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   6  -3   2 4575.79 90.4043   7
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   8  -3   2 1038.27 57.8099   7
   8   3   2 982.721 52.3638   7
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   9   3   2 2944.63 84.0559   7
   9  -3   2 2818.23 91.0467   7
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   9   4  -2 113.683 35.5746   7
   9  -4  -2 158.690 45.2992   2
   8  -4  -2 1053.29 43.4634   7
   8  -4  -2 1021.60 57.9784   2
   8   4  -2 1083.39 52.4247   7
   8  -4  -2 1027.14 59.0058   6
   7  -4  -2 2762.16 75.6005   2
   7   4  -2 2779.07 69.1169   7
   7  -4  -2 2756.56 57.6428   7
   7  -4  -2 2671.32 78.2066   6
   6  -4  -2 373.298 38.7413   2
   6  -4  -2 406.249 25.0434   7
   6  -4  -2 392.775 20.7739   4
   6   4  -2 419.036 33.8982   7
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   6  -4  -2 440.943 42.3441   6
   5  -4  -2 705.623 41.5703   2
   5  -4  -2 683.044 26.4552   7
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   5   4  -2 703.073 38.0422   7
   5  -4  -2 734.136 45.2409   6
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   4  -4  -2 2869.46 40.8562   7
   4  -4  -2 2865.73 64.1111   2
   4   4  -2 2854.82 61.9708   7
   4  -4  -2 2870.94 68.9971   6
   3  -4  -2 1060.94 43.1851   2
   3  -4  -2 1077.88 43.3858   6
   3   4  -2 1049.03 39.4464   7
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   3  -4  -2 1027.84 21.6630   7
   2  -4  -2 9694.62 99.8709   2
   2  -4  -2 10001.3 110.736   6
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   2   4  -2 9764.25 87.3472   1
  -1   4   2 2239.34 30.5122   5
   1  -4  -2 2244.11 54.5157   6
   1   4  -2 2177.35 38.8053   2
   1  -4  -2 2216.90 49.7226   2
   1   4  -2 2293.09 49.4652   1
  -1  -4   2 2272.78 56.2864   5
   0   4   2 11298.8 72.0525   5
   0  -4   2 10993.4 108.077   5
   0  -4  -2 11147.6 111.785   6
   0  -4  -2 11416.9 102.639   2
   0   4  -2 11083.9 66.5461   2
   1  -4   2 696.680 25.7080   0
   1  -4   2 728.113 36.2857   5
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   1   4   2 725.384 20.1038   7
   2  -4   2 9796.96 76.9268   0
   2  -4   2 10040.5 102.744   5
   2   4   2 9920.53 78.0968   7
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   2   4   2 9988.25 86.3439   0
   2  -4   2 9937.48 90.3830   6
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   3   4   2 175.876 19.0088   7
   3  -4   2 182.262 33.0781   7
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   3   4   2 174.645 21.1715   0
   3   4   2 171.174 27.7521   1
   3  -4   2 164.703 27.8714   5
   3  -4   2 175.260 20.9846   6
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   4  -4   2 29400.4 207.500   7
   4   4   2 29282.0 193.252   1
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   4  -4   2 29562.6 185.688   5
   4  -4   2 29467.1 176.058   6
   4   4   2 29161.4 169.055   7
   5  -4   2 1235.84 46.1400   5
   5  -4   2 1197.31 53.0639   7
   5   4   2 1205.36 44.4499   7
   5  -4   2 1202.48 43.3760   6
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   5   4   2 1160.60 46.9159   1
   6   4   2 1708.78 53.7101   7
   6  -4   2 1668.16 63.3786   7
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   6  -4   2 1675.63 52.5522   6
   6  -4   2 1744.25 54.6374   5
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   7  -4   2 440.921 43.7628   7
   7  -4   2 393.804 36.1091   5
   7  -4   2 424.142 35.4566   6
   7   4   2 395.027 37.8386   7
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   8  -4   2 117.414 29.8228   6
   8  -4   2 122.892 40.7768   7
   8   4   2 132.550 35.9765   7
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   9   4   2 2347.64 78.7435   7
   9  -4   2 2395.72 86.2560   7
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  12   4   2 40.6887 43.1254   7
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   9  -5  -2 8.07882 40.7936   2
   9  -5  -2 37.1595 27.6296   7
   9   5  -2 66.9380 38.0661   7
   8  -5  -2-3.74699 23.3295   7
   8  -5  -2 2.37873 36.0140   2
   8   5  -2-4.75348 30.7789   7
   8  -5  -2 18.8483 40.5368   6
   7  -5  -2-9.75333 38.7329   6
   7  -5  -2 3.62867 20.4703   7
   7   5  -2-5.76466 31.1417   7
   7  -5  -2 18.0414 35.5521   2
   6  -5  -2 244.534 23.1475   7
   6  -5  -2 253.704 36.1245   2
   6  -5  -2 277.938 20.8946   4
   6  -5  -2 209.715 41.1207   6
   6   5  -2 231.042 34.1236   7
   5  -5  -2 1486.08 53.9878   2
   5   5  -2 1490.59 50.9556   7
   5  -5  -2 1445.79 37.0613   7
   5  -5  -2 1535.58 41.3299   4
   5  -5  -2 1467.75 58.3154   6
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   4  -5  -2 2603.94 62.5664   2
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   4  -5  -2 2595.14 43.1918   7
   4   5  -2 2505.51 61.6532   7
   4  -5  -2 2605.11 70.6256   6
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   3   5  -2 1011.56 30.1964   1
   3  -5  -2 1022.44 42.6909   2
   3  -5  -2 1124.89 51.4459   6
   3   5  -2 1011.65 42.2886   7
   2   5  -2 7094.26 78.7220   1
   2  -5  -2 7049.78 88.8739   2
   2  -5  -2 7232.05 103.532   6
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   1   5  -2 2052.47 38.0152   2
   1  -5  -2 2103.43 52.2267   2
   0  -5   2 2677.60 61.3053   5
   0  -5   2 2665.74 48.4268   0
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   0   5   2 2744.09 33.7706   7
   1  -5   2 1469.12 46.9571   5
   1   5   2 1490.46 29.8643   7
   1  -5   2 1552.33 38.5845   0
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   2   5   2 2899.93 46.0670   7
   2  -5   2 3001.52 63.0172   5
   2   5   2 2923.31 54.1635   0
   2  -5   2 3040.48 58.8749   6
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   3  -5   2 38.3860 20.7527   6
   3  -5   2 18.5947 29.2722   7
   3  -5   2 44.7055 26.1222   5
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   3   5   2 39.8419 22.9153   0
   3   5   2 35.2246 18.0130   7
   4   5   2 9805.05 116.445   1
   4  -5   2 9373.31 127.218   7
   4   5   2 9372.07 98.9585   7
   4  -5   2 9533.51 112.680   6
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   4  -5   2 9374.97 109.565   5
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   5   5   2 243.291 28.5018   7
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   5  -5   2 254.624 31.5326   5
   5  -5   2 266.509 39.2690   7
   5  -5   2 258.124 28.5673   6
   5   5   2 267.911 31.4935   1
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   6  -5   2 218.590 30.8687   6
   6  -5   2 208.146 30.5947   5
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   6  -5   2 173.870 40.2301   7
   6   5   2 197.986 31.1820   7
   7  -5   2 418.119 45.1100   7
   7   5   2 439.724 36.7095   7
   7  -5   2 458.168 39.7512   6
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   7  -5   2 480.768 40.2903   5
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   8   5   2-4.16506 32.3507   7
   8  -5   2-22.2385 29.2108   6
   8  -5   2-4.73834 23.8381   3
   8  -5   2 28.7240 29.2778   5
   8  -5   2-24.1592 36.4033   7
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   9  -5   2 151.470 42.1752   5
   9  -5   2 176.079 31.3509   3
   9  -5   2 84.5594 46.4304   7
   9   5   2 159.782 45.3745   7
   9  -5   2 177.767 37.4631   6
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  15   5   2 96.0046 66.1842   7
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   9  -6  -2 78.7088 43.2495   6
   9  -6  -2 92.8417 44.3283   2
   9   6  -2 53.4903 41.2699   7
   8  -6  -2 196.219 49.3397   6
   8  -6  -2 174.818 28.2761   7
   8   6  -2 208.962 39.8181   7
   8  -6  -2 132.808 40.1631   2
   7  -6  -2 744.609 50.1460   2
   7   6  -2 680.860 47.6973   7
   7  -6  -2 733.191 57.0070   6
   7  -6  -2 733.767 35.7953   7
   6  -6  -2 7194.80 130.004   6
   6  -6  -2 7061.54 108.917   2
   6   6  -2 7074.32 109.256   7
   6  -6  -2 6878.40 87.4711   7
   6  -6  -2 7029.70 88.9299   4
   5  -6  -2 619.746 41.5593   2
   5  -6  -2 587.437 50.3342   6
   5  -6  -2 574.096 29.1358   7
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   5   6  -2 594.713 42.0130   7
   5  -6  -2 563.099 32.1093   4
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   4  -6  -2 13319.4 160.138   6
   4  -6  -2 12656.2 127.500   2
   4  -6  -2 13177.6 126.203   4
   4   6  -2 12793.7 137.408   7
  -4  -6   2 13427.5 108.434   3
  -3  -6   2 126.787 18.9922   3
   3  -6  -2 115.147 29.6367   2
   3  -6  -2 105.854 33.0297   6
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   3   6  -2 85.2921 18.8232   1
   3   6  -2 109.189 31.9080   7
   2  -6  -2 15849.0 133.873   2
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   2  -6  -2 15745.1 164.322   6
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   1  -6  -2 3308.08 63.8791   2
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   0   6   2 893.539 24.4260   7
   0  -6  -2 923.905 39.3245   2
   0  -6  -2 884.130 47.1188   6
   0  -6   2 901.521 38.4216   0
   1  -6   2 2318.08 59.4167   5
   1  -6   2 2366.96 50.3867   0
   1   6   2 2426.97 41.0707   7
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   2  -6   2 313.959 30.4084   6
   2   6   2 315.045 32.9283   0
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   2  -6   2 300.301 31.6174   5
   2   6   2 288.881 22.5588   7
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   3  -6   2 3381.87 68.8887   5
   3   6   2 3275.07 57.0825   7
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   3  -6   2 3375.28 71.7142   6
   3   6   2 3385.35 62.4139   0
   4   6   2 2423.08 61.5057   1
   4  -6   2 2491.54 61.5385   5
   4   6   2 2469.32 55.0906   7
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   4  -6   2 2464.68 73.1645   7
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   4  -6   2 2501.25 65.1247   6
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   5  -6   2 112.631 29.1555   5
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   5   6   2 118.712 26.2947   7
   5   6   2 106.949 27.1192   1
   5  -6   2 113.617 38.1952   7
   5  -6   2 128.745 29.6538   6
   6  -6   2 1076.38 61.6562   7
   6  -6   2 1060.69 48.2978   5
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   8  -6   2 132.104 36.1303   6
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   8   6   2 123.274 35.6609   7
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   8  -6   2 62.7699 41.4818   7
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   3   7  -2 10295.0 93.6445   1
   3  -7  -2 10618.0 125.226   4
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   3   7   2 13.5009 22.9980   0
   3   7   2 16.2523 19.7351   7
   3  -7   2 11.4440 24.4412   6
   4  -7   2 2421.30 67.9197   3
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   7   7   2 175.834 35.6907   7
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   8  -7   2 79.8615 49.1570   7
   8   7   2 64.2075 36.8286   7
