#------------------------------------------------------------------------------
#$Date: 2024-09-21 04:26:17 +0200 (Sat, 21 Sep 2024) $
#$Revision: 294843 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/32/2023254.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_2023254
loop_
_publ_author_name
'N\"ather, Christian'
'Jess, Inke'
_publ_section_title
;
 Synthesis and crystal structure of poly[ethanol(\m-4-methylpyridine
 N-oxide)di-\m-thiocyanato-cobalt(II)]
;
_journal_coeditor_code           PK2710
_journal_issue                   10
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989024009058
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          '[Co (N C S)2 (C6 H7 N1 O1) (C2 H6 O1)]'
_chemical_formula_moiety         'C10 H13 Co N3 O2 S2'
_chemical_formula_sum            'C10 H13 Co N3 O2 S2'
_chemical_formula_weight         330.28
_chemical_name_systematic
;
Poly[ethanol(\m-4-methylpyridine <i>N</i>-oxide)di-\m-thiocyanato-cobalt(II)]
;
_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
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214)
;
_cell_angle_alpha                90
_cell_angle_beta                 107.5929(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.67627(7)
_cell_length_b                   11.61861(6)
_cell_length_c                   10.60662(7)
_cell_measurement_reflns_used    19460
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      79.8650
_cell_measurement_theta_min      3.9680
_cell_volume                     1371.615(15)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2023)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2023)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2023)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999) and XP in SHELXTL-PC (Sheldrick,
2008)
;
_computing_publication_material
;
Publcif (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2016/6</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT2014/5</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_unetI/netI     0.0096
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            23514
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.345
_diffrn_reflns_theta_min         3.972
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    12.649
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2023)
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_description       block
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_size_rad          0.079
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.292
_refine_ls_extinction_coef       0.00084(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
<i>SHELXL2016/6</i> (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2937
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0303P)^2^+0.9886P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                2909
_reflns_number_total             2937
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2710.cif
_cod_data_source_block           I
_cod_database_code               2023254
_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_hkl_file
;
   0   0  -1 134.680 21.5741   8
   0   0  -1 92.7366 23.7939  41
   0   0  -2 156349. 2270.75  41
   0   0   2 158420. 2296.27   1
   0   0  -3-30.9505 71.4544  41
   0   0   3 29.9270 92.3084   1
   0   0   3 229.105 71.3021  12
   0   0   4 77136.3 1221.18   1
   0   0   4 79322.2 1177.95  12
   0   0  -5 160.680 165.926  44
   0   0   5-48.0785 160.169   1
   0   0   5-12.0489 121.154  12
   0   0  -6 465435. 6786.85  44
   0   0   6 467003. 6575.59   3
   0   0   6 493683. 6805.04   1
   0   0   6 493300. 6704.54  12
   0   0   7-124.203 254.738   1
   0   0   7 276.033 132.973   3
   0   0  -7 266.631 244.396  44
   0   0   7 3.82065 100.620  49
   0   0   7 42.7178 156.710  12
   0   0   8 122864. 1744.48   3
   0   0   8 127029. 2041.89   1
   0   0   9 61.3502 175.673   3
   0   0   9 127.352 181.440  20
   0   0   9 8.36038 158.349  31
   0   0  -9 147.943 151.585  53
   0   0   9 40.1827 134.678  25
   0   0  10 29857.2 505.265  31
   0   0  10 28460.4 481.436  25
   0   0  10 30283.1 520.140   3
   0   0  10 30064.9 519.452  20
   0   0  11 5.09757 126.712   3
   0   0  11-39.0450 125.008  31
   0   0  11 203.589 144.968  20
   0   0  12 5945.95 141.229   3
   0   0  12 6153.03 131.092  31
   0   0  12 5887.79 147.488  20
   0  -1   0 20.9374 15.3844  11
   0   1  -1 322965. 4410.83   6
   0  -1   1 315669. 4426.58   1
   0  -1   1 319060. 4402.49  46
   0  -1  -1 326078. 4437.83  44
   0   1   2 28553.1 481.867   1
   0  -1   2 29255.5 475.581   1
   0  -1  -2 28924.8 427.544   7
   0  -1   2 28092.6 406.629  10
   0   1  -2 28628.4 466.069   8
   0   1  -2 28865.6 431.310   6
   0   1   2 30072.1 458.815  12
   0  -1  -2 29000.0 480.486  44
   0  -1   3 4137.01 156.993   1
   0   1   3 3581.64 159.871   1
   0   1  -3 3771.14 105.843   6
   0   1  -3 4389.75 143.496   8
   0  -1  -3 3567.61 88.2648   7
   0   1   3 3764.23 132.394  12
   0  -1  -3 3992.56 159.918  44
   0   1  -3 3278.99 141.854  41
   0  -1   4 1602.30 153.713   1
   0   1  -4 1675.20 93.8761   6
   0  -1   4 1341.58 129.409  12
   0   1   4 1351.44 111.113  12
   0  -1  -4 1529.09 153.981  44
   0  -1   4 1240.03 134.425  40
   0   1  -4 1469.74 140.600  41
   0  -1   5 66736.2 1112.36   1
   0  -1  -5 66105.0 1102.95  44
   0   1  -5 63487.5 1074.61  41
   0   1   5 65605.4 1036.43  12
   0  -1   5 66099.4 1058.22  12
   0  -1   6 47401.5 712.242   3
   0  -1   6 50144.6 918.142   1
   0   1   6 46009.3 711.544   3
   0   1  -6 45806.6 878.993  41
   0  -1  -6 48499.7 911.442  44
   0   1   6 44381.4 707.257  51
   0   1   6 47415.5 818.201  12
   0  -1   6 47737.2 849.117  12
   0   1   7 126498. 2120.11   1
   0  -1   7 132230. 1877.86   3
   0   1   7 129052. 1876.60   3
   0  -1   7 138356. 2145.01   1
   0  -1  -7 133776. 2133.04  44
   0   1  -7 131679. 2137.22  44
   0  -1   7 131260. 2030.59  12
   0  -1   7 129590. 1868.95  49
   0  -1  -8 106423. 1817.42  44
   0   1  -8 102835. 1827.40  44
   0   1  -8 101667. 1518.54  53
   0  -1   8 107010. 1522.16  49
   0   1   8 110407. 1829.56   1
   0  -1   8 107710. 1538.37   3
   0   1   8 101182. 1531.73   3
   0  -1   8 112469. 1835.02   1
   0  -1   9 9419.06 264.008  20
   0   1   9 9069.42 238.486  35
   0  -1   9 9748.40 256.936  27
   0  -1   9 9501.45 239.548  25
   0   1   9 9731.53 238.781  25
   0  -1   9 10154.3 277.709   3
   0   1   9 10071.8 251.420  31
   0  -1   9 10248.1 239.094  49
   0  -1 -10 3287.63 177.845  53
   0   1  10 3061.88 149.864  35
   0  -1  10 3295.18 195.524   3
   0   1  10 3664.54 174.567  31
   0  -1  10 3414.75 183.362  31
   0  -1  10 3393.78 196.724  20
   0   1  10 3152.59 152.812  25
   0  -1  10 3167.99 155.318  25
   0  -1  11 7990.39 205.458  31
   0   1  11 8067.55 196.329  31
   0  -1  11 8316.16 210.845   3
   0  -1  11 7956.39 210.707  20
   0   1  11 8176.72 221.542  18
   0  -1  11 8197.84 216.193  18
   0   1  11 8072.27 224.296  20
   0   1  12 6200.00 129.078  31
   0  -1  12 6514.71 140.131  31
   0  -1  12 6441.22 143.578   3
   0   1  12 6478.41 144.902   3
   0   1  12 6518.36 154.365  18
   0   1  12 6697.69 154.399  20
   0  -1  12 6192.15 141.715  20
   0  -1  12 6487.07 149.831  18
   0   2   0 29522.1 452.387   8
   0  -2   1 211904. 3042.41   1
   0   2   1 211088. 3047.23   1
   0  -2   1 230655. 3059.02  13
   0  -2  -1 225980. 3052.37  11
   0   2   1 228189. 3078.88  39
   0  -2  -2 581425. 7956.80  44
   0  -2   2 576262. 7932.34   1
   0   2   2 560118. 7938.49   1
   0   2  -2 574078. 7906.39   6
   0  -2  -2 577322. 7913.52  11
   0   2   3 254781. 3462.59   1
   0  -2   3 253631. 3453.74   1
   0   2  -3 249422. 3455.70  41
   0  -2  -3 248298. 3477.46  44
   0   2   3 267721. 3445.80  12
   0   2  -3 251240. 3461.53   8
   0  -2  -3 255821. 3394.74   7
   0  -2   3 230656. 3344.60  10
   0   2  -3 245013. 3389.56   6
   0   2   4 10155.6 286.729   1
   0  -2   4 10436.8 281.480   1
   0   2  -4 9961.28 283.995  41
   0  -2   4 9036.40 266.861  40
   0  -2  -4 10464.0 299.462  44
   0   2   4 10004.5 250.178  12
   0   2  -4 9365.63 205.512   6
   0  -2  -4 9411.53 192.966   7
   0   2   5 269567. 3863.39   1
   0  -2   5 277411. 3858.58   1
   0  -2   5 261679. 3827.14  40
   0  -2  -5 265276. 3862.58  44
   0   2  -5 255052. 3845.68  41
   0   2   5 263536. 3791.33  12
   0  -2   6 17620.5 313.045  49
   0  -2   6 17003.5 315.426   3
   0   2   6 16402.2 315.490   3
   0  -2   6 17718.5 488.312   1
   0   2   6 18114.8 489.762   1
   0   2  -6 17114.3 474.928  41
   0  -2  -6 18005.7 487.885  44
   0   2   6 17052.8 312.422  51
   0  -2   6 18530.7 451.683  12
   0   2   6 16376.4 400.005  12
   0  -2   7 1259.38 139.632  49
   0  -2  -7 1101.00 258.490  44
   0   2   7 1178.17 270.050   1
   0  -2   7 1326.19 136.564   3
   0   2   7 1098.94 136.020   3
   0  -2   7 1481.35 270.263   1
   0  -2   7 1368.56 208.139  12
   0   2   7 1156.58 143.376  51
   0  -2   8 39163.5 620.589  49
   0  -2  -8 43737.5 900.465  44
   0  -2  -8 34825.6 872.217  45
   0   2   8 37328.7 615.275  35
   0  -2   8 38044.5 607.567  34
   0  -2   8 37103.2 602.551  25
   0  -2   8 38308.7 609.933  27
   0   2   8 40210.0 880.207   1
   0  -2   8 39947.6 879.121   1
   0   2   8 38605.4 626.774   3
   0  -2   8 37993.7 628.427   3
   0   2   8 38021.4 617.109  31
   0   2   8 37569.5 636.117  20
   0  -2   8 36162.8 614.626  20
   0  -2   9 24698.3 453.976  20
   0   2   9 25894.8 479.135  20
   0  -2   9 25921.7 444.115  34
   0   2   9 25438.7 448.438  35
   0  -2   9 25488.1 450.411  27
   0  -2   9 24266.6 439.622  25
   0   2   9 24485.2 436.603  25
   0  -2   9 26531.2 464.584   3
   0   2   9 25326.8 467.665   3
   0   2   9 26161.3 453.704  31
   0  -2   9 26200.1 453.801  49
   0  -2 -10 50480.8 760.050  53
   0  -2  10 47629.1 736.126  34
   0   2  10 46976.2 742.030  35
   0   2  10 50212.6 764.002   3
   0  -2  10 51173.4 766.019   3
   0  -2  10 50033.2 762.982  31
   0   2  10 48495.2 747.734  31
   0  -2  10 46566.8 751.419  20
   0   2  10 49719.0 769.315  18
   0   2  10 49306.0 770.686  20
   0  -2  10 46318.5 735.724  25
   0  -2  11 18768.3 331.903  31
   0   2  11 17634.2 315.112  31
   0   2  11 18825.6 331.413   3
   0  -2  11 19016.6 333.840   3
   0  -2  11 18159.6 335.297  18
   0  -2  11 17333.2 323.425  20
   0   2  11 18768.8 347.174  20
   0   2  11 19115.0 340.636  18
   0  -2  12 6330.87 139.657  31
   0   2  12 6274.62 136.406   3
   0  -2  12 6536.35 137.232   3
   0  -2  12 6190.73 142.999  18
   0   2  12 6640.63 151.727  20
   0   2  12 6798.71 147.289  18
   0  -3   0 19.7204 61.3068   9
   0   3   0 28.9735 60.0266   8
   0   3   1 86943.1 1252.89   1
   0  -3   1 87824.1 1247.17   1
   0  -3   1 92030.5 1291.29  13
   0  -3  -1 91929.9 1282.91  11
   0   3  -1 91620.6 1326.78   8
   0   3   1 87483.0 1269.75   8
   0   3   1 95550.9 1318.21  39
   0  -3   2 580977. 8012.13  46
   0  -3  -2 602660. 8103.86  45
   0  -3  -2 580710. 8038.91  11
   0  -3   2 586545. 8041.66   1
   0   3   2 571181. 8050.69   1
   0  -3  -3 1030.50 136.938  45
   0   3  -3 806.988 127.408   8
   0  -3  -3 873.594 80.1863  11
   0   3   3 997.231 112.701   1
   0  -3   3 793.521 106.012   1
   0  -3  -4 165489. 2470.55  45
   0   3  -4 163652. 2449.11  41
   0  -3  -4 170209. 2362.51   7
   0  -3  -4 166387. 2372.41  11
   0  -3   4 165114. 2428.11   1
   0  -3  -5 32224.1 658.404  44
   0  -3  -5 31831.6 669.238  45
   0  -3   5 31532.4 635.739  40
   0   3  -5 31643.2 657.051  41
   0   3   5 31335.0 648.357   1
   0  -3   5 31848.6 639.973   1
   0  -3   6 67908.6 1015.85  49
   0  -3   6 71435.9 1208.84   1
   0   3   6 66417.6 1007.36   3
   0  -3   6 67978.6 1004.62   3
   0   3   6 70434.7 1216.13   1
   0  -3   6 70910.3 1196.11  40
   0   3  -6 70712.5 1223.43  41
   0  -3  -6 68014.8 1231.08  45
   0   3   6 68045.0 1009.06  51
   0  -3   6 72649.6 1197.57  12
   0  -3   7 1418.59 145.778  49
   0   3  -7 1506.00 282.612  41
   0  -3  -7 1618.64 286.428  45
   0  -3   7 1586.11 262.720   1
   0   3   7 1550.52 259.450   1
   0   3   7 1530.59 141.512   3
   0  -3   7 1903.40 136.278   3
   0  -3   7 1694.15 230.488  12
   0   3   7 1692.01 142.875  51
   0   3   8 5623.03 214.781  51
   0  -3   8 5578.13 211.807  49
   0   3  -8 4926.36 392.810  44
   0  -3  -8 4956.90 387.422  45
   0   3   8 5249.21 209.599  35
   0  -3   8 5662.92 192.656  34
   0  -3   8 5224.70 188.453  27
   0   3   8 5047.98 190.039  25
   0  -3   8 5169.39 178.758  25
   0   3   8 5472.04 354.829   1
   0   3   8 5394.06 202.533   3
   0  -3   8 5450.53 197.598   3
   0  -3   8 5272.81 352.903   1
   0   3   8 4915.05 190.781  31
   0  -3   8 4761.07 186.462  20
   0   3   8 5204.02 221.880  20
   0   3   9 4349.43 205.057  18
   0  -3   9 3816.26 174.574  20
   0   3   9 3898.74 206.638  20
   0   3   9 3996.45 200.571  35
   0  -3   9 3858.58 183.774  34
   0  -3   9 3856.34 184.179  27
   0  -3   9 3856.59 174.936  25
   0   3   9 4049.18 186.523   3
   0  -3   9 4088.71 196.871   3
   0  -3   9 3932.53 196.603  49
   0   3   9 4224.91 184.251  31
   0  -3  10 22522.9 389.016  34
   0   3  10 22529.9 397.853  35
   0   3  10 23167.9 421.431  20
   0   3  10 23436.8 410.167  18
   0   3  10 23049.2 402.639   3
   0  -3  10 23525.4 406.774   3
   0  -3  10 22047.3 392.360  27
   0  -3  10 21382.4 381.169  25
   0   3  10 22769.1 389.414  31
   0  -3  11 31283.4 499.292  34
   0   3  11 33473.9 517.773   3
   0  -3  11 34449.6 519.497   3
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   0 -14  -2 15400.5 251.088  32
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   1   0  -7-6.11540 229.475  44
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   1   0  -6 115055. 1811.89  41
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   1   0  -5 23.8414 115.126  41
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   1   0  -4 29551.2 499.145   8
   1   0  -4 28331.2 518.417  41
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   1   0  -3 65.5793 53.5572   8
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   1   0  -3 62.4631 25.2720  43
   1   0  -3 206.174 36.8698  42
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  -1   0   1 27.2836 25.7669   1
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   1   0   1 61.4573 35.7783  10
  -1   0  -1 30.5577 34.1608   7
   1   0   2 133622. 1888.35  10
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   1   0   4 71415.1 1136.71   1
   1   0   4 66244.7 1038.78  12
   1   0   5 109.419 186.523   1
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   1   0   6 218317. 3017.73   3
   1   0   6 211118. 3006.71  49
   1   0   6 213530. 3112.31  12
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   1   0   7 57.6531 134.901   3
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   1   0   8 5262.20 217.413  20
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   1   0   9 3.04695 149.236  31