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   9   7   2 1928.51 73.9502   7
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   6  -8  -2 488.041 56.3180   6
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   5  -8  -2-11.9896 30.3808   2
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   3  -8  -2 7021.10 99.0170   2
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   3  -8  -2 7074.92 132.475   6
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   6  -8   2 100.112 33.4659   3
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   3  -9   2-0.36621 30.3826   3
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   3   9   2 2.65743 21.9633   7
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   4   9   2 924.425 43.0185   7
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   5  -9   2 849.422 45.7762   5
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   5   9   2 834.655 44.5737   7
   5  -9   2 875.974 54.4078   6
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   6   9   2 769.781 45.9065   7
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   7   9   2 112.706 37.7113   7
   7  -9   2 158.492 40.7359   3
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   7  -9   2 177.378 53.0635   7
   7  -9   2 183.452 45.7290   6
   8  -9   2 59.6905 37.0470   3
   8  -9   2-88.9278 48.5778   7
   8   9   2-24.8113 36.5397   7
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   8  -9   2-6.87947 40.0244   6
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   9  -9   2-4.80785 54.9029   7
   9   9   2 31.0959 42.7664   7
   9  -9   2 72.8445 36.7517   6
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  11   9   2-16.1830 38.6590   7
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   5   1  -3 1433.71 59.6295   2
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   4   1  -3 1187.40 35.5854   7
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   3  -1  -3 9008.18 62.2908   7
   3  -1  -3 8986.24 107.644   2
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   2   1   3 34551.8 170.105   7
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   3  -1   3 30071.2 194.181   5
   3   1   3 30512.9 188.277   5
   3   1   3 30516.2 174.485   7
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   3  -1   3 30380.2 190.378   7
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   3   1   3 30378.1 93.4126   0
   3   1   3 29503.7 224.830   1
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   4  -1   3 18295.6 159.671   5
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   4   1   3 18607.0 149.937   7
   5  -1   3 520.314 39.4123   5
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   5  -1   3 526.440 39.1216   7
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   6  -1   3 840.950 47.9025   7
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   6   1   3 742.856 43.8039   7
   7   1   3 127.031 37.2526   7
   7  -1   3 96.3940 37.9698   7
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   8  -1   3-15.8189 47.1880   7
   8   1   3 47.2832 43.2653   7
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   9  -1   3 8937.42 154.911   7
   9   1   3 9183.72 150.495   7
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  10   1   3 702.277 60.2230   7
  11  -1   3 147.995 52.5915   7
  11   1   3 168.071 56.5288   7
  12  -1   3 15.9792 56.8744   7
  12   1   3-21.8489 50.9036   7
  13  -1   3 194.926 55.9524   7
  13   1   3 129.595 60.8331   7
  14  -1   3 95.2846 58.6629   7
  14   1   3 118.621 65.0160   7
  15  -1   3 99.6348 65.4590   7
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   9  -2  -3 3827.25 105.225   2
   9   2  -3 4237.12 86.8914   7
   9  -2  -3 4238.83 78.7831   7
   8  -2  -3 2788.53 87.3168   2
   8  -2  -3 2822.69 59.7202   7
   8   2  -3 2811.10 67.9906   7
   7   2  -3 212.892 45.8424   2
   7   2  -3 243.400 31.7520   7
   7  -2  -3 261.054 23.8178   7
   7  -2  -3 180.551 40.8122   2
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   6   2  -3 2433.21 75.6677   2
   6  -2  -3 2269.66 72.2169   2
   6  -2  -3 2514.54 45.3143   7
   6   2  -3 2489.42 57.1873   7
  -5   2   3 928.123 41.2366   5
   5   2  -3 832.657 49.1432   2
   5  -2  -3 901.624 52.2572   2
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   5  -2  -3 932.364 26.7233   7
   5   2  -3 826.639 35.4612   7
  -4  -2   3 9430.62 124.354   5
   4  -2  -3 9273.02 62.5759   7
   4   2  -3 9231.76 115.719   2
   4  -2  -3 8902.81 115.371   2
  -4   2   3 9421.55 103.235   5
   4   2  -3 9416.17 96.9639   7
   4  -2  -3 9455.23 108.518   6
  -3  -2   3 7437.88 95.1938   1
  -3  -2   3 7476.68 108.052   5
  -3   2   3 7451.07 87.0842   5
   3   2  -3 7717.06 98.2243   2
   3  -2  -3 7233.65 98.4292   2
   3  -2  -3 7741.03 90.7707   6
   3   2  -3 7463.31 83.2245   7
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   2   2  -3 4101.73 67.7080   2
   2  -2  -3 3850.37 71.1743   2
   2  -2  -3 4104.09 62.0448   6
   1  -2  -3 7658.23 78.2396   6
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   1   2  -3 7592.92 83.3059   2
   1  -2  -3 7796.46 96.3127   2
   0  -2   3 241.984 32.7381   5
   0   2   3 249.617 23.9434   5
   0   2  -3 264.951 24.2792   2
   0  -2  -3 230.643 31.3208   2
   0  -2   3 261.997 35.5727   1
   0   2   3 255.444 15.0276   7
   0   2  -3 215.339 29.2034   1
   0  -2  -3 273.731 18.8991   6
   1  -2   3 6080.48 88.1400   5
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  -1  -2  -3 5937.54 82.1878   2
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   1   2   3 5974.12 60.6870   7
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   2  -2   3 150.526 35.2389   5
   2   2   3 180.093 27.1369   5
   2  -2   3 125.273 31.7641   7
   2   2   3 156.641 21.5052   7
   2   2   3 122.812 33.7935   1
  -2   2  -3 144.194 33.1334   1
   3  -2   3 4216.24 44.9243   6
   3   2   3 4521.73 77.2230   5
   3   2   3 4246.47 65.9157   7
   3   2   3 4318.67 91.0039   1
   3  -2   3 4269.75 80.1749   7
   3   2   3 4390.87 46.2705   0
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   3  -2   3 4377.93 81.6189   5
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   4  -2   3 5259.97 91.1363   7
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   4   2   3 5237.27 79.9303   7
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   4  -2   3 5219.52 89.7639   5
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   4   2   3 5184.56 98.4235   1
   4  -2   3 5000.12 57.5777   6
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   5  -2   3 123.345 33.3614   5
   5  -2   3 173.369 36.2041   7
  -5   2  -3 145.992 19.9127   2
   5   2   3 157.773 25.5705   7
   6  -2   3 123.078 34.0686   5
   6  -2   3 136.326 35.0829   7
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   6   2   3 98.4014 28.8522   7
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   7  -2   3 967.212 52.8448   5
   7   2   3 1030.91 51.7702   7
   7  -2   3 1085.22 58.4518   7
  -7  -2  -3 1081.48 47.6575   2
  -7   2  -3 1065.81 39.4742   2
   8  -2   3 7866.51 140.270   7
   8   2   3 7638.51 126.243   7
  -8  -2  -3 7628.84 111.893   2
   9  -2   3 53.1900 56.4728   7
   9   2   3 34.5247 43.3451   7
  -9  -2  -3 52.3421 39.9953   2
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  10   2   3 2350.77 86.1037   7
  11   2   3 848.866 66.7270   7
  11  -2   3 903.169 75.5153   7
  12  -2   3 84.1035 60.4663   7
  12   2   3 53.2897 52.4415   7
  13  -2   3 127.396 50.6142   7
  13   2   3 233.410 58.1772   7
  14  -2   3 139.958 68.1064   7
  14   2   3 11.5868 54.7190   7
  16   3  -3-178.131 60.8925   7
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  15   3  -3 95.6581 54.7627   7
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  14   3  -3 96.1291 50.6083   7
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  13   3  -3 65.8253 47.3447   7
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  12   3  -3 1.91982 34.5998   7
  12  -3  -3-21.2652 57.3442   2
  11   3  -3 59.4633 37.0453   7
  11  -3  -3-9.72961 53.4203   2
  10  -3  -3 1209.24 77.5204   2
  10   3  -3 1265.18 60.3788   7
   9  -3  -3 1718.48 78.1972   2
   9   3  -3 1882.07 63.4559   7
   8  -3  -3 2365.90 83.1660   2
   8  -3  -3 2490.49 54.9271   7
   8   3  -3 2444.33 68.0494   7
   7  -3  -3 1183.05 63.0973   2
   7  -3  -3 1237.49 36.2406   7
   7   3  -3 1278.42 48.9404   7
   6  -3  -3 107.051 34.0526   6
   6   3  -3 37.9955 41.1720   2
  -6  -3   3 59.4317 42.8609   5
   6  -3  -3 101.705 16.3962   7
   6   3  -3 90.5760 26.3757   7
   6  -3  -3 70.1575 37.1040   2
  -5   3   3 4189.53 71.9954   5
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   5   3  -3 4059.82 87.3725   2
   5   3  -3 4097.32 73.6230   7
   5  -3  -3 4010.01 46.8606   7
   5  -3  -3 4175.64 88.0365   2
   5  -3  -3 4225.92 84.6331   6
  -4   3   3 458.147 28.8253   5
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  -4  -3   3 426.725 31.0746   1
   4   3  -3 406.702 30.5426   7
   4   3  -3 424.500 38.8953   2
   4  -3  -3 481.397 41.6219   2
   4  -3  -3 437.144 14.4358   7
   4  -3  -3 404.893 33.5186   6
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  -3   3   3 11876.4 102.719   5
   3   3  -3 11419.2 111.415   7
   3   3  -3 11424.1 116.480   2
   3  -3  -3 11648.2 126.502   2
  -3  -3   3 12003.4 117.779   1
   3  -3  -3 11699.8 120.238   6
  -2  -3   3 806.849 47.0137   5
  -2   3   3 796.562 30.8619   5
   2   3  -3 773.954 36.1381   2
   2  -3  -3 780.652 43.8625   2
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   2  -3  -3 947.318 38.1966   6
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   1   3  -3 15218.2 141.320   1
  -1   3   3 14599.6 109.095   5
   1   3  -3 15282.7 113.572   2
   1  -3  -3 15364.8 136.798   2
  -1  -3   3 14779.3 138.813   1
   1  -3  -3 15124.3 122.227   6
   0  -3   3 4680.36 82.4220   5
   0   3   3 4557.76 63.6916   5
   0   3  -3 4812.52 87.2489   1
   0   3  -3 4635.63 61.4559   2
   0  -3  -3 4375.46 75.5190   2
   0  -3  -3 4664.73 67.7372   6
   1  -3   3 1015.17 43.8545   5
   1   3   3 983.416 34.6645   5
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   1   3   3 939.405 25.6184   7
   2   3   3 13435.7 149.495   1
   2  -3   3 13504.0 135.131   5
   2   3   3 13541.4 117.215   5
   2  -3   3 13316.5 75.3397   0
  -2  -3  -3 13553.5 125.193   2
   2   3   3 13504.3 98.6344   7
  -2   3  -3 13388.6 92.0256   2
  -2   3  -3 13699.1 156.311   1
   2  -3   3 13723.7 139.829   7
   3  -3   3 277.779 34.1993   5
   3   3   3 306.776 22.0994   0
   3  -3   3 293.096 34.4478   7
  -3  -3  -3 293.320 31.8757   2
  -3   3  -3 308.450 20.3537   2
   3   3   3 347.380 26.3777   7
  -3   3  -3 453.025 47.2015   1
   3   3   3 292.508 42.0379   1
   3  -3   3 315.805 18.6530   6
   4  -3   3 23856.6 188.237   5
   4  -3   3 23478.9 135.305   6
  -4  -3  -3 23481.8 167.933   2
   4   3   3 23588.8 160.431   7
   4  -3   3 24015.8 196.249   7