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   2   1  -1 139314. 1988.54  10
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   2  -1   9 16876.3 327.124  49
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   2   1  11 22219.9 353.719   3
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   2   2  -8 16663.4 508.046  41
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   2   2  -7 34331.6 714.796  41
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   2  -2  -6 33781.0 684.134  44
   2   2  -6 34034.5 676.261  41
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   2   2  -6 34328.1 655.204   8
   2   2  -5 60771.5 1006.95  41
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   2   2  -4 304644. 4304.58  42
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   2   2  -4 311396. 4327.66   8
   2   2  -3 9871.20 237.436  42
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   2   2  -3 9828.25 227.593  43
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  -2   2   3 9777.35 264.536  12
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  -2   2   2 21052.7 361.855   2
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  -2   2   2 21804.9 366.815   1
  -2  -2   2 21141.8 361.122   2
  -2   2   2 20734.8 361.292  39
   2   2  -2 21513.7 385.184  43
   2  -2  -2 21736.6 363.325  45
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   3   5  -5 1786.87 244.274   8
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   3  -5  -4 1416.43 204.855   9
  -3  -5   4 1473.12 115.697  52
  -3   5   4 1438.31 182.359  39
  -3   5   3 133455. 2006.76  39
  -3  -5   3 134730. 1990.22  40
   3   5  -3 133650. 2057.39  42
   3  -5  -3 133131. 2022.83   9
  -3  -5   3 127271. 2029.48   7
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   3  -5  -2 1333.91 168.391  13
  -3   5   2 1326.63 93.9368   2
   3   5  -2 1389.54 129.160  39
   3  -5  -2 1768.08 171.234   9
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  -3  -5   1 204909. 2867.86  11
   3   5  -1 205729. 2894.41  42
   3   5  -1 203176. 2819.25  39
   3   5   0 309622. 4303.44  39
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   3   5   0 311564. 4345.48  42
   3  -5   0 312054. 4282.36  40
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   3   5   1 26622.6 529.248  39
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   3   5   1 26171.0 522.343  42
   3  -5   2 43940.2 755.727  46
   3  -5   2 44281.3 783.728  40
   3   5   2 47082.6 773.647  42
   3   5   2 47570.7 822.168  39
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   3   5   2 42592.8 662.760  16
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   3   5   2 44584.4 670.213  51
   3  -5   3 62766.7 902.339  52
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   3  -5   3 60279.9 1039.80  40
   3   5   3 60752.6 892.273  50
   3  -5   3 59569.7 890.121  49
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   3   5   3 59664.0 887.525  16
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   3  -5   4 4059.60 263.105  40
   3   5   4 4008.27 125.817  49
   3   5   4 4319.21 157.958  50
   3   5   4 4227.78 239.962   1
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   3   5   4 4471.48 153.937  16
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   3   5   5 26745.6 456.496  50
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   3  -5   5 27753.7 454.708  52
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   3   5   5 25811.8 441.687  16
   3   5   5 24509.7 587.799   1
   3   5   5 24505.6 427.653   3
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   3  -5   6 59305.3 913.259  49
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   3   5   6 60840.8 911.835  35
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   3  -5   6 60577.7 895.146  52
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   3   5   6 59281.7 900.672  26
   3  -5   6 57786.7 884.717  23
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   3   5   6 58322.7 881.277   3
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   3  -5   7 8154.65 257.711  49
   3   5   7 8908.11 240.007  20
   3   5   7 8384.44 254.836  35
   3   5   7 8288.36 205.457   3
   3  -5   7 8157.99 211.910  23
   3   5   7 8226.62 226.956  26
   3   5   8 9996.76 229.213  26
   3  -5   8 10015.2 219.966  23
   3   5   8 10606.8 263.382  51
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   3   5   8 10674.9 250.765  20
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   3  -5   8 10190.1 227.324  34
  -3   5  -8 10342.9 277.769  56
  -3  -5  -8 10431.4 250.731  61
   3   5   8 9862.63 219.199   3
   3  -5   9 9186.50 223.158  49
  -3  -5  -9 9718.30 210.068  48
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   3   5   9 9680.07 216.355  20
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   3   5   9 9279.74 227.036  35
   3   5  10 3270.24 117.814  35
   3   5  10 3605.32 111.252  20
   3  -5  10 3586.02 107.497  31
  -3   5 -10 3663.66 123.840  58
  -3  -5 -10 3442.98 121.645  53
  -3  -6  12 5869.21 113.451  31
  -3  -6  12 5705.49 114.322  25
  -3   6  11 27175.4 420.603  18
  -3   6  11 27672.3 416.170  20
  -3   6  11 26097.1 416.676  55
  -3  -6  11 24600.1 395.561  30
  -3  -6  11 26476.4 420.265  31
  -3  -6  11 27060.6 427.588  34
   3   6 -11 23752.7 413.312  50
  -3  -6  11 27047.8 420.790  27
  -3  -6  11 27068.5 420.449  25
  -3   6  10 4133.98 183.815  60
  -3   6  10 4316.78 191.550  55
  -3  -6  10 4359.70 153.610  30
  -3  -6  10 4463.40 188.928  31
  -3  -6  10 4675.47 168.174  15
  -3  -6  10 4653.30 202.194  34
  -3   6  10 4804.15 190.809  18
  -3   6  10 4289.32 179.856  20
  -3  -6  10 4464.80 179.143  27
  -3  -6  10 4338.97 181.149  25
  -3   6   9 5323.37 230.534  60
  -3   6   9 5179.79 235.000  55
  -3  -6   9 4874.90 181.580  30
  -3  -6   9 5465.48 201.690  15
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  -3   6   9 5460.85 228.383  18
  -3   6   9 5527.58 212.531  20
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  -3  -6   9 4747.45 213.837  25
  -3  -6   8 2127.48 150.504  38
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  -3   6   8 2242.61 176.472  59
  -3   6   8 2262.36 199.261  18
  -3   6   8 2456.69 178.169  20
  -3   6   7 5470.16 223.988  18
  -3  -6   7 5332.55 327.378  40
   3   6  -7 5112.43 367.298  41
  -3  -6   7 5037.34 175.120  38
  -3  -6   7 5507.92 412.229  12
  -3  -6   7 5064.05 224.512  15
  -3   6   7 5542.58 214.741  31
  -3  -6   7 5148.42 223.872  34
  -3  -6   7 4908.12 179.752  30
  -3  -6   7 5610.80 184.365  52
   3  -6  -7 5477.88 361.778   9
  -3  -6   6 28891.9 661.224  40
   3  -6  -6 29547.2 716.076   9
   3   6  -6 30316.0 734.547   8
  -3  -6   6 30431.3 509.274  52
  -3   6   6 29242.3 491.752  50
  -3  -6   5 55694.0 1009.67  40
  -3   6   5 57329.6 1048.74  39
   3  -6  -5 55509.3 1062.30   9
   3   6  -5 55035.8 1080.37   8
  -3  -6   5 54610.1 999.871   7
  -3  -6   5 55893.1 857.673  15
  -3  -6   5 56646.2 866.005  52
  -3   6   5 56265.4 843.960  50
  -3  -6   4 4609.28 255.737  40
  -3   6   4 4610.41 275.716  39
   3   6  -4 4064.21 294.531   8
   3  -6  -4 4658.44 287.807   9
  -3  -6   4 4548.78 272.756   7
   3   6  -4 4258.94 139.426  14
  -3  -6   4 4466.62 153.062  15
  -3  -6   4 4546.93 167.579  52
   3   6  -4 4880.61 150.083  50
  -3   6   4 4587.78 143.706  50
   3   6  -3 7472.68 263.727  39
  -3  -6   3 7153.82 285.873  40