  -4   3  -3 23336.1 126.725   2
   4   3   3 23987.3 205.251   1
   5  -3   3 1061.28 51.8327   5
   5   3   3 1247.69 45.8727   7
   5  -3   3 1079.20 36.1465   6
   5  -3   3 1192.80 55.6941   7
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   5   3   3 1181.92 55.5389   1
  -5   3  -3 1128.52 33.2233   2
   6  -3   3-9.05496 16.3618   6
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   6  -3   3 4.92303 28.6536   5
   6  -3   3 2.28009 35.5326   7
   6   3   3-1.76075 26.5921   7
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   7  -3   3 1513.06 62.3714   5
   7  -3   3 1501.54 67.2512   7
   7   3   3 1397.04 57.2182   7
  -7  -3  -3 1519.89 56.1548   2
  -7   3  -3 1584.82 44.3164   2
   7  -3   3 1500.33 49.1226   6
   8  -3   3 243.278 45.7131   5
   8  -3   3 275.023 53.0693   7
   8   3   3 205.127 43.6546   7
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   9  -3   3 11066.2 161.513   5
   9  -3   3 11577.2 179.757   7
   9   3   3 11324.2 159.984   7
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  10  -3   3 1759.17 84.4121   7
  11  -3   3 75.3330 50.3443   7
  11   3   3 12.0811 43.3440   7
  12  -3   3 35.7571 51.1812   7
  12   3   3-13.9185 41.7374   7
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  13   3   3-26.7129 51.6881   7
  14  -3   3 175.206 66.8742   7
  14   3   3 154.832 63.7178   7
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   9  -4  -3 142.316 51.6809   6
   9  -4  -3 187.979 54.7613   2
   9   4  -3 188.182 42.8962   7
   8  -4  -3 308.674 51.7972   2
   8  -4  -3 257.741 45.5236   6
   8   4  -3 307.049 41.3790   7
   7  -4  -3-13.5984 35.1799   6
   7   4  -3-5.42601 30.6991   7
   7  -4  -3 40.3417 43.3772   2
   6  -4  -3 17.3272 32.3247   6
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   6   4  -3 17.9354 28.2193   7
   6  -4  -3 32.2320 36.5166   2
   5  -4  -3 73.6175 33.5872   6
   5   4  -3 87.0659 39.3452   2
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   5  -4  -3 77.8246 12.9549   7
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   5   4  -3 51.7632 26.9736   7
   5  -4  -3 67.6006 32.2507   2
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   4   4  -3 8819.71 114.857   2
   4   4  -3 8881.05 109.424   7
   4  -4  -3 8894.42 119.189   2
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   4  -4  -3 8999.93 120.113   6
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   3   4  -3 2429.37 59.4171   2
   3  -4  -3 2304.42 64.4725   2
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   3  -4  -3 2427.35 64.7467   6
   2   4  -3 1631.02 49.2844   1
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   2   4  -3 1717.11 47.2686   2
   2  -4  -3 1685.19 58.4798   2
   2  -4  -3 1628.82 51.5583   6
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   1   4  -3 4454.67 82.1570   1
   1   4  -3 4325.11 61.2958   2
   1  -4  -3 4438.35 79.1084   2
   1  -4  -3 4446.06 76.5146   6
   0  -4   3 6211.88 96.9713   5
   0   4   3 6225.77 70.9630   5
   0   4  -3 6261.54 67.0048   2
   0  -4  -3 6250.49 88.3156   6
   0  -4  -3 6250.98 91.0664   2
   0   4  -3 6271.94 99.1786   1
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  -1  -4  -3 93.2003 30.7030   2
   1  -4   3 111.392 31.3353   5
  -1   4  -3 142.310 17.8949   2
   1   4   3 128.161 22.2008   5
   1   4   3 134.976 14.0007   7
   2  -4   3 2108.84 37.7041   0
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   2  -4   3 2107.04 61.5115   5
   2   4   3 2095.70 40.4611   7
   2  -4   3 1909.50 38.6044   6
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   3   4   3 249.981 23.7881   0
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   3  -4   3 272.677 36.3822   5
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   3   4   3 292.628 25.9259   7
   3  -4   3 233.470 37.4569   7
   3  -4   3 251.115 20.4184   6
   3   4   3 213.119 35.4572   1
   4  -4   3 397.587 41.5641   5
   4   4   3 446.107 25.6185   0
   4   4   3 440.615 39.4055   1
   4  -4   3 396.030 42.9267   7
   4   4   3 395.431 29.1473   7
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  -4   4  -3 390.438 20.4327   2
   4  -4   3 383.353 26.2222   6
   5  -4   3 1732.27 59.8774   5
   5  -4   3 1786.06 66.2301   7
   5  -4   3 1677.92 47.5447   6
   5   4   3 1773.53 63.6076   1
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   5   4   3 1642.52 51.1884   7
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   6  -4   3 577.900 41.9559   5
   6  -4   3 615.083 49.9149   7
   6   4   3 640.630 41.3490   7
   6  -4   3 631.821 34.0859   6
  -6   4  -3 589.449 26.3093   2
   7  -4   3 1953.22 69.2811   5
   7   4   3 2159.57 67.1636   7
   7  -4   3 2085.27 80.4290   7
  -7  -4  -3 2054.56 66.4612   2
   8  -4   3 6708.76 123.742   5
  -8  -4  -3 6361.16 110.936   2
   8  -4   3 6813.75 137.277   7
   8   4   3 6461.90 115.643   7
   9  -4   3 1849.39 76.8060   5
   9  -4   3 1777.18 88.5421   7
   9   4   3 1905.79 75.5909   7
  -9  -4  -3 1911.29 74.3928   2
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  10  -4   3 188.017 48.1544   5
  10  -4   3 238.082 60.8782   7
  10   4   3 195.578 46.7129   7
  11  -4   3 21.7553 42.9817   5
  11  -4   3 13.3705 49.1942   7
  11   4   3 28.5417 40.3041   7
  12  -4   3 147.481 44.1202   5
  12  -4   3 229.283 55.1641   7
  12   4   3 181.252 53.1205   7
  13  -4   3 202.160 51.2787   5
  13  -4   3 246.566 57.5727   7
  13   4   3 147.087 46.1701   7
  14  -4   3 284.988 68.3687   7
  14   4   3 142.326 66.7805   7
  14  -4   3 289.701 58.0977   5
  15  -4   3 171.930 57.5324   5
  16  -5  -3 5.32187 71.5088   2
  16   5  -3 37.6858 54.9963   7
  15  -5  -3 12.2641 46.9364   6
  15   5  -3-84.8598 53.0020   7
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  14  -5  -3-22.4194 52.3124   6
  14   5  -3-64.7176 51.5238   7
  14  -5  -3 23.9534 59.6881   2
  13  -5  -3 83.1715 53.3708   6
  13   5  -3 120.640 42.7315   7
  13  -5  -3 55.8367 58.4916   2
  12  -5  -3-49.1084 51.9880   6
  12   5  -3-36.5356 43.6975   7
  12  -5  -3 10.6055 47.9730   2
  11  -5  -3 147.204 57.5936   6
  11  -5  -3 214.857 52.6995   2
  11   5  -3 228.693 51.3115   7
  10  -5  -3 48.8914 44.8285   6
  10  -5  -3 75.6151 51.1046   2
  10   5  -3 103.616 42.9653   7
   9  -5  -3 1769.17 80.4361   2
   9   5  -3 1825.76 72.0717   7
   9  -5  -3 1818.97 83.8712   6
   8  -5  -3 3164.22 92.6665   2
   8   5  -3 3273.47 84.6100   7
   8  -5  -3 2965.18 96.4797   6
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   4   5   3 346.796 25.5685   0
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   5   5   3 3.80786 22.8596   7
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   6  -6  -3 3350.43 86.5707   2
   6   6  -3 3283.24 80.7281   7
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   4  -6  -3 24405.0 222.629   6
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   3   6  -3 519.088 37.1896   2
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   3   7  -3 563.512 38.2722   2
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   3  -7  -3 477.840 44.0942   2
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   5   7   3 243.547 29.6261   7
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   6  -7   3-24.7160 47.4824   7
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   9  -8  -3 375.515 54.7015   2
   9  -8  -3 414.860 67.0549   6
   9   8  -3 415.978 55.3977   7
   8  -8  -3 238.777 62.0391   6
   8  -8  -3 392.622 58.4623   2
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   7  -8  -3 320.326 63.8968   6
   7  -8  -3 316.410 48.0534   2
   7   8  -3 334.688 48.9004   7
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   6   8  -3-7.46059 35.4184   7
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   5  -8  -3 1161.44 51.4844   4
   5   8  -3 1144.59 59.7679   7
   5  -8  -3 1135.63 60.1547   2
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   4  -8  -3 284.806 40.7686   2
   4   8  -3 240.611 42.2092   7
   4  -8  -3 338.450 45.1261   6
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   3  -8  -3 40.2907 34.9361   2
   3  -8  -3-5.52622 39.7314   6
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   2  -8  -3 127.917 35.0739   2
   2  -8  -3 96.1955 41.0826   6
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   0  -8   3 679.290 39.5977   0
   1  -8   3 150.361 34.9371   5
   1  -8   3 193.187 28.0549   0
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   2   8   3 85.5216 29.4592   0
   2  -8   3 96.2660 36.3728   5
   2   8   3 129.733 20.0630   7
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   3  -8   3 51.0362 34.3228   5
   3   8   3 71.1403 20.9327   7
   3   8   3 29.9397 28.6965   0
   3  -8   3 59.1433 23.8285   6
   4  -8   3 618.857 47.9496   5
   4   8   3 688.285 41.2421   0
   4  -8   3 617.632 43.7358   6
   4   8   3 640.717 36.1427   7
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   5  -8   3 3018.39 83.6124   5
   5   8   3 3211.57 72.3175   7
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   5  -8   3 3216.80 83.8346   6
   6  -8   3 2024.25 73.7595   3
   6  -8   3 2004.46 72.1418   5
   6  -8   3 2033.92 89.0657   7
   6   8   3 2062.95 64.0874   7
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   7  -8   3 141.092 40.6699   3
   7  -8   3 87.3431 56.7452   7
   7  -8   3 88.4564 43.0189   5
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   7   8   3 83.4906 36.5965   7
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   2   3   4 5340.55 71.7374   7
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   3  -3   4 6.01295 34.3503   5
   3   3   4 38.1226 27.2258   5
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   4  -3   4 187.497 40.4045   7
   4   3   4 169.388 26.4125   7
   5  -3   4 457.859 45.0443   5
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   7   4  -4 797.144 47.9083   7
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   5   4  -4 4035.02 91.5062   2
   5  -4  -4 4087.46 98.0880   2
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   5   4  -4 4323.75 85.4303   7
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   4   4  -4 3128.54 73.7832   7
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   3   4  -4 5363.87 91.3478   2
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   2  -4   4 5053.52 102.026   5
   2   4   4 5195.60 85.9782   5
   2   4   4 5203.89 68.6214   7
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   5  -4   4 13.3686 40.3360   7
   5   4   4 50.6307 24.6900   7
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   6  -4   4 28.7094 38.2619   5
   6  -4   4 107.267 47.2369   7
   6   4   4 44.5414 29.1798   7
   7  -4   4 2537.11 85.9765   5
   7  -4   4 2510.86 92.5426   7
   7   4   4 2583.66 77.1301   7
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   8  -4   4 1846.88 81.5720   5
   8  -4   4 1962.62 87.2778   7
   8   4   4 1840.59 70.0251   7
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   9  -4   4 171.091 59.2665   7
   9  -4   4 55.6330 41.7981   5
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   9  -5  -4-5.36196 52.8564   2
   8  -5  -4 256.783 50.5555   6
   8   5  -4 318.013 44.4890   7
   8   5  -4 266.556 56.7483   2
   8  -5  -4 253.800 54.7757   2
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   7   5  -4 965.754 67.0152   2
   7  -5  -4 860.307 62.9898   2
   7   5  -4 811.803 49.5055   7
   7  -5  -4 959.292 62.0313   6
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   6   5  -4 3672.06 95.5827   2
   6  -5  -4 3742.70 100.207   2
   6   5  -4 3740.29 85.7457   7
   6  -5  -4 3821.76 98.2992   6
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   5   5  -4 2237.79 73.9775   2
   5  -5  -4 2171.83 75.9042   2
   5   5  -4 2350.69 69.6325   7
   5  -5  -4 2277.37 76.5220   6
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   4   5  -4 465.108 41.8112   2
   4  -5  -4 407.948 46.1503   2
   4   5  -4 426.334 41.0616   7
   4  -5  -4 504.799 43.4746   6
   3  -5  -4 6.18757 42.0834   2
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   3   5  -4 54.4398 30.9910   2
   3  -5  -4 38.8789 28.4944   6
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   2   5  -4 6044.10 88.4682   2
   2  -5  -4 6113.32 107.580   2
   2  -5  -4 5803.08 100.318   6
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   2   1   5 1.71600 23.3554   7
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   2   1   5 20.9135 31.0510   5
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   4   1   5 105.477 32.5045   7
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   5   1   5 128.946 44.5723   5
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   7   1   5 56.8427 45.7465   5
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   7   1   5 22.2991 35.4630   7
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   8   1   5-7.58726 47.9954   5
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   9   1   5 156.603 52.4978   5
   9  -1   5 81.8161 48.7795   7
   9   1   5 139.133 46.9417   7
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   8   2  -5 519.434 65.4638   2
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   7   2  -5 321.016 57.2117   2
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   7  -2  -5 382.925 58.6491   2
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   7   2   5 113.764 45.2358   5
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   8   2   5 19.0949 41.9300   5
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   8   2   5 34.8270 42.9684   7
   9   2   5 429.139 58.0321   5
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   9   2   5 404.074 52.4983   7
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   5   3  -5 518.501 49.8946   2
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   4  -3  -5 582.140 40.3505   6
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   3   3  -5 109.779 39.4445   2
   3  -3  -5 94.9757 46.0731   2
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   2  -3  -5 302.775 51.5447   2
   2   3  -5 267.263 36.8896   2
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   1  -3  -5 7.71167 39.3596   2
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   0   3   5 673.228 42.6627   5
   0   3  -5 664.970 40.4413   2
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   1   3   5 514.651 41.1697   5
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   2   3   5 131.938 33.0076   5
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   3  -3   5 2434.85 82.6986   5
   3   3   5 2592.95 76.1280   5
   3   3   5 2303.03 58.4860   7
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   4  -3   5 47.8446 42.6993   5
   4   3   5 39.9705 36.8801   5
   4  -3   5 33.9822 40.4147   7
   4   3   5 36.5456 23.9625   7
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   5  -3   5-21.5726 46.9564   5
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   5   3   5 25.1189 31.1414   7
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   6  -3   5 74.6138 46.1751   5
   6   3   5 83.3196 42.7604   5
   6  -3   5 99.0813 46.5787   7
   6   3   5 37.8903 34.7527   7
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   7  -3   5 217.105 52.6914   5
   7   3   5 287.716 51.8686   5
   7  -3   5 230.602 50.4967   7
   7   3   5 205.499 41.4895   7
   8  -3   5 1034.51 74.7771   7
   8  -3   5 991.544 71.8311   5
   8   3   5 1067.84 68.2340   5
   8   3   5 908.310 62.7342   7
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   9  -3   5 195.271 48.7545   5
   9   3   5 181.471 44.8092   5
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   4  -3  -6 28.0544 54.2322   2
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   6  -3   6 22.1225 53.2813   5
   6   3   6 28.4937 41.3666   5
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   7   3   6-15.8635 44.1477   5
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   8   3   6 154.256 48.0125   5
   8  -3   6 144.924 55.2593   7
   9  -3   6-17.3368 57.6123   5
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   4   9  -6 363.781 57.8711   7
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   3  -9  -6 317.710 58.7335   2
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   7 -10  -6 85.7547 56.7327   2
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   7 -10  -6 260.452 53.5048   6
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   6 -10  -6 124.252 57.6002   2
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   6 -10  -6 63.3439 53.7578   6
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   5 -10  -6 149.818 48.0198   6
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   4 -10  -6 570.155 71.3493   2
   4  10  -6 584.583 71.1535   7
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   8 -11  -6 74.4466 53.0180   2
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   8 -11  -6 187.669 70.5069   6
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   7 -11  -6 113.607 59.7135   2
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   5 -12  -6 113.723 65.9912   6
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   4 -12  -6 119.562 52.1300   2
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   4 -12  -6 102.149 59.9123   6
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   8  13  -6 363.590 67.8719   7
   8 -13  -6 84.3365 76.1737   6
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   7  13  -6-57.0889 53.2284   7
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   6 -13  -6 186.018 74.4387   2
   6  13  -6 315.614 61.4694   7
   6 -13  -6 252.058 71.3956   6
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   5 -13  -6 49.5414 62.3036   2
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   4 -13  -6 204.175 54.8515   2
   4  13  -6 106.076 66.2995   7
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   3 -13   6 367.058 59.2058   3
   3 -13   6 211.057 71.7559   5
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   4 -13   6 245.534 58.2170   3
   4 -13   6 374.668 74.9246   5
   5 -13   6 45.8821 53.7954   3
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   7  14  -6-60.3864 66.3644   7
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   6 -14  -6-103.579 75.0998   6
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   5  14  -6-108.048 60.4978   7
   5 -14  -6 101.850 79.8223   6
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   4 -14  -6 20.5439 68.0008   2
   4  14  -6 13.7836 64.7597   7
   4 -14  -6-79.3921 56.1358   4
   4 -14  -6-12.3582 65.4231   6
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   3 -14  -6 5.79435 54.3531   2
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   2 -14   6 114.146 54.0781   3
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   4 -14   6 194.399 57.7746   3
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   5  15  -6 77.1322 54.2507   7
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   4  15  -6 181.409 67.0785   7
   4 -15  -6 400.001 60.6209   4
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   3  15  -6 29.0373 65.5681   7
   3 -15  -6-86.6576 47.4623   4
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   2 -15  -6 161.656 54.2109   2
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   1 -15  -6-48.9659 46.6305   2
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   1 -15   6 40.9239 51.1250   3
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   2 -15   6 150.100 56.8212   3
   3 -15   6-2.73763 60.5767   3
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   3 -16  -6 109.749 57.0694   4
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   2 -16  -6 363.602 70.7514   4
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   0 -16   6 276.115 61.7287   3
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   1 -16   6 172.160 57.3259   3
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  11   0  -7 59.6508 76.2776   2
  10   0  -7-40.5902 60.2427   2
   9   0  -7 14.5606 55.9916   2
   8   0  -7 77.2453 64.5393   2
  -8   0   7 8.08561 51.0735   5
   7   0  -7 9.05923 55.8678   2
  -7   0   7 84.0569 43.7764   5
   6   0  -7 23.7931 51.1138   2
  -6   0   7 11.8052 40.7679   5
   5   0  -7 31.5455 57.3677   2
  -5   0   7-69.7121 54.9227   5
   4   0  -7 5.76752 55.7420   2
  -4   0   7-36.9015 55.5648   5
   3   0  -7 50.4945 51.6334   2
  -3   0   7 4.81259 53.0976   5
   2   0  -7-4.23105 52.1078   2
  -2   0   7-11.6957 44.0232   5
  -1   0   7 32.0989 50.3347   5
   1   0  -7-40.5432 51.0616   2
   0   0   7 63.9131 58.8528   5
   0   0  -7 17.4003 51.9841   2
   1   0   7 46.9433 54.8292   5
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   2   0   7-30.0740 56.6512   5
  -2   0  -7-29.6169 44.7751   2
   3   0   7-90.5269 55.7040   5
  -3   0  -7 21.4881 36.2726   2
   4   0   7-153.138 50.0008   5
  -4   0  -7 45.2327 42.0580   2
  -5   0  -7-9.31119 42.1415   2
   5   0   7 13.5020 46.2022   5
  -6   0  -7 2.33414 33.6352   2
   6   0   7-129.273 52.8407   5
   7   0   7-15.3501 50.3135   5
   8   0   7 72.0646 54.1275   5
   9   0   7-136.029 51.6162   5
   9   0   7 3.24022 55.1968   7
  10   0   7-49.0909 52.6847   5
  10   0   7-101.896 62.9439   7
  11   0   7-118.941 58.2728   7
  12   1  -7 80.0067 63.0893   2
  12  -1  -7-3.85817 61.0708   2
  11  -1  -7 68.3942 70.3032   2
  11   1  -7 60.8096 64.7580   2
  10  -1  -7-44.2545 66.8970   2
  10   1  -7 51.2638 69.5567   2
   9   1  -7-1.58439 61.9718   2
   9  -1  -7 23.8952 68.1981   2
  -9  -1   7 94.8333 44.1664   5
   8   1  -7 72.9044 63.5960   2
   8  -1  -7 77.1526 60.4024   2
  -8  -1   7 44.2841 42.2921   5
   7   1  -7 85.2071 64.7634   2
   7  -1  -7 29.8208 65.7822   2
  -7  -1   7 154.755 57.2520   5
   6   1  -7 25.0561 58.9264   2
   6  -1  -7 91.2251 58.8100   2
  -6   1   7 12.3257 41.9048   5
  -6  -1   7 13.4827 47.8621   5
   5   1  -7 75.7222 48.9961   2