  -3   6   3 6861.25 301.339  39
   3   6  -3 7682.97 332.816   8
  -3  -6   3 7094.29 313.616   7
   3  -6  -3 7684.89 313.722   9
   3   6  -3 7394.23 169.628  14
  -3  -6   3 7688.57 177.428  15
  -3  -6   3 7651.83 196.523  52
   3   6  -3 8020.65 180.153  50
   3   6  -2 73650.1 1215.46  39
  -3   6   2 76286.2 1265.71  39
   3  -6  -2 78084.9 1275.84   9
  -3   6   2 77277.3 1117.89  53
  -3  -6   2 77268.9 1123.54  52
   3   6  -2 76797.7 1106.51  50
   3  -6  -1 120906. 1921.07  13
  -3  -6   1 124277. 1781.35  52
  -3   6   1 127919. 1779.58  53
   3   6  -1 123565. 1893.50  39
   3   6  -1 126742. 1977.92  42
  -3   6   1 125616. 1927.00  39
   3   6   0 1941.99 111.988  51
   3   6   0 1825.43 104.407  50
   3   6   0 2360.46 215.985  42
   3  -6   0 1780.12 166.339  40
   3   6   0 1809.34 180.775  39
  -3  -6   0 1802.00 117.883  47
   3   6   0 1883.06 104.725  16
   3  -6   0 1607.73 187.817  13
  -3  -6   0 1696.24 192.766  11
  -3  -6   0 1630.02 147.875   9
  -3  -6   0 2184.90 224.017   7
  -3   6   0 2094.46 113.251  53
   3  -6   0 2059.22 107.097  52
   3  -6   1 21500.6 490.261  40
   3   6   1 22570.1 512.088  39
   3   6   1 23011.8 376.127  50
  -3  -6  -1 21687.5 507.819  11
  -3   6  -1 22447.4 377.850  14
   3  -6   1 22347.0 384.938  52
  -3   6  -1 24698.0 386.893  53
  -3  -6  -1 20186.3 468.385   9
  -3  -6  -1 23320.3 543.959   7
   3   6   2 5066.75 150.668  50
   3  -6   2 5002.23 244.509  40
   3  -6   2 4439.25 208.572  46
   3   6   2 4630.67 271.122  39
   3   6   2 4820.10 151.599  16
  -3  -6  -2 4651.93 252.365  11
  -3   6  -2 4470.73 161.175  14
  -3  -6  -2 4174.73 224.540   9
  -3  -6  -2 5131.75 287.732   7
  -3   6  -2 5127.27 159.957  53
   3  -6   2 4771.15 136.363  49
  -3  -6  -2 5053.32 165.152  47
   3   6   3 4554.31 159.466  50
   3  -6   3 4884.59 154.220  49
  -3  -6  -3 4540.30 171.645  47
   3   6   3 4517.64 156.506  16
   3  -6   3 4592.36 260.282  40
  -3  -6  -3 4537.74 259.146  11
  -3  -6  -3 4681.32 269.764   7
  -3   6  -3 4418.75 165.917  53
   3  -6   3 4963.98 172.038  52
   3   6   4 66471.2 981.344  50
  -3  -6  -4 66027.7 983.093  47
   3  -6   4 66166.3 980.888  49
   3  -6   4 63940.7 1163.08  40
   3   6   4 63694.5 972.115  16
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   3  -6   4 68805.2 994.921  52
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   3   6   5 12585.1 273.073  16
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   3   6   5 13362.9 290.848  51
   3   6   5 13175.6 288.165  50
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   3  -6   5 12906.2 294.685  49
   3  -6   5 12166.8 444.283  40
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   3   6   5 13028.4 294.986  35
   3   6   5 13252.3 283.932  54
   3  -6   5 13213.6 294.604  52
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   3  -6   5 12423.8 275.931  17
   3   6   5 12639.4 292.454  26
   3   6   6 22910.4 419.325  51
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   3  -6   6 21641.9 425.597  49
   3  -6   6 21512.9 594.706  40
   3   6   6 22820.0 418.533  35
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   3  -6   6 20834.8 391.713  23
   3   6   6 22678.6 410.533  26
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   3  -6   6 23265.8 407.966  52
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   3   6   7 98891.8 1404.77  51
   3  -6   7 94258.9 1413.23  49
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   3   6   7 95598.7 1387.73  20
   3   6   7 98621.8 1408.21  35
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   3  -6   7 94005.9 1382.81  23
   3   6   7 93240.5 1394.15  26
   3   6   8 18.7108 144.857  51
   3  -6   8 98.2592 156.312  49
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   3   6   8 56.1245 121.909  20
   3   6   8-19.1364 149.875  35
  -3   6  -8 89.3237 175.628  14
   3  -6   8 60.9134 119.997  34
   3  -6   8 0.94519 105.448  23
   3   6   8 32.4034 118.229  26
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  -3   6  -8 187.412 170.212  56
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  -3   6  -9 4492.45 162.202  56
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   3   6   9 4479.93 129.550  20
   3   6   9 3997.25 154.894  35
   3  -6   9 4084.69 117.461  34
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   3  -6  10 4341.30 106.851  31
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  -3   7  11 8548.43 168.959  60
  -3   7  11 8559.05 177.369  55
  -3  -7  11 8964.65 176.566  27
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  -3   7  10 49795.2 745.690  20
  -3   7  10 52803.3 760.715  18
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  -3   7  10 50142.7 766.566  60
  -3   7  10 50947.1 771.639  55
  -3  -7  10 48995.5 739.588  30
  -3  -7  10 52421.2 762.922  31
   3   7 -10 48541.8 763.366  50
  -3  -7  10 50355.8 763.601  25
  -3  -7  10 50928.2 760.344  27
  -3   7   9 57875.9 897.503  55
  -3   7   9 56254.2 892.129  60
  -3  -7   9 56038.5 858.040  30
  -3  -7   9 59306.4 886.934  15
   3   7  -9 56106.3 884.024  50
  -3  -7   9 57616.9 874.628  27
  -3  -7   8 2029.81 142.237  38
  -3  -7   8 1772.38 203.709  34
  -3   7   8 2038.48 202.797  35
  -3  -7   8 1976.40 191.001  15
  -3   7   8 2207.07 182.665  18
  -3  -7   8 1978.54 151.591  30
  -3   7   7 25292.6 491.986  55
  -3  -7   7 24137.2 434.459  38
  -3   7   7 25068.4 487.066  35
  -3  -7   7 24675.5 441.088  30
  -3  -7   7 26290.0 479.421  34
  -3  -7   7 26221.3 455.720  52
  -3   7   7 27090.7 471.387  18
  -3  -7   6 30777.4 527.633  52
   3   7  -6 30187.2 515.877  50
  -3   7   6 30094.3 506.173  50
  -3   7   6 32231.7 524.803  18
   3   7  -6 29339.5 762.172   8
   3  -7  -6 28998.9 734.890   9
   3   7  -6 29418.2 748.890  41
  -3  -7   6 28966.2 681.689  40
  -3   7   6 30229.9 535.035  35
  -3  -7   6 30361.3 525.963  15
  -3  -7   6 30215.5 797.778  12
  -3  -7   6 29634.5 536.152  34
  -3  -7   6 28872.2 501.843  22
  -3  -7   5 7384.62 336.208  40
  -3   7   5 7294.50 360.388  39
   3   7  -5 7141.40 394.483   8
   3  -7  -5 7839.92 383.502   9
  -3  -7   5 7519.56 331.508   7
   3   7  -5 7413.92 201.109  14
  -3  -7   5 7562.09 226.478  15
  -3  -7   5 8083.56 233.849  52
  -3   7   5 7638.95 201.961  50
   3   7  -5 7211.47 218.305  50
  -3  -7   4 76554.4 1323.27  40
   3   7  -4 74059.9 1282.01  39
  -3   7   4 76652.0 1353.61  39
   3  -7  -4 76954.6 1365.10   9
  -3  -7   4 76892.3 1352.79   7
   3   7  -4 76732.2 1388.42   8
   3   7  -4 78012.1 1133.99  14
  -3  -7   4 76681.2 1141.33  15
  -3  -7   4 78412.0 1162.28  52
   3   7  -4 78855.8 1143.01  50
  -3   7   4 77734.6 1139.02  50
  -3   7   3 38703.1 796.291  39
   3   7  -3 38261.7 809.809   8
   3  -7  -3 37784.9 796.497   9
  -3  -7   3 35516.0 807.411   7
   3   7  -3 38483.7 596.406  14
  -3  -7   3 37666.6 596.688  15
   3   7  -3 39602.1 602.637  50
  -3   7   3 38734.3 603.114  50
   3   7  -3 38057.8 731.024  39
  -3  -7   3 37833.3 764.443  40
   3   7  -2 135314. 2112.27   8
   3  -7  -2 136925. 2108.70   9
  -3  -7   2 134001. 2140.17   7
   3   7  -2 131723. 2047.32  39
  -3   7   2 137149. 2101.81  39
  -3  -7   2 129004. 1903.00  47
  -3   7   2 135627. 1893.90  14
   3   7  -2 134473. 1900.83  14
  -3  -7   2 132647. 1892.78  15
   3  -7  -2 130343. 2090.64  13
  -3  -7   2 134126. 1916.60  52
   3   7  -2 137405. 1902.14  50
  -3   7   2 133903. 1899.93  50
  -3   7   1 54782.2 806.786  50