   5  -1  -7-3.50608 50.4301   2
  -5  -1   7-12.0705 54.7260   5
  -5   1   7-28.0790 48.7149   5
   4   1  -7 60.8935 46.4377   2
   4  -1  -7 36.0638 49.6537   2
  -4  -1   7 13.0378 45.4693   5
  -4   1   7-2.26003 43.0503   5
   3   1  -7-52.5886 52.8525   2
   3  -1  -7 85.3749 55.7631   2
  -3  -1   7 22.0903 56.6233   5
  -3   1   7 1.19705 41.4488   5
  -2  -1   7 2310.83 94.7298   5
  -2   1   7 2273.58 88.8670   5
   2   1  -7 2423.91 90.1291   2
   2  -1  -7 2168.00 91.4393   2
  -1  -1   7 100.751 59.8765   5
  -1   1   7 34.7672 55.9020   5
   1   1  -7 4.36616 47.9464   2
   1  -1  -7 13.7970 53.1223   2
   0  -1   7 2312.36 98.9635   5
   0   1   7 2163.20 90.4792   5
   0   1  -7 2262.80 88.0676   2
   0  -1  -7 2114.22 88.3390   2
   1  -1   7 1312.23 81.2044   5
   1   1   7 1288.67 81.2457   5
  -1   1  -7 1200.75 71.4136   2
  -1  -1  -7 1219.77 72.4367   2
   2  -1   7 203.332 53.4412   5
   2   1   7 248.416 57.6080   5
  -2   1  -7 149.649 50.5052   2
  -2  -1  -7 153.920 54.4859   2
   3  -1   7 26.7184 56.5601   5
   3   1   7-66.5865 43.9839   5
  -3   1  -7-7.07812 33.4359   2
  -3  -1  -7 27.6681 38.6522   2
   4  -1   7 779.219 75.7171   5
   4   1   7 777.131 72.7518   5
  -4  -1  -7 842.863 61.8500   2
  -4   1  -7 770.045 54.5928   2
   5  -1   7 843.715 74.8082   5
   5   1   7 803.221 68.6433   5
  -5  -1  -7 793.292 57.0254   2
  -6  -1  -7 250.264 50.7613   2
   6  -1   7 190.805 59.2229   5
   6   1   7 218.960 53.4219   5
  -7  -1  -7 247.547 50.4027   2
   7  -1   7 155.091 49.4989   5
   7   1   7 226.433 56.9073   5
  -8  -1  -7-114.972 46.3861   2
   8   1   7-75.3819 43.3102   5
   8  -1   7-17.2800 52.6760   7
   9  -1   7 191.564 63.8777   5
   9   1   7 161.628 60.1280   5
   9  -1   7 350.914 56.4766   7
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  10  -1   7 83.9888 57.9839   7
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   7  -2  -7 154.330 66.6119   2
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   1   3   7 2238.26 89.6156   5
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   2   3   7-28.7708 49.3616   5
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   4   3   7 9.23514 49.3917   5
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   6  -3   7 95.2064 48.8011   7
   6  -3   7 59.6752 52.1790   5
   6   3   7 69.9277 44.1818   5
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   7  -3   7 43.5390 55.1494   5
   7   3   7-61.6803 40.1830   5
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   8  -3   7-33.6220 52.5040   5
   8   3   7 36.5605 50.2366   5
   8  -3   7 31.1692 54.6093   7
   9   3   7 7.17325 45.7450   5
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   7   4  -7 157.643 59.4106   2
   7  -4  -7 136.130 58.1573   2
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   0   4   7 49.8225 41.5896   5
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   2   4   7-15.4264 43.0239   5
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   3   4   7-7.09272 42.6202   5
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   4   4   7-17.3719 44.4883   5
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   6   4   7-66.7266 36.0628   5
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   7  -4   7 69.7706 55.6211   5
   7   4   7 170.947 53.1949   5
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   8  -4   7 35.2932 55.6734   5
   8   4   7 64.9093 44.3454   5
   9  -4   7 92.4993 68.7049   5
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   9   4   7-33.9071 51.7545   5
   9  -4   7 21.6695 51.9429   7
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   6   5  -7 92.6230 56.7725   2
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   5  -5  -7 328.432 68.6177   2
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   2   5   7 172.593 43.4093   5
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   3   5   7 71.5451 38.8056   5
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   5  -5   7 488.566 69.4585   5
   5   5   7 223.693 52.1101   5
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   6  -5   7 195.533 62.9832   5
   6   5   7 112.092 44.5426   5
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   7  -5   7 38.0458 51.6969   5
   7   5   7 163.182 46.7420   5
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   8  -5   7-47.1983 52.6631   7
   8  -5   7-86.1650 50.9244   5
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   9   6  -7 44.0927 61.1189   2
   8  -6  -7 8.68164 65.4722   2
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   7  -6  -7 78.1814 67.4941   2
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   7   6  -7 17.6549 57.1550   2
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   5  -6  -7 90.7993 66.2199   2
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   4  -6  -7 530.022 67.8211   2
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   3  -6  -7 234.985 59.6809   2
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   4   6   7 59.2455 46.7342   5
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   5  -6   7 291.496 58.6546   5
   5   6   7 254.564 50.9016   5
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   6  -6   7 215.141 70.5664   5
   6   6   7 71.5608 36.9427   5
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   7  -6   7 63.7440 66.1216   5
   7   6   7 45.4394 41.4060   5
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   8  -6   7-135.131 65.4854   5
   8   6   7-72.2776 52.3272   5
   9  -6   7 87.1884 65.2011   7
   9  -6   7 131.261 69.0810   5
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   9   6   7 56.7602 47.0047   5
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   9  -7  -7 32.0433 70.3903   2
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   9   7  -7-52.0073 61.9924   2
   8  -7  -7 25.7641 56.8349   2
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   5  -7  -7-30.8023 60.8749   2
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   4   7  -7 2.18684 45.1485   7
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   3  -7  -7 34.8470 55.3336   2
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   2  -7  -7-9.34328 57.4111   2
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   1  -7  -7 612.325 67.5733   2
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   0  -7  -7 113.419 60.5406   2
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   3  -7   7 731.397 82.3802   5
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   4  -7   7 337.214 63.7702   5
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   5  -7   7 2.95883 61.9430   5
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   6  -7   7-67.4340 63.4169   5
   6   7   7 78.4970 46.4356   5
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   7  -7   7 161.746 73.3638   5
   7   7   7-46.3126 46.5164   5
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   8  -7   7 150.153 69.0361   5
   8   7   7 0.65103 55.8542   5
   9  -7   7 147.851 56.3975   5
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   9   7   7 269.306 58.0765   5
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   9  -8  -7 3.66157 56.9777   2
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   8  -8  -7 27.6157 70.5533   2
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   7  -8  -7 65.9685 56.6694   2
   6  -8  -7-86.6154 56.3467   2
   6   8  -7-41.7113 43.3395   7
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   5  -8  -7 247.367 63.2504   2
   5   8  -7 306.785 60.3912   7
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   4  -8  -7 63.0624 64.6130   2
   4   8  -7 53.9384 49.6345   7
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   3  -8  -7 413.339 60.5703   2
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   2  -8  -7-22.6703 58.3637   2
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   1  -8  -7 78.8871 57.5967   2
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   2  -8   7 464.809 69.4607   5
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   3  -8   7 64.6515 69.6205   5
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   4  -8   7 490.244 77.8059   5
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   5  -8   7 482.473 81.1002   5
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   6  -8   7 114.398 60.1676   5
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   7  -8   7-178.426 51.0879   5
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   8  -8   7 144.166 55.6079   5
   8   8   7 106.597 42.4992   5
   9  -8   7 75.8733 80.9510   5
   9   8   7 375.290 61.3919   5
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   9  -9  -7-15.2562 73.6635   2
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   8  -9  -7 77.8105 61.9573   2
   7  -9  -7-0.95514 70.7268   2
   7   9  -7-71.6559 50.1002   7
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   6  -9  -7 125.382 66.2692   2
   6   9  -7 40.8769 50.6668   7
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   5  -9  -7 296.055 65.4246   2
   5   9  -7 250.673 58.0455   7
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   4  -9  -7 179.017 65.8085   2
   4   9  -7 217.516 63.2524   7
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   3  -9  -7 120.118 55.4626   2
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   2  -9  -7 36.2956 59.0190   2
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   7  -9   7 136.738 75.3955   5
   8  -9   7 281.599 79.3526   5
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   9 -10  -7 203.766 69.2379   2
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   8 -10  -7-2.30437 69.4296   2
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   7 -10  -7 171.244 63.1563   2
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   6 -10  -7 45.2787 70.6114   2
   6  10  -7-5.04356 55.9020   7
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   4 -10  -7 6.75235 59.5450   2
   4  10  -7 50.5736 49.5418   7
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   3 -10  -7 174.511 63.2954   2
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   3 -10   7 524.882 85.9449   5
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   4  11  -7 55.5406 60.0268   7
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   3 -11  -7 41.0663 67.5595   2
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   3 -11   7 112.810 62.5273   5
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   7 -12  -7-23.9942 54.4222   2
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   6  12  -7 56.1460 66.0121   7
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   5  12  -7 102.565 56.2596   7
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   4  12  -7-166.564 47.6629   7
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   4 -12   7-93.4360 75.1849   5
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   5  13  -7 3.78746 64.2351   7
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   4 -13  -7-52.0872 49.6402   2
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   1 -13  -7 27.8385 57.8214   2
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   2 -13   7 331.541 66.0902   5
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   3 -13   7 175.249 48.8329   3
   4 -13   7 349.765 88.4405   5
   5 -13   7-191.368 78.4796   5
   5 -14  -7-40.7572 65.6164   2
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   4 -14  -7 0.72229 70.0511   2
   4  14  -7-212.159 66.1398   7
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   3 -14  -7-43.6847 71.6482   2
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   2 -14  -7 30.9688 56.8124   2
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   1 -14  -7 94.3552 50.6003   2
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   0 -14   7-137.923 82.8729   5
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   1 -14   7 163.669 82.8630   5
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   2 -14   7 70.7273 86.1316   5
   3 -14   7 92.0524 81.4498   5
   3 -15  -7 134.673 45.7540   2
   2 -15  -7 41.3564 48.9856   2
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   1 -15  -7 28.8349 50.1660   2
   0 -15   7-56.0395 68.2999   5
   1 -15   7-18.6793 72.1627   5
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   9   0  -8-40.0553 64.8176   2
   8   0  -8 54.5624 55.7796   2
   7   0  -8-98.4178 65.0712   2
   6   0  -8 23.1615 67.5160   2
  -6   0   8 37.0132 48.2805   5
   5   0  -8 129.228 63.4388   2
  -5   0   8 142.936 54.7243   5
   4   0  -8 139.612 66.2623   2
  -4   0   8-94.2447 51.5749   5
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   3   0  -8 693.012 75.1207   2
  -2   0   8 1190.23 85.1562   5
   2   0  -8 1048.43 74.3372   2
  -1   0   8 2281.52 99.5576   5
   1   0  -8 2425.50 97.4288   2
   0   0   8 175.246 65.6546   5
   0   0  -8 217.332 58.2509   2
   1   0   8 123.466 57.4541   5
  -1   0  -8 112.031 55.5364   2
   2   0   8 424.896 73.0524   5
  -2   0  -8 198.334 50.9724   2
   3   0   8 141.310 54.9585   5
  -3   0  -8 133.901 42.1915   2
   4   0   8 203.269 60.1551   5
  -4   0  -8 207.971 49.6340   2
   5   0   8 47.4471 45.7370   5
   6   0   8 118.980 61.2013   5
   7   0   8 38.1552 63.6987   5
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  10  -1  -8-27.7381 74.4390   2
   9   1  -8 78.5448 75.0391   2
   9  -1  -8 4.59412 63.8050   2
   8   1  -8-22.2479 64.7189   2
   8  -1  -8 13.0025 71.8528   2
  -8  -1   8 62.1142 56.4271   5
   7   1  -8 105.123 66.2420   2
   7  -1  -8 40.6060 55.8720   2
  -7  -1   8 66.9511 56.8633   5
   6   1  -8 13.2188 60.7571   2
   6  -1  -8 70.8645 59.8401   2
  -6  -1   8 131.026 51.9299   5
   5   1  -8 456.873 72.0680   2
   5  -1  -8 349.256 67.1230   2
  -5  -1   8 362.139 67.3897   5
   4   1  -8 198.027 67.7488   2
   4  -1  -8 168.091 67.0210   2
  -4  -1   8 82.7869 60.0247   5
  -4   1   8 80.6809 55.8361   5
  -3  -1   8 608.326 77.0609   5
  -3   1   8 655.597 62.0090   5
   3   1  -8 783.657 72.2195   2
   3  -1  -8 762.826 75.9303   2
  -2  -1   8 183.128 70.5451   5
  -2   1   8 127.409 52.8066   5
   2   1  -8 166.071 51.5262   2
   2  -1  -8 145.317 55.6208   2
  -1  -1   8 326.362 62.8791   5
  -1   1   8 293.861 54.6765   5
   1   1  -8 399.982 61.6435   2
   1  -1  -8 391.522 66.5680   2
   0  -1   8 618.794 72.9429   5
   0   1   8 616.789 71.9117   5
   0   1  -8 662.870 60.9732   2
   0  -1  -8 701.618 67.6469   2
   1  -1   8-30.1223 59.2596   5
   1   1   8-47.4357 46.3767   5
  -1   1  -8-3.03593 46.2064   2
  -1  -1  -8 34.9372 45.7807   2
   2  -1   8 65.6283 61.5437   5
   2   1   8-28.6727 51.5087   5
  -2   1  -8 9.16433 48.5706   2
  -2  -1  -8-11.6912 44.7401   2
   3  -1   8-71.6379 52.1362   5
   3   1   8-12.5167 58.0360   5
  -3  -1  -8 19.6488 40.2715   2
   4  -1   8 306.607 67.0577   5
   4   1   8 164.394 60.5165   5
  -4  -1  -8 190.743 48.2781   2
  -5  -1  -8 25.7267 39.7962   2
   5  -1   8-87.7562 62.9490   5
   5   1   8-143.539 51.9780   5
   6  -1   8 169.582 60.8019   5
   6   1   8 138.049 63.3061   5
   7  -1   8 90.7861 51.3762   5
   7   1   8-77.0690 57.5194   5
   8  -1   8 56.1507 72.8739   5
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  10  -2  -8 7.31289 60.6736   2
   9   2  -8 116.373 75.6013   2
   9  -2  -8 109.194 73.1941   2
  -9  -2   8-27.2327 61.6509   5
   8   2  -8 68.8598 67.0913   2
   8  -2  -8-107.802 52.0232   2
  -8  -2   8-77.6063 55.2242   5
   7   2  -8 33.2825 55.0090   2
   7  -2  -8-11.8248 69.0686   2
   6   2  -8-9.15403 67.5101   2
   6  -2  -8 44.9381 64.5673   2
  -6  -2   8 187.970 55.7093   5
   5   2  -8 27.7867 60.2783   2
   5  -2  -8-64.1125 62.9624   2
   4   2  -8 0.00000 61.0433   2
  -4  -2   8-26.9770 57.5840   5
   4  -2  -8 23.3270 54.0563   2
   3   2  -8 54.6061 56.1264   2
  -3  -2   8 69.5787 54.2778   5
   3  -2  -8 104.757 56.4389   2
  -2  -2   8 137.670 65.8966   5
  -2   2   8 98.8530 51.3669   5
   2   2  -8 139.070 57.0275   2
   2  -2  -8 34.9282 55.2854   2
  -1  -2   8-94.0359 48.2003   5
  -1   2   8 6.33401 45.9091   5
   1   2  -8 50.8967 51.5728   2
   1  -2  -8 12.1069 59.2210   2
   0  -2   8 414.554 67.2656   5
   0   2   8 376.589 63.6515   5
   0   2  -8 259.816 54.5025   2
   0  -2  -8 343.685 59.2860   2
   1  -2   8 43.2173 60.9618   5
   1   2   8 63.6604 43.6388   5
  -1  -2  -8 23.0496 54.9216   2
   2  -2   8 205.205 62.3749   5
   2   2   8 169.506 47.1294   5
  -2  -2  -8 275.483 59.8481   2
   3  -2   8 35.0233 60.9847   5
   3   2   8 154.156 57.9647   5
  -3  -2  -8-5.39632 47.1412   2
   4  -2   8 1.71857 56.0357   5
   4   2   8 87.7133 53.3153   5
  -4  -2  -8 88.1899 49.4985   2
  -5  -2  -8 31.7783 41.0461   2
   5  -2   8 54.4549 53.0754   5
   5   2   8 7.51349 60.2406   5
  -6  -2  -8 12.0874 39.9388   2
   6  -2   8-103.315 58.4622   5
   6   2   8-40.1262 45.4627   5
  -7  -2  -8 65.9539 52.8036   2
   7  -2   8-36.4735 69.0008   5
   7   2   8-53.9592 46.4520   5
   8  -2   8 27.7539 57.8475   5
   8   2   8-1.32034 61.4147   5
  10   3  -8-117.405 77.8400   2
  10  -3  -8 58.7575 80.7022   2
 -10  -3   8-103.319 64.5493   5
   9   3  -8-18.8936 70.5391   2
   9  -3  -8 16.6754 63.3624   2
   8   3  -8 41.1243 71.9858   2
   8  -3  -8-108.625 70.7220   2
  -8  -3   8 91.1744 58.3939   5
   7   3  -8 25.8072 58.6579   2
   7  -3  -8 24.4857 61.6031   2
  -7  -3   8 213.364 60.2431   5
   6   3  -8 106.166 53.7332   2
   6  -3  -8 4.67486 57.7736   2
  -6  -3   8 48.9679 47.1963   5
   5   3  -8 124.975 60.0108   2
  -5  -3   8 169.838 62.7739   5
   5  -3  -8 188.150 61.3428   2
  -4  -3   8 587.683 82.4151   5
   4   3  -8 410.003 68.4219   2
   4  -3  -8 463.927 76.9978   2
  -3  -3   8 535.316 69.7607   5
   3   3  -8 480.215 59.0544   2
   3  -3  -8 607.555 77.9361   2
  -2  -3   8 250.074 70.6880   5
   2   3  -8 279.615 57.6443   2
   2  -3  -8 253.561 66.9063   2
  -1  -3   8 114.580 66.9792   5
   1  -3  -8 87.0350 63.2848   2
   0  -3   8 154.125 64.7027   5
   0   3   8 132.608 53.4013   5
   0  -3  -8 59.2079 53.4039   2
   1  -3   8 81.2831 61.0640   5
   1   3   8 160.535 45.7544   5
  -1  -3  -8 87.4177 61.7671   2
   2  -3   8-9.74806 61.1404   5
   2   3   8-48.1151 42.3989   5
  -2  -3  -8 40.0238 51.6130   2
   3  -3   8 213.005 70.8378   5
   3   3   8 220.471 57.6709   5
  -3  -3  -8 54.8210 45.1897   2
   4  -3   8 20.0942 65.2390   5
   4   3   8 87.6937 52.3769   5
  -4  -3  -8 39.6800 65.8502   2
  -5  -3  -8 159.980 48.8203   2
   5  -3   8 159.359 62.2144   5
   5   3   8 226.575 61.2998   5
  -6  -3  -8 113.337 46.8686   2
   6  -3   8 67.2464 71.1966   5
   7  -3   8 20.9109 67.6422   5
   7   3   8 124.685 52.6244   5
  -8  -3  -8 15.9193 54.2794   2
   8   3   8 125.966 59.9943   5
  -9  -3  -8 101.024 52.4227   2
  10   4  -8-245.767 81.0875   2
  10  -4  -8-8.73261 75.7353   2
 -10  -4   8-135.238 64.5780   5
   9   4  -8-96.1144 68.1768   2
   9  -4  -8-64.0112 63.3412   2
  -9  -4   8-72.3732 67.5301   5
   8   4  -8 92.8230 71.3328   2
   8  -4  -8 71.3816 77.1889   2
  -8  -4   8 65.3007 68.0794   5
   7   4  -8-90.1128 62.1784   2
   7  -4  -8-25.1922 63.8739   2
   6   4  -8 190.291 63.6020   2
  -6  -4   8 111.961 65.7987   5
   6  -4  -8 158.597 72.7305   2
   5   4  -8 49.2146 51.1537   2
  -5  -4   8 137.785 55.9791   5
   5  -4  -8 111.982 66.4862   2
  -4  -4   8 88.5683 71.7312   5
   4  -4  -8 40.9011 61.4607   2
  -3  -4   8 95.3788 59.4752   5
   3  -4  -8 81.4211 60.8484   2
  -2  -4   8 416.053 74.7305   5
   2  -4  -8 412.569 74.7070   2
  -1  -4   8 231.463 68.5640   5
   1  -4  -8 146.920 61.4846   2
   0  -4   8 74.3870 67.1504   5
   0  -4  -8 2.32013 50.8001   2
   1  -4   8-2.66671 59.0547   5
  -1  -4  -8-2.47813 60.7154   2
   2  -4   8 224.742 73.1578   5
   2   4   8 207.092 48.5742   5
  -2  -4  -8 114.896 50.7091   2
   3  -4   8 178.836 61.3397   5
   3   4   8 150.434 54.3780   5
  -3  -4  -8 178.602 55.1450   2
   4  -4   8 109.512 67.0917   5
   4   4   8-22.0140 45.4662   5
  -4  -4  -8 88.1194 45.8405   2
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   5   4   8 94.5265 52.2307   5
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   1  -6  -9-1.18906 54.0072   2
   0  -6   9 126.529 75.9575   5
   0  -6  -9 10.5629 67.3600   2
   1  -6   9-138.407 73.6419   5
  -1  -6  -9 35.3375 61.8575   2
   2  -6   9 87.3930 79.5053   5
  -2  -6  -9 10.4870 56.6720   2
   3  -6   9 176.034 75.8163   5
  -3  -6  -9 204.113 64.1232   2
  -4  -6  -9 313.699 62.3721   2
  -5  -7   9 79.6924 68.6027   5
  -4  -7   9-60.2941 70.9620   5
   4  -7  -9-31.1321 80.7422   2
  -3  -7   9 269.402 78.2136   5
   3  -7  -9 42.1940 73.9709   2
  -2  -7   9-94.4428 55.8004   5
   2  -7  -9-2.27293 60.0228   2
  -1  -7   9 167.036 82.2620   5
   1  -7  -9 105.383 69.7418   2
   0  -7   9-148.466 73.5849   5
   0  -7  -9-38.6946 61.6078   2
   1  -7   9 16.4518 65.6395   5
  -1  -7  -9-57.5331 67.1462   2
   2  -7   9-69.2087 63.7436   5
  -2  -7  -9-2.81742 59.5155   2
  -2  -8   9-223.664 78.3000   5
   2  -8  -9-15.9600 75.1369   2
  -1  -8   9 291.690 67.3368   5
   1  -8  -9-47.3690 72.8328   2
   0  -8  -9-6.94504 60.8343   2
   4   0 -10-90.4778 67.0479   2
   3   0 -10 34.3258 75.7059   2
  -2   0  10 47.8029 57.4522   5
   2   0 -10-35.8097 49.0239   2
  -1   0  10 120.570 66.7097   5
   1   0 -10-60.7791 58.3815   2
   0   0  10 40.5766 78.8460   5
   1   0  10 106.731 68.2680   5
   5   1 -10 217.575 59.1862   2
   4   1 -10 95.5826 65.4910   2
   4  -1 -10-59.0255 72.3901   2
  -3  -1  10-122.657 80.2853   5
   3  -1 -10 107.022 62.2420   2
  -2  -1  10-161.223 79.0270   5
   2  -1 -10 6.42102 72.1251   2
  -1  -1  10 195.927 68.5462   5
   1  -1 -10 28.7993 75.4832   2
   0   1  10 174.728 66.1259   5
   0  -1 -10 55.6000 61.0343   2
   1  -1  10 269.259 59.6467   5
  -1  -1 -10 208.492 68.6894   2
   2   1  10 226.473 68.5246   5
  -6  -2  10-145.895 63.1657   5