   3   7  -1 55381.7 808.574  50
  -3   7   1 55171.1 996.762  39
   3   7  -1 52038.6 951.106  39
  -3  -7   1 49683.4 816.193  47
  -3   7   1 53871.1 806.592  14
  -3  -7   1 53816.9 795.033  15
   3  -7  -1 54175.4 984.012  13
  -3   7   1 56832.4 818.868  53
  -3  -7   1 55595.9 819.907  52
   3  -7  -1 53736.1 807.422  52
   3   7  -1 50950.1 971.563   8
  -3   7   0 3388.20 132.717  50
   3   7   0 3336.72 141.974  50
   3  -7   0 3526.44 216.174  40
   3   7   0 3388.34 240.066  39
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   3   7   0 3223.67 142.820  16
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   4   1   6 17124.8 342.088  51
   4  -1   6 16969.1 346.514  49
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   4   1   6 18606.9 556.499   1
   4   1   6 17297.3 339.111   3
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   4   1   7 55806.4 861.284  26
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   4  -2  -8 28248.2 668.528  45
   4   2  -8 29434.2 674.179  41
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  -4   2   7 16912.1 516.165   1
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   4   2  -7 16972.5 459.692  41
   4  -2  -7 17299.5 453.416  45
   4   2  -7 17438.0 442.277   8
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   4   2  -6 127725. 1956.53  42
   4  -2  -6 132608. 1994.03  45
   4  -2  -6 131436. 1978.74  44
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   4   2  -5 124416. 1862.64  43
   4   2  -5 129122. 1890.68  42
   4  -2  -5 122169. 1860.91  45
   4  -2  -5 123132. 1849.07  44
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  -4  -2   5 131769. 1925.78   2
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  -4   2   5 127414. 1928.45   1
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   4   2  -4 6655.17 235.364  43
   4   2  -4 7309.08 242.634  42
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   4  -2  -4 6769.29 181.193  44
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   4  -2  -3 121386. 1680.40  45
   4  -2  -3 123359. 1733.89   9
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   4   2  -3 120730. 1747.65  10
   4   2  -2 3275.90 78.2092  39
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   4   2  -2 3832.46 185.105  43
   4  -2  -2 3571.24 74.6290  40
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   4   2  -2 3790.30 161.025  10
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   4  -2  -1 127671. 1803.23  40
   4  -2  -1 134513. 1875.37  13
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   4   2  -1 123735. 1904.94  10
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   4   2   0 8038.23 245.767  43
   4  -2   0 8467.99 187.603  40
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   4   2   0 8145.71 253.732  10
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   4   2   1 185201. 2725.71  43
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   4  -2   1 193507. 2728.20  46
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   4   2   2 67871.4 1077.21  43
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   4   2   6 14907.3 493.256   1
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   4  -2   6 13968.6 297.848   3
   4   2   6 14010.3 294.238   3
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   4   2   7 49104.8 757.158  51
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   4  -2   8 560.484 168.041  49
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   4   2   8 432.622 120.475  26
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   4   3  -7 84946.2 1403.98  41
   4  -3  -7 80211.1 1369.20  45
   4   3  -7 82637.6 1397.27   8
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   4   3  -6 7508.46 277.473  42
   4  -3  -6 7246.96 273.738  45
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   4   3  -6 6830.56 295.986   8
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   4   3  -5 18378.1 441.699  42
   4  -3  -5 18032.4 400.480  45
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   4   3  -4 25832.0 524.024  43
   4   3  -4 24646.0 534.680  42
   4  -3  -4 25354.9 463.734  45
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   4  -3  -4 26150.0 509.321   9
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   4   3  -3 48326.3 827.444  43
   4   3  -3 47656.0 830.352  42
   4   3  -3 44548.5 700.622  39
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   4  -3  -3 48959.4 785.592   9
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   4   3  -2 219661. 3214.36  39
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   4  -3  -2 234320. 3294.16  13
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  -4  -3   2 229922. 3332.42   7
   4  -3  -2 245455. 3281.45   9
  -4   3   2 224129. 3198.39  11
   4   3  -2 238942. 3338.09  43
  -4   3   2 234408. 3256.59  39
   4  -3  -1 221181. 3107.17  13
   4   3  -1 215806. 3050.65  39
   4  -3  -1 220917. 3036.39  40
  -4  -3   0 202536. 2849.40   7
  -4   3   0 204046. 2830.17   6
  -4  -3   0 194954. 2842.85  11
   4   3   0 198993. 2831.97  43
   4  -3   0 201499. 2801.67  46
   4  -3   0 200222. 2743.98  40
  -4  -3  -1 449.462 152.356   7
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   4  -3   7 586.585 149.025   3
   4   3   7 655.908 150.039   3
   4   3   7 709.076 169.290  35
   4   3   7 676.562 175.418  51
   4   3   7 704.764 144.974  26
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   4   3   9 14202.9 258.051  18
   4   3   9 13584.6 267.682  35
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   4   3  10 591.453 71.0427   3
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  -4   4   4 18108.8 402.758   2
  -4   4   3 3668.75 177.754  39
  -4  -4   3 3968.33 170.821   2
  -4   4   3 3555.86 160.986   2
  -4  -4   3 3138.26 166.391  40
   4   4  -3 4078.31 232.029  42
   4   4  -3 3525.68 137.099  39
   4  -4  -3 3655.34 196.276   9
  -4  -4   3 3814.21 220.733   7
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   4   4  -2 68042.4 1125.34  43
   4  -4  -2 71444.9 1080.12   9
  -4  -4   2 66190.0 1130.88   7
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  -4  -4   1 8534.05 225.530   2
   4  -4  -1 8345.39 259.910  13
  -4  -4   1 8389.90 276.375  11
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   4   4  -1 7153.91 272.558  42
   4  -4  -1 7740.45 202.667  40
   4  -4   0 5343.24 220.533  13
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  -4   4   0 5258.42 250.168   6
  -4  -4   0 5105.78 236.945  11
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   4   4   0 5285.99 222.312  42
   4   4   0 5484.80 197.352  39
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  -4  -4  -1 24439.3 530.788  11
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   4   4   1 23335.0 486.108  42
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  -4  -4  -2 3374.85 134.571  47
  -4  -4  -2 3538.50 234.093   7
  -4  -4  -2 3841.87 244.398  11
  -4   4  -2 3310.65 243.484   6
   4  -4   2 3496.61 194.213  46
   4   4   2 3331.02 178.184  42
   4  -4   2 3393.94 194.053  40
  -4   4  -2 3640.23 187.187  44
   4   4   2 3311.85 121.508  16
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   4   4   3 40024.6 607.010  50
   4  -4   3 39383.6 610.780  49
  -4  -4  -3 37079.2 615.461  47
  -4  -4  -3 40977.1 797.903  11
  -4  -4  -3 40330.4 776.160   7
  -4   4  -3 37700.9 786.962   6
  -4   4  -3 40376.4 626.770  53
   4  -4   3 40481.4 754.243  40
  -4  -4  -3 40018.8 796.658  45
  -4   4  -3 40346.1 760.069  44
  -4   4  -4 60185.3 941.980  53
   4  -4   4 61308.7 929.877  52
   4  -4   4 63333.1 1102.21  40
  -4  -4  -4 63173.2 1151.98  45
  -4   4  -4 63319.8 1124.60  44
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   4   4   4 63176.8 926.113  51
   4   4   4 62935.4 912.107  49
   4  -4   4 59509.6 928.644  49
  -4  -4  -4 61396.2 938.544  48
  -4  -4  -4 59347.0 925.978  47
   4   4   4 61318.6 920.855  16
  -4  -4  -4 64109.7 1130.19  11
  -4  -4  -4 67009.4 1096.37   7
  -4   4  -4 58805.8 1115.80   6
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  -4  -4  -5 1769.78 139.773  47
  -4  -4  -5 1798.22 170.818  48
   4  -4   5 1830.05 165.801  49
  -4  -4  -5 2022.92 295.718  45
  -4   4  -5 1670.77 271.595  44
   4  -4   5 1955.82 138.077   3
   4   4   5 2008.13 134.931   3
   4   4   5 2065.41 255.314   1
   4  -4   5 1949.73 252.268   1
  -4  -4  -5 1964.92 252.036  11
  -4   4  -5 1889.78 170.929  53
   4  -4   5 1770.76 143.075  52
   4   4   6 1244.08 172.442  51
   4   4   6 1464.99 129.093  49
   4  -4   6 1505.99 174.899  49
  -4  -4  -6 1623.39 180.421  48
  -4  -4  -6 1498.00 297.392  45
   4   4   6 1334.29 163.464  35
   4  -4   6 1462.23 131.183  52
  -4   4  -6 1379.13 198.186  53
   4   4   6 1334.10 246.609   1
   4  -4   6 1375.66 251.900   1
   4   4   6 1326.31 138.543   3
   4  -4   6 1263.28 139.410   3
  -4   4  -6 1381.38 195.507  56
  -4  -4  -6 1321.07 185.094  58
   4  -4   6 1195.02 145.764  23
   4   4   6 1246.66 159.937  26
  -4  -4  -7 24720.2 436.545  48
   4   4   7 23778.6 417.379   3
   4  -4   7 24218.0 419.770   3
   4   4   7 23850.5 434.392  51
  -4   4  -7 23869.9 451.703  53
   4   4   7 23599.9 422.297  26
   4  -4   7 23953.0 415.691  23
  -4  -4  -7 24213.3 452.804  61
  -4   4  -7 23109.5 460.784  56
  -4  -4  -8 19924.9 373.089  61
  -4   4  -8 19817.0 387.282  56
   4   4   8 20267.8 368.902  51
   4  -4   8 19061.3 372.142  49
  -4  -4  -8 20393.2 357.986  48
   4   4   8 20392.4 360.787  20
   4  -4   8 17174.5 331.319  20
   4   4   8 18826.0 362.959  35
   4   4   8 18526.7 335.818  26
  -4  -4  -8 19462.4 375.231  53
  -4   4  -8 19492.6 379.519  53
   4   4   8 18773.6 339.794   3
   4  -4   8 18745.7 342.618   3
  -4  -4  -9 13663.6 264.156  61
  -4   4  -9 13480.2 296.025  58
  -4   4  -9 14791.4 293.673  14
   4   4   9 13880.3 267.229  35
   4   4   9 14136.4 267.582  20
  -4  -4  -9 14172.9 280.455  53
  -4   4  -9 12977.4 265.913  53
   4   4   9 14049.2 248.305   3
   4  -4   9 13805.2 249.895   3
  -4  -4  -9 13255.0 254.168  48
   4  -4   9 13864.4 270.508  49
   4   4  10 11251.4 199.958  35
  -4  -4 -10 11477.7 208.959  53
   4   4  10 11898.9 200.557  20
  -4  -5  12 6438.87 146.272  25
  -4  -5  12 6527.04 137.476  31
  -4   5  12 6673.96 143.532  20
  -4   5  12 6208.59 148.111  18
  -4  -5  12 6120.63 147.512  34
  -4  -5  11 567.644 136.196  25
  -4  -5  11 393.845 133.763  27
  -4  -5  11 411.392 142.194  34
  -4  -5  11 464.289 129.309  31
  -4  -5  11 490.000 117.006  30
  -4   5  11 534.751 146.401  18
  -4   5  11 429.145 137.175  20
  -4  -5  10 688.707 168.584  27
  -4  -5  10 755.046 171.223  25
  -4  -5  10 746.155 122.465  38
  -4  -5  10 783.661 137.245  15
  -4  -5  10 768.296 182.243  34
  -4  -5  10 706.460 144.964  30
  -4   5  10 738.544 169.762  31
  -4  -5  10 768.847 169.221  31
  -4   5  10 678.555 163.318  60
  -4   5  10 815.441 166.530  55
  -4   5  10 658.189 183.263  18
  -4   5  10 934.975 180.202  20
  -4  -5   9 2121.52 157.784  38
  -4  -5   9 2342.89 172.196  15
  -4   5   9 2272.06 203.012  31
  -4  -5   9 2177.51 165.725  30
  -4   5   9 2479.58 163.428  59
  -4   5   9 2101.66 204.786  55
  -4   5   9 2090.37 162.784  57
  -4   5   9 2494.80 196.046  60
  -4   5   9 2066.86 216.268  18
  -4   5   9 2140.63 208.088  20
  -4   5   8 21449.5 428.748  18
  -4   5   8 22533.4 423.257  20
   4   5  -8 21005.0 622.087  41
  -4   5   8 20708.7 428.082  35
  -4  -5   8 21448.4 433.276  34
  -4  -5   8 20831.4 387.420  38
  -4  -5   8 21310.6 416.410  15
  -4  -5   8 22756.0 678.995  12
  -4  -5   8 21665.1 397.815  30
  -4   5   8 22097.7 429.209  31
   4  -5  -8 20496.9 595.685   9
  -4   5   8 21550.1 433.626  60
  -4   5   8 20188.5 432.937  55
  -4   5   8 21433.4 403.380  59
  -4  -5   7 27854.7 481.738  22
  -4   5   7 29914.7 511.824  18
   4   5  -7 27993.9 697.872  41
  -4  -5   7 26481.8 629.599  40
  -4  -5   7 28614.8 510.732  34
  -4  -5   7 27411.2 479.261  38
  -4   5   7 27988.3 512.711  35
  -4   5   7 28906.6 507.226  31
  -4   5   7 28721.8 516.609  55
  -4   5   7 27529.5 511.882  60
   4  -5  -7 27107.1 684.184   9
   4   5  -7 29050.4 711.062   8
  -4  -5   7 28365.2 502.597  15
  -4  -5   6 31855.9 656.521  40
  -4  -5   6 33423.8 803.829  12
  -4  -5   6 31168.3 532.224  15
   4   5  -6 32207.9 736.522   8
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   4   5  -4 16151.5 470.415  42
  -4  -5   4 16713.3 401.263  40
  -4   5   4 16668.6 415.693  39
  -4  -5   4 16060.8 300.135  15
  -4  -5   4 16772.9 387.056   2
  -4   5   4 15569.9 380.135   2
   4  -5  -4 16183.4 432.867   9
  -4  -5   4 16426.5 442.606   7
  -4  -5   4 15423.3 308.039  52
   4   5  -3 43045.2 826.649  42
   4   5  -3 42609.0 705.397  39
  -4   5   3 43559.0 767.351  39
   4  -5  -3 42792.7 789.734  13
  -4  -5   3 42679.6 635.682  15
  -4   5   3 40289.6 705.859   2
  -4  -5   3 41667.3 815.303   7
   4  -5  -3 43834.8 783.577   9
  -4  -5   3 39547.3 646.901  52
   4   5  -2 35821.5 624.919  39
   4  -5  -2 36531.6 693.961  13
  -4   5   2 34107.7 602.867   2
  -4   5   2 38424.3 676.557  39
   4  -5  -2 37306.9 686.154   9
  -4  -5   2 35638.7 736.642   7
  -4   5   1 2450.88 123.835   2
  -4  -5   1 2750.44 210.535  11
   4  -5  -1 2621.88 199.118  13
   4   5  -1 2839.18 159.389  39
   4   5  -1 2810.78 225.029  42
   4  -5  -1 2676.99 148.290  40
  -4  -5   0 123362. 1916.11  11
  -4  -5   0 124211. 1946.43   7
   4   5   0 130162. 1869.42  39
   4  -5   0 128112. 1840.20  40
   4   5   0 129164. 1914.22  42
   4   5   1 198895. 2861.35  42
   4  -5   1 194644. 2835.31  46
   4  -5   1 194376. 2820.77  40
   4   5   1 203127. 2858.02  39
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   4   5   1 196389. 2713.24  16
  -4  -5  -1 195446. 2898.77  11
  -4  -5  -1 194546. 2920.31   7
   4   5   1 194889. 2714.85  51
   4   5   2 9049.34 198.883  50
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   4  -5   2 9257.75 195.427  49
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   4   5   2 9227.98 281.464  42
   4  -5   2 9331.81 297.183  40
   4  -5   2 8839.03 294.049  46
   4  -5   3 285726. 3928.95  52
  -4   5  -3 282735. 3931.95  53
   4  -5   3 282672. 4085.89  40
   4   5   3 287878. 3919.44  51
   4   5   3 281161. 3915.25  50
   4  -5   3 272297. 3916.45  49
  -4  -5  -3 279005. 3927.07  47
   4   5   3 275343. 3916.13  16
  -4  -5  -3 290981. 4126.92   7
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   4  -5   4 9384.47 232.628  52
   4   5   4 8645.69 225.773  51
   4   5   4 8809.83 203.858  49
   4   5   4 9354.71 223.272  50
   4  -5   4 8963.38 231.229  49
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   4  -5   4 8865.42 356.543  40
   4   5   4 9165.04 342.091   1
   4   5   4 9550.56 199.871   3
  -4  -5  -4 9733.94 355.190   7
  -4  -5  -4 8471.98 367.483  11