  -5  -2  10 35.7309 65.1918   5
  -4  -2  10 144.187 64.2723   5
  -3  -2  10-111.571 64.4606   5
   3  -2 -10 79.5364 65.2531   2
  -2  -2  10 128.500 78.5412   5
   2  -2 -10-21.3495 68.0957   2
  -1  -2  10 30.3339 79.3333   5
   1  -2 -10-141.225 55.4614   2
   0  -2  10-159.283 73.2748   5
   0  -2 -10 41.5845 63.9352   2
  -1  -2 -10-61.8548 60.4802   2
   2   2  10 199.539 80.8852   5
  -2  -2 -10-4.30433 54.5786   2
  -3  -3  10-99.4966 75.5532   5
  -2  -3  10 181.871 71.4111   5
   1  -3 -10-53.6394 64.0709   2
   0  -3 -10 70.4378 72.0322   2
   0   0   0    0.00    0.00   0
;
_shelx_hkl_checksum              93498
_shelx_res_file
;
TITL HP5 IN P2(1)/C
    shelx.res
    created by SHELXL-2018/3 at 11:35:01 on 27-Dec-2021
CELL  0.71073 13.06830 15.78680  7.92550 90.00000 95.13700 90.00000
ZERR 4  0.00090  0.00090  0.00050  0.00000  0.00600  0.00000
LATT 1
SYMM -X, Y+ 0.50000, -Z+ 0.50000
SFAC C H N O
UNIT 68 76 12 16
rem SHEL 16 0.83
SIZE 0.48 0.44 0.16
L.S. 14
CONF
ACTA
BOND $H
htab
EQIV $1 -x+1, -y+1, -z+1
HTAB N2 O2_$1
HTAB N2 O1
HTAB N2 O2
EQIV $2 x, -y+3/2, z-1/2
HTAB C8 O1_$2
EQIV $3 x-1, y, z-1
HTAB C10 O4A_$3
DFIX 0.86 0.02 N2 H21 N2 H22
simu .01 n3 > o4a
delu .01 n3 > o4a
omit     0   4   0   !  38819.60      71524.79      10.92       1.000       3.95
omit    -2   3   1   !  27598.37      34494.62       4.13       0.694       3.72
omit    -2   1   1   !  20693.69      25505.75       4.03       0.597       4.99
omit    -2   4   1   !  20793.12      24397.39       3.13       0.584       3.16
omit     0   2   0   !    147.38         66.16      10.14       0.071       7.89
WGHT    0.040600    0.229600
FVAR       2.62771   0.62473
N1    3    0.317133    0.637373    0.068533    11.00000    0.04166    0.04310 =
         0.04678    0.00146   -0.00384    0.00181
N2    3    0.423837    0.618115    0.397756    11.00000    0.05246    0.04342 =
         0.05053   -0.00290   -0.01105    0.00094
H21   2    0.405871    0.563994    0.411701    11.00000   -1.20000
H22   2    0.465008    0.635772    0.493174    11.00000   -1.20000
C1    1    0.253040    0.616548   -0.079405    11.00000    0.04606    0.04417 =
         0.04373    0.00942   -0.00274   -0.00813
C2    1    0.161120    0.660291   -0.117667    11.00000    0.05138    0.06371 =
         0.06061    0.00706   -0.00573   -0.00229
AFIX  43
H2    2    0.141977    0.702437   -0.044776    11.00000   -1.20000
AFIX   0
C3    1    0.098429    0.641906   -0.261771    11.00000    0.05255    0.09229 =
         0.06574    0.01867   -0.01042   -0.00928
AFIX  43
H3    2    0.037601    0.671965   -0.285079    11.00000   -1.20000
AFIX   0
C4    1    0.124062    0.580339   -0.370903    11.00000    0.07326    0.11156 =
         0.04760    0.00996   -0.01405   -0.02511
AFIX  43
H4    2    0.080984    0.567936   -0.467562    11.00000   -1.20000
AFIX   0
C5    1    0.214122    0.537088   -0.336041    11.00000    0.09189    0.09275 =
         0.04458   -0.00594   -0.00140   -0.01289
AFIX  43
H5    2    0.232309    0.495042   -0.409926    11.00000   -1.20000
AFIX   0
C6    1    0.278531    0.554995   -0.192457    11.00000    0.06606    0.06633 =
         0.04716    0.00008   -0.00184    0.00079
AFIX  43
H6    2    0.339789    0.525251   -0.171661    11.00000   -1.20000
AFIX   0
C7    1    0.413600    0.590473    0.092733    11.00000    0.04583    0.04934 =
         0.04887    0.00217    0.00137    0.00223
AFIX  23
H7A   2    0.450391    0.596351   -0.007625    11.00000   -1.20000
H7B   2    0.398842    0.530823    0.107119    11.00000   -1.20000
AFIX   0
C8    1    0.480776    0.621610    0.245145    11.00000    0.04570    0.05648 =
         0.06033    0.00418   -0.00247    0.00022
AFIX  23
H8A   2    0.541877    0.586642    0.261820    11.00000   -1.20000
H8B   2    0.502144    0.679404    0.226049    11.00000   -1.20000
AFIX   0
C9    1    0.331890    0.672107    0.372655    11.00000    0.05609    0.05097 =
         0.05618   -0.00863   -0.00704    0.01106
AFIX  23
H9A   2    0.352164    0.730174    0.353462    11.00000   -1.20000
H9B   2    0.294913    0.670810    0.473427    11.00000   -1.20000
AFIX   0
C10   1    0.263331    0.640920    0.222899    11.00000    0.04781    0.05639 =
         0.05215   -0.00652   -0.00262    0.00933
AFIX  23
H10A  2    0.238174    0.584849    0.247440    11.00000   -1.20000
H10B  2    0.204495    0.678299    0.204255    11.00000   -1.20000
AFIX   0
O1    4    0.545501    0.669146    0.674505    11.00000    0.05974    0.06217 =
         0.07101   -0.01299   -0.02130    0.01327
O2    4    0.625756    0.556938    0.582507    11.00000    0.07149    0.04754 =
         0.05667   -0.00875   -0.01171    0.00201
part 1  21.0
N3    3    0.933042    0.641456    1.229618    21.00000    0.06783    0.09984 =
         0.06488    0.00518   -0.01907   -0.01792
O3    4    0.918251    0.686197    1.351954    21.00000    0.10574    0.12552 =
         0.08399   -0.02838   -0.03601   -0.00925
O4    4    1.009603    0.597332    1.218587    21.00000    0.05608    0.14003 =
         0.08382    0.01408   -0.02135    0.00025
part 2  -21.0
same .003 n3 > o4
N3A   3    0.921860    0.646945    1.244032   -21.00000    0.06431    0.10492 =
         0.07150    0.00706   -0.02388   -0.00677
O3A   4    0.889796    0.665925    1.380125   -21.00000    0.09058    0.12386 =
         0.06618   -0.01074   -0.02460   -0.01141
O4A   4    1.012748    0.635217    1.222732   -21.00000    0.04973    0.14633 =
         0.10226    0.02048   -0.02251   -0.01764
part 0
C11   1    0.701691    0.627783    0.825076    11.00000    0.04497    0.03609 =
         0.04441    0.00322   -0.00292   -0.00453
C12   1    0.683113    0.672422    0.969024    11.00000    0.04909    0.04754 =
         0.05376   -0.00221   -0.00136    0.00206
AFIX  43
H12   2    0.620157    0.699232    0.974825    11.00000   -1.20000
AFIX   0
C13   1    0.757074    0.677665    1.104488    11.00000    0.06895    0.05568 =
         0.05096   -0.01035   -0.00455   -0.00136
AFIX  43
H13   2    0.744175    0.706602    1.202574    11.00000   -1.20000
AFIX   0
C14   1    0.849773    0.639223    1.090741    11.00000    0.05199    0.05987 =
         0.05497    0.00579   -0.01266   -0.01160
C15   1    0.871918    0.596660    0.947864    11.00000    0.04140    0.07222 =
         0.06637    0.00601   -0.00080    0.00166
AFIX  43
H15   2    0.936114    0.572184    0.940687    11.00000   -1.20000
AFIX   0
C16   1    0.796861    0.591062    0.815456    11.00000    0.05001    0.05639 =
         0.05001   -0.00332    0.00164    0.00334
AFIX  43
H16   2    0.810377    0.562065    0.717750    11.00000   -1.20000
AFIX   0
C17   1    0.618155    0.617340    0.682262    11.00000    0.04976    0.03890 =
         0.04918    0.00446   -0.00442   -0.00404
HKLF 4
REM  HP5 IN P2(1)/C
REM wR2 = 0.1174, GooF = S = 1.099, Restrained GooF = 1.100 for all data
REM R1 = 0.0544 for 2088 Fo > 4sig(Fo) and 0.1163 for all 3587 data
REM 251 parameters refined using 83 restraints
END
WGHT      0.0417      0.2046
REM Instructions for potential hydrogen bonds
HTAB N2 O2_$1
HTAB N2 O1
HTAB N2 O2
HTAB C8 O1_$2
HTAB C10 O4A_$3
REM Highest difference peak  0.146,  deepest hole -0.131,  1-sigma level  0.031
Q1    1   0.6629  0.6208  0.7541  11.00000  0.05    0.15
Q2    1   0.7019  0.6580  0.8591  11.00000  0.05    0.14
Q3    1   0.2379  0.5651 -0.0847  11.00000  0.05    0.13
Q4    1   0.3856  0.7326  0.3018  11.00000  0.05    0.13
Q5    1   0.4326  0.6440  0.6659  11.00000  0.05    0.13
Q6    1   0.5234  0.6188  0.6919  11.00000  0.05    0.12
Q7    1   0.8499  0.5963  1.0594  11.00000  0.05    0.12
Q8    1   0.1874  0.6084 -0.0518  11.00000  0.05    0.12
Q9    1   0.6798  0.6224  0.9285  11.00000  0.05    0.12
Q10   1   0.3224  0.7198  0.4446  11.00000  0.05    0.11
Q11   1   0.5685  0.7023  0.7590  11.00000  0.05    0.11
Q12   1   0.5047  0.6656  0.5938  11.00000  0.05    0.11
Q13   1   0.9836  0.7051  1.2595  11.00000  0.05    0.11
Q14   1   0.3538  0.6050  0.0746  11.00000  0.05    0.10
Q15   1   0.5387  0.6358 -0.0592  11.00000  0.05    0.10
Q16   1   0.1416  0.6838 -0.0675  11.00000  0.05    0.10
Q17   1   0.1907  0.6386  0.2216  11.00000  0.05    0.10
Q18   1   0.5592  0.7061  0.9495  11.00000  0.05    0.10
Q19   1   0.8155  0.6737  1.0613  11.00000  0.05    0.10
Q20   1   0.7324  0.6015  0.8357  11.00000  0.05    0.10
;
_shelx_res_checksum              57715
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
N N1 0.31713(11) 0.63737(9) 0.06853(18) 0.0443(4) Uani d 1 . .
N N2 0.42384(12) 0.61812(10) 0.3978(2) 0.0497(4) Uani d 1 . .
H H21 0.4059(14) 0.5640(10) 0.412(2) 0.060 Uiso d 1 . .
H H22 0.4650(13) 0.6358(11) 0.493(2) 0.060 Uiso d 1 . .
C C1 0.25304(14) 0.61655(11) -0.0794(2) 0.0451(5) Uani d 1 . .
C C2 0.16112(15) 0.66029(13) -0.1177(3) 0.0592(5) Uani d 1 . .
H H2 0.141977 0.702437 -0.044776 0.071 Uiso calc 1 . .
C C3 0.09843(17) 0.64191(16) -0.2618(3) 0.0711(7) Uani d 1 . .
H H3 0.037601 0.671965 -0.285079 0.085 Uiso calc 1 . .
C C4 0.12406(19) 0.58034(18) -0.3709(3) 0.0786(7) Uani d 1 . .
H H4 0.080984 0.567936 -0.467562 0.094 Uiso calc 1 . .
C C5 0.21412(19) 0.53709(16) -0.3360(3) 0.0769(7) Uani d 1 . .
H H5 0.232309 0.495042 -0.409926 0.092 Uiso calc 1 . .
C C6 0.27853(16) 0.55500(13) -0.1925(2) 0.0603(6) Uani d 1 . .
H H6 0.339789 0.525251 -0.171661 0.072 Uiso calc 1 . .
C C7 0.41360(13) 0.59047(11) 0.0927(2) 0.0482(5) Uani d 1 . .
H H7A 0.450391 0.596351 -0.007625 0.058 Uiso calc 1 . .
H H7B 0.398842 0.530823 0.107119 0.058 Uiso calc 1 . .
C C8 0.48078(14) 0.62161(12) 0.2451(2) 0.0546(5) Uani d 1 . .
H H8A 0.541877 0.586642 0.261820 0.066 Uiso calc 1 . .
H H8B 0.502144 0.679404 0.226049 0.066 Uiso calc 1 . .
C C9 0.33189(14) 0.67211(12) 0.3727(2) 0.0551(5) Uani d 1 . .
H H9A 0.352164 0.730174 0.353462 0.066 Uiso calc 1 . .
H H9B 0.294913 0.670810 0.473427 0.066 Uiso calc 1 . .
C C10 0.26333(14) 0.64092(12) 0.2229(2) 0.0525(5) Uani d 1 . .
H H10A 0.238174 0.584849 0.247440 0.063 Uiso calc 1 . .
H H10B 0.204495 0.678299 0.204255 0.063 Uiso calc 1 . .
O O1 0.54550(10) 0.66915(8) 0.67450(17) 0.0659(4) Uani d 1 . .
O O2 0.62576(10) 0.55694(8) 0.58251(17) 0.0596(4) Uani d 1 . .
N N3 0.9330(8) 0.6415(18) 1.2296(16) 0.0790(18) Uani d 0.62(3) A 1
O O3 0.9183(12) 0.6862(8) 1.3520(19) 0.108(3) Uani d 0.62(3) A 1
O O4 1.0096(8) 0.5973(11) 1.2186(12) 0.095(2) Uani d 0.62(3) A 1
N N3A 0.9219(15) 0.647(3) 1.244(3) 0.082(3) Uani d 0.38(3) A 2
O O3A 0.8898(15) 0.6659(14) 1.380(2) 0.095(3) Uani d 0.38(3) A 2
O O4A 1.0127(12) 0.6352(18) 1.223(2) 0.101(3) Uani d 0.38(3) A 2
C C11 0.70169(13) 0.62778(10) 0.8251(2) 0.0422(4) Uani d 1 . .
C C12 0.68311(14) 0.67242(11) 0.9690(2) 0.0505(5) Uani d 1 . .
H H12 0.620157 0.699232 0.974825 0.061 Uiso calc 1 . .
C C13 0.75707(16) 0.67767(12) 1.1045(3) 0.0591(5) Uani d 1 . .
H H13 0.744175 0.706602 1.202574 0.071 Uiso calc 1 . .
C C14 0.84977(16) 0.63922(13) 1.0907(3) 0.0567(5) Uani d 1 . .
C C15 0.87192(15) 0.59666(13) 0.9479(3) 0.0603(6) Uani d 1 . .
H H15 0.936114 0.572184 0.940687 0.072 Uiso calc 1 . .