   4   5   4 8541.09 220.993  16
   4  -5   5 36327.5 597.526  52
   4   5   5 36171.7 583.064  54
  -4   5  -5 35804.9 616.212  53
   4   5   5 37615.1 594.204  51
   4  -5   5 37020.4 601.735  49
  -4  -5  -5 37604.8 592.599  47
   4   5   5 35839.4 566.590  49
  -4  -5  -5 36596.7 614.018  48
  -4  -5  -5 36463.2 823.519  45
   4   5   5 34919.1 749.260   1
   4   5   5 35194.6 569.298   3
   4   5   5 37879.7 600.886  35
  -4   5  -5 34212.5 602.281  36
   4   5   5 37275.5 585.612  16
   4   5   5 35878.8 599.117  26
   4  -5   5 35986.2 581.315  23
  -4  -5  -5 37189.2 614.549  61
  -4  -5  -6 123382. 1720.75  47
   4  -5   6 117730. 1740.56  49
  -4  -5  -6 120405. 1746.38  48
   4   5   6 116826. 1711.55   3
   4   5   6 123111. 1739.19  35
   4   5   6 122885. 1733.47  51
   4  -5   6 120555. 1725.42  52
  -4   5  -6 121578. 1751.54  53
   4   5   6 119132. 1731.10  26
   4  -5   6 116833. 1719.61  23
  -4   5  -6 115060. 1751.77  56
  -4  -5  -6 121782. 1751.67  61
  -4   5  -7 2925.08 218.021  56
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   4   5   7 2933.69 182.102  51
   4  -5   7 2635.67 191.403  49
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   4   5   7 3117.36 173.441  20
   4   5   7 2845.32 180.874  35
   4   5   7 2842.92 166.350  26
   4  -5   7 2654.31 149.940  23
   4   5   7 2665.55 138.128   3
  -4   5  -7 2951.89 198.624  53
   4   5   8 23836.4 410.002  26
   4  -5   8 24103.0 406.577  23
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   4   5   8 24464.3 433.364  35
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   4   5   8 26168.8 423.394  20
  -4   5  -8 24553.5 437.203  53
  -4  -5  -8 25677.9 435.686  61
  -4   5  -8 25757.6 453.735  56
   4   5   9 42203.8 631.027  20
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  -4  -5  -9 42975.4 631.679  48
   4  -5   9 41996.3 642.254  49
  -4   5  -9 43999.4 661.840  58
  -4  -5  -9 41325.4 628.411  61
   4   5  10 7155.01 119.581  20
   4   5  10 7400.62 132.423  35
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  -4  -6  11 16886.7 302.682  27
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  -4   6  11 17125.1 296.339  20
  -4   6  11 17225.2 305.754  18
  -4   6  11 16689.2 295.444  55
  -4   6  11 17297.1 295.386  60
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  -4  -6  10 0.90786 102.995  38
  -4  -6  10 32.3064 125.284  15
  -4  -6  10 97.9526 130.221  30
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  -4   6  10 148.453 158.646  18
  -4   6  10 281.828 148.123  20
  -4   6  10 234.709 159.360  60
  -4   6  10 244.348 154.636  55
  -4  -6   9 23392.1 430.414  27
  -4  -6   9 22967.9 408.255  38
  -4  -6   9 24421.6 459.115  34
  -4  -6   9 24550.7 442.060  15
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  -4   6   9 23874.5 427.546  57
  -4   6   9 23012.6 450.865  55
  -4   6   9 23099.8 418.504  59
  -4   6   9 25004.2 455.916  18
  -4   6   9 25105.4 439.913  20
  -4  -6   8 9607.75 249.714  38
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  -4  -6   8 10283.5 283.867  15
  -4  -6   8 9791.21 257.802  30
  -4   6   8 10138.6 295.992  55
  -4   6   8 9636.15 298.813  60
  -4   6   8 10104.1 273.944  59
  -4   6   8 10760.5 291.893  18
  -4   6   8 10253.2 274.943  20
  -4   6   7 123683. 1716.56  18
  -4  -6   7 114973. 1684.27  19
   4   6  -7 114918. 1965.32  41
  -4  -6   7 112530. 1684.67  38
  -4  -6   7 117186. 1715.95  34
  -4  -6   7 117608. 1707.91  15
  -4  -6   7 124470. 2055.97  12
  -4  -6   7 115862. 1687.57  22
   4  -6  -7 112608. 1932.33   9
   4   6  -7 114005. 1970.19   8
  -4  -6   7 118738. 1689.72  52
   4  -6  -6 74160.9 1358.19   9
   4   6  -6 75815.7 1406.12   8
  -4  -6   6 80573.8 1468.55  12
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  -4  -6   6 71534.2 1294.73  40
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  -4   6   5 69341.3 1231.08  39
   4  -6  -5 68252.8 1250.71   9
   4   6  -5 71540.9 1294.74   8
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  -4  -6   5 69254.9 1048.31  15
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  -4  -6   5 70843.2 1056.60  52
   4   6  -5 71081.6 1032.79  50
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   4   6  -4 11937.2 433.983   8
   4  -6  -4 11768.2 402.941   9
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   4   6  -4 12652.5 243.209  50
   4   6  -3 95175.3 1555.57  42
  -4   6   3 91638.6 1475.90  39
   4   6  -3 89799.8 1298.92  50
   4  -6  -3 89692.2 1494.22  13
   4   6  -3 91312.5 1298.17  14
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   4  -6  -3 93931.1 1491.60   9
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   4   6  -2 27549.7 431.518  50
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   4  -6  -2 27597.6 600.529  13
   4  -6  -2 27129.3 431.174  52
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   4   6  -1 72918.9 1259.21  42
   4  -6  -1 71687.1 1148.34  40
  -4   6   1 73204.3 1209.29  39
   4   6  -1 71308.6 1167.92  39
  -4  -6   1 67649.4 1063.67  47
   4   6  -1 71715.9 1051.03  16
  -4  -6   1 69254.4 1232.84  11
  -4  -6   1 71786.7 1042.43  15
  -4  -6   1 72239.7 1061.50  52
  -4   6   1 75735.7 1062.45  53
   4  -6  -1 71130.5 1051.21  52
   4   6  -1 76109.0 1055.70  51
   4   6  -1 71911.1 1045.31  50
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   4  -6   0 128.543 141.750  40
   4   6   0 343.771 189.144  42
   4   6   0 492.758 161.604  39
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   4   6   0 235.706 102.773  16
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  -4   6   0 246.452 111.609  53
  -4  -6   0 186.037 96.0718  52
   4  -6   0 26.3048 96.3223  52
   4   6   0 308.673 89.3186  50
   4   6   0 207.301 103.732  51
   4  -6   1 32749.1 641.791  40
   4   6   1 33403.8 680.602  42
   4  -6   1 30921.7 641.642  46
   4   6   1 33358.3 673.355  39
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   4   6   1 33558.3 528.536  16
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   4  -6   1 33098.4 537.787  52
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   4   6   1 33729.2 532.676  51
   4   6   1 33679.8 524.651  50
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   4   6   2 866.808 122.151  51
   4   6   2 1525.53 123.672  50
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   4  -6   2 912.041 105.070  49
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   4  -6   2 724.565 175.895  40
   4  -6   2 858.094 167.484  46
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   4   6   3 357.072 135.155  51
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   4   6   3 363.995 127.837  50
   4  -6   3 322.825 118.920  49
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   4  -6   3 203.728 197.710  40
   4   6   3 286.525 129.936  16
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   4   6   4 11172.6 259.841  50
   4   6   4 11192.5 263.105  51
   4   6   4 10731.1 225.208  49
   4  -6   4 10404.1 255.596  49
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   4  -6   4 10225.3 394.502  40
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   4   6   4 10163.3 247.579  16
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   4  -6   4 10651.0 264.747  52
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   4   6   5 4847.34 188.363  16
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   4   6   5 5019.58 192.361  50