C C16 0.79686(14) 0.59106(12) 0.8155(2) 0.0523(5) Uani d 1 . .
H H16 0.810377 0.562065 0.717750 0.063 Uiso calc 1 . .
C C17 0.61816(14) 0.61734(11) 0.6823(2) 0.0465(5) Uani d 1 . .
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
N1 0.0417(9) 0.0431(8) 0.0468(9) 0.0018(7) -0.0038(7) 0.0015(7)
N2 0.0525(10) 0.0434(9) 0.0505(10) 0.0009(7) -0.0110(8) -0.0029(8)
C1 0.0461(11) 0.0442(10) 0.0437(11) -0.0081(8) -0.0027(8) 0.0094(9)
C2 0.0514(12) 0.0637(13) 0.0606(13) -0.0023(10) -0.0057(10) 0.0071(11)
C3 0.0526(14) 0.0923(17) 0.0657(16) -0.0093(12) -0.0104(11) 0.0187(14)
C4 0.0733(17) 0.112(2) 0.0476(14) -0.0251(15) -0.0141(12) 0.0100(14)
C5 0.092(2) 0.0928(18) 0.0446(13) -0.0129(14) -0.0014(12) -0.0059(12)
C6 0.0661(14) 0.0663(13) 0.0472(12) 0.0008(10) -0.0018(10) 0.0001(11)
C7 0.0458(11) 0.0493(10) 0.0489(12) 0.0022(9) 0.0014(8) 0.0022(9)
C8 0.0457(12) 0.0565(12) 0.0603(13) 0.0002(9) -0.0025(10) 0.0042(10)
C9 0.0561(12) 0.0510(11) 0.0562(12) 0.0111(9) -0.0070(9) -0.0086(10)
C10 0.0478(12) 0.0564(12) 0.0522(12) 0.0093(9) -0.0026(9) -0.0065(9)
O1 0.0597(9) 0.0622(8) 0.0710(10) 0.0133(7) -0.0213(7) -0.0130(7)
O2 0.0715(10) 0.0475(7) 0.0567(9) 0.0020(7) -0.0117(7) -0.0087(7)
N3 0.068(4) 0.100(5) 0.065(3) -0.018(4) -0.019(3) 0.005(3)
O3 0.106(5) 0.126(5) 0.084(5) -0.009(4) -0.036(4) -0.028(4)
O4 0.056(3) 0.140(6) 0.084(3) 0.000(4) -0.0213(18) 0.014(4)
N3A 0.064(5) 0.105(6) 0.071(5) -0.007(5) -0.024(5) 0.007(5)
O3A 0.091(7) 0.124(7) 0.066(5) -0.011(5) -0.025(4) -0.011(5)
O4A 0.050(4) 0.146(8) 0.102(5) -0.018(6) -0.023(3) 0.020(6)
C11 0.0450(11) 0.0361(9) 0.0444(11) -0.0045(8) -0.0029(8) 0.0032(8)
C12 0.0491(12) 0.0475(11) 0.0538(12) 0.0021(9) -0.0014(9) -0.0022(9)
C13 0.0690(15) 0.0557(12) 0.0510(12) -0.0014(11) -0.0046(10) -0.0104(10)
C14 0.0520(13) 0.0599(13) 0.0550(13) -0.0116(10) -0.0127(10) 0.0058(10)
C15 0.0414(12) 0.0722(14) 0.0664(15) 0.0017(10) -0.0008(10) 0.0060(12)
C16 0.0500(12) 0.0564(12) 0.0500(12) 0.0033(10) 0.0016(9) -0.0033(9)
C17 0.0498(12) 0.0389(10) 0.0492(12) -0.0040(9) -0.0044(9) 0.0045(9)
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'
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
C1 N1 C7 . . 115.50(14) ?
C1 N1 C10 . . 114.03(14) ?
C7 N1 C10 . . 112.51(13) ?
C9 N2 C8 . . 109.43(15) ?
C9 N2 H21 . . 110.4(12) ?
C8 N2 H21 . . 107.1(13) ?
C9 N2 H22 . . 110.0(11) ?
C8 N2 H22 . . 110.9(12) ?
H21 N2 H22 . . 108.9(16) ?
C6 C1 C2 . . 117.37(17) ?
C6 C1 N1 . . 122.71(16) ?
C2 C1 N1 . . 119.91(17) ?
C3 C2 C1 . . 120.9(2) ?
C3 C2 H2 . . 119.6 ?
C1 C2 H2 . . 119.6 ?
C4 C3 C2 . . 121.0(2) ?
C4 C3 H3 . . 119.5 ?
C2 C3 H3 . . 119.5 ?
C3 C4 C5 . . 118.9(2) ?
C3 C4 H4 . . 120.5 ?
C5 C4 H4 . . 120.5 ?
C4 C5 C6 . . 120.9(2) ?
C4 C5 H5 . . 119.5 ?
C6 C5 H5 . . 119.5 ?
C5 C6 C1 . . 120.9(2) ?
C5 C6 H6 . . 119.6 ?
C1 C6 H6 . . 119.6 ?
N1 C7 C8 . . 111.92(15) ?
N1 C7 H7A . . 109.2 ?
C8 C7 H7A . . 109.2 ?
N1 C7 H7B . . 109.2 ?
C8 C7 H7B . . 109.2 ?
H7A C7 H7B . . 107.9 ?
N2 C8 C7 . . 110.09(16) ?
N2 C8 H8A . . 109.6 ?
C7 C8 H8A . . 109.6 ?
N2 C8 H8B . . 109.6 ?
C7 C8 H8B . . 109.6 ?
H8A C8 H8B . . 108.2 ?
N2 C9 C10 . . 109.78(15) ?
N2 C9 H9A . . 109.7 ?
C10 C9 H9A . . 109.7 ?
N2 C9 H9B . . 109.7 ?
C10 C9 H9B . . 109.7 ?
H9A C9 H9B . . 108.2 ?
N1 C10 C9 . . 112.01(16) ?
N1 C10 H10A . . 109.2 ?
C9 C10 H10A . . 109.2 ?
N1 C10 H10B . . 109.2 ?
C9 C10 H10B . . 109.2 ?
H10A C10 H10B . . 107.9 ?
O4 N3 O3 . . 124.7(4) ?
O4 N3 C14 . . 118.9(9) ?
O3 N3 C14 . . 116.4(9) ?
O4A N3A O3A . . 124.6(5) ?
O4A N3A C14 . . 115.4(12) ?
O3A N3A C14 . . 120.0(12) ?
C16 C11 C12 . . 119.07(16) ?
C16 C11 C17 . . 120.49(17) ?
C12 C11 C17 . . 120.42(17) ?
C11 C12 C13 . . 120.68(18) ?
C11 C12 H12 . . 119.7 ?
C13 C12 H12 . . 119.7 ?
C14 C13 C12 . . 118.33(19) ?
C14 C13 H13 . . 120.8 ?
C12 C13 H13 . . 120.8 ?
C13 C14 C15 . . 122.52(18) ?
C13 C14 N3A . . 113.8(8) ?
C15 C14 N3A . . 123.7(8) ?
C13 C14 N3 . . 121.9(5) ?
C15 C14 N3 . . 115.6(5) ?
C14 C15 C16 . . 118.29(19) ?
C14 C15 H15 . . 120.9 ?
C16 C15 H15 . . 120.9 ?
C15 C16 C11 . . 121.07(19) ?
C15 C16 H16 . . 119.5 ?
C11 C16 H16 . . 119.5 ?
O2 C17 O1 . . 124.86(16) ?
O2 C17 C11 . . 117.72(16) ?
O1 C17 C11 . . 117.41(17) ?
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
N1 C1 . 1.417(2) ?
N1 C7 . 1.460(2) ?
N1 C10 . 1.466(2) ?
N2 C9 . 1.472(2) ?
N2 C8 . 1.477(3) ?
N2 H21 . 0.896(14) ?
N2 H22 . 0.931(14) ?
C1 C6 . 1.383(3) ?
C1 C2 . 1.395(3) ?
C2 C3 . 1.376(3) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.363(3) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.367(3) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.383(3) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 C8 . 1.510(2) ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C9 C10 . 1.504(2) ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
O1 C17 . 1.250(2) ?
O2 C17 . 1.248(2) ?
N3 O4 . 1.229(10) ?
N3 O3 . 1.229(9) ?
N3 C14 . 1.477(8) ?
N3A O4A . 1.229(10) ?
N3A O3A . 1.229(9) ?
N3A C14 . 1.474(14) ?
C11 C16 . 1.380(2) ?
C11 C12 . 1.381(2) ?
C11 C17 . 1.510(2) ?
C12 C13 . 1.381(3) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.368(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.370(3) ?
C15 C16 . 1.374(3) ?
C15 H15 . 0.9300 ?
C16 H16 . 0.9300 ?
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
N2 H21 O2 3_666 0.896(14) 1.955(15) 2.846(2) 173.2(18) yes
N2 H22 O1 . 0.931(14) 1.783(15) 2.7135(19) 179.2(19) yes
N2 H22 O2 . 0.931(14) 2.489(17) 3.057(2) 119.5(14) yes
C8 H8B O1 4_575 0.97 2.50 3.468(2) 176.4 yes
C10 H10B O4A 1_454 0.97 2.61 3.276(15) 125.7 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
C7 N1 C1 C6 . . . . 1.1(2) ?
C10 N1 C1 C6 . . . . -131.49(19) ?
C7 N1 C1 C2 . . . . -177.35(16) ?
C10 N1 C1 C2 . . . . 50.0(2) ?
C6 C1 C2 C3 . . . . 0.6(3) ?
N1 C1 C2 C3 . . . . 179.11(18) ?
C1 C2 C3 C4 . . . . 0.2(3) ?
C2 C3 C4 C5 . . . . -0.6(3) ?
C3 C4 C5 C6 . . . . 0.1(4) ?
C4 C5 C6 C1 . . . . 0.7(3) ?
C2 C1 C6 C5 . . . . -1.0(3) ?
N1 C1 C6 C5 . . . . -179.50(18) ?
C1 N1 C7 C8 . . . . 175.30(15) ?
C10 N1 C7 C8 . . . . -51.4(2) ?
C9 N2 C8 C7 . . . . -60.00(19) ?
N1 C7 C8 N2 . . . . 55.4(2) ?
C8 N2 C9 C10 . . . . 60.4(2) ?
C1 N1 C10 C9 . . . . -173.98(14) ?
C7 N1 C10 C9 . . . . 52.0(2) ?
N2 C9 C10 N1 . . . . -56.4(2) ?
C16 C11 C12 C13 . . . . -2.5(3) ?
C17 C11 C12 C13 . . . . 175.88(17) ?
C11 C12 C13 C14 . . . . 1.5(3) ?
C12 C13 C14 C15 . . . . 0.6(3) ?
C12 C13 C14 N3A . . . . -179(2) ?
C12 C13 C14 N3 . . . . -179.8(14) ?
O4A N3A C14 C13 . . . . -160(3) ?
O3A N3A C14 C13 . . . . 18(5) ?
O4A N3A C14 C15 . . . . 21(5) ?
O3A N3A C14 C15 . . . . -161(3) ?
O4 N3 C14 C13 . . . . 171.1(17) ?
O3 N3 C14 C13 . . . . -7(3) ?
O4 N3 C14 C15 . . . . -9(3) ?
O3 N3 C14 C15 . . . . 173.1(18) ?
C13 C14 C15 C16 . . . . -1.5(3) ?
N3A C14 C15 C16 . . . . 177(2) ?
N3 C14 C15 C16 . . . . 178.8(13) ?
C14 C15 C16 C11 . . . . 0.4(3) ?
C12 C11 C16 C15 . . . . 1.5(3) ?
C17 C11 C16 C15 . . . . -176.86(17) ?
C16 C11 C17 O2 . . . . 20.4(3) ?
C12 C11 C17 O2 . . . . -157.93(17) ?
C16 C11 C17 O1 . . . . -160.75(18) ?
C12 C11 C17 O1 . . . . 20.9(3) ?

_cod_database_fobs_code 2244166