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   4  -6   5 4422.77 312.290  40
   4   6   5 4940.08 204.670  35
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   4   6   5 5107.43 190.368  54
   4  -6   5 4671.97 201.211  52
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   4  -6   5 4940.06 185.001  17
   4   6   5 4722.69 203.473  26
   4  -6   5 4736.03 180.060  23
   4   6   6 967.882 131.314  54
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   4  -6   6 862.190 143.977  52
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   4   6   6 906.782 169.932  35
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   4  -6   6 913.105 136.522  23
   4   6   6 1080.58 159.486  26
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   4   6   7 3109.87 169.603  26
   4  -6   7 3191.31 181.243  49
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   4   6   7 3344.76 151.735  20
   4   6   7 3441.20 173.491  35
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   4  -6   7 2925.88 147.877  34
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   4   6   8 455.165 108.421  26
   4  -6   8 425.042 98.0833  23
   4  -6   8 639.260 140.050  49
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   4   6   8 447.957 108.162  20
   4   6   8 525.148 142.642  35
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   4  -6   8 589.981 95.1928  34
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   4   6   9 5019.98 114.086  20
   4   6   9 5012.13 142.244  35
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  -4   7  10 47093.2 723.958  60
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   4   7  -9 1587.73 151.961  50
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   4   7  -8 519.701 160.648  50
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   4   7  -7 22833.5 431.341  50
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   4   7  -6 3457.39 179.970  50
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   4  -7  -6 3332.44 320.076   9
   4   7  -6 3933.54 353.334   8
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   4   7  -5 18003.2 574.621   8
   4  -7  -5 18001.1 542.102   9
   4  -7  -5 17535.1 541.284  13
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   4   7  -5 18078.8 339.043  50
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   4  -7  -4 2595.69 273.534   9
   4   7  -4 2468.53 296.535   8
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   4  -7  -4 2436.48 276.476  13
   4   7  -4 2663.87 129.507  14
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   4   7  -4 2257.28 141.126  50
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   4  -7  -3 50578.8 956.179   9
   4   7  -3 49099.9 980.200   8
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   4   7  -3 49632.1 745.017  14
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   4  -7  -3 47418.9 944.792  13
   4   7  -3 50028.8 745.899  50
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   4   7  -2 1293.23 225.564   8
   4   7  -2 1174.02 181.522  39
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   4  -7  -2 1374.45 103.442  52
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   4   7  -2 1633.80 116.886  50
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   4  -7  -1 6131.12 251.446  40
   4   7  -1 6274.38 279.806  39
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   4   7  -1 6263.82 179.614  16
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   4  -7  -1 6132.18 300.100  13
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   4  -7  -1 5785.61 172.462  52
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   4  -7   0 20158.9 353.621  52
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   4   7   1 135130. 1914.59  50
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   4   7   1 135235. 1919.01  51
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   4  -7   1 131492. 2050.31  46
   4   7   1 136667. 2103.66  39
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   4  -7   1 136158. 1924.95  52
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   4   7   1 130187. 1912.96  16
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   5   2  -8 35381.5 755.691  41
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   5   2  -7 114995. 1776.16   8
   5   2  -7 111937. 1768.82  41
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   5   2  -6 16715.2 419.205  42
  -5  -2   5 127325. 2011.69  12
  -5  -2   5 131165. 1952.71   2
  -5   2   5 129096. 1946.13   2
   5  -2  -5 125317. 1884.64   9
   5   2  -5 124965. 1940.73  42
   5  -2  -4 137361. 1978.37  13
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  -5   2   4 134361. 2017.77   2
   5  -2  -4 137066. 1958.13   9
   5   2  -4 135047. 2033.90  43
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   5   2  -2 7415.29 252.018  10
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   5   2  -1 101523. 1528.38  10
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   5  -2  -1 102238. 1504.13  46
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   5   2   8 29015.3 474.367   3
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   5   2   9 1507.52 108.762   3
   5  -2   9 1613.92 110.487   3
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   5   2  10 176.151 72.8973  20
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   5   3  -8 126787. 2073.16   8
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   5   3  -8 131219. 2099.20  41
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  -5   3   8 127081. 1874.86  59
  -5   3   8 127359. 1885.23  60
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  -5  -3   8 130531. 1876.92  27
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   5   3  -7 4242.65 287.704   8
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   5  -3  -6 51116.8 918.491   9
   5   3  -6 52292.6 966.155   8
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   5  -3  -4 622.464 145.904  13
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   5   3  -4 1014.98 175.237  43
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   5   3  -4 492.388 185.526  42
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   5  -3  -3 37036.8 630.687   9
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   5   3  -2 97957.0 1574.04  43
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   5  -3  -1 77.3174 133.788  13
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   5  -3  -1 76.0833 133.692  46
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   5   3   0 160009. 2376.17  43
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   5  -3   0 157603. 2278.38  40
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   5   3   1 23689.4 511.026  43
   5  -3   1 23762.3 502.431  46
   5  -3   1 24640.2 463.667  40
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   5  -3   2 3305.74 122.398  49
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   5   3   2 3366.69 127.040  16
   5  -3   2 3583.18 195.004  40
   5   3   2 3746.84 206.302  43
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   5   3   2 3705.93 122.321  51
   5   3   3 9354.64 202.229  50
   5   3   3 9385.87 210.054  49
   5   3   3 9487.44 209.949  51
   5  -3   3 9104.20 211.711  49
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   5  -3   3 10125.7 315.903  10
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   5   3   3 9566.87 213.547  16
   5  -3   4 116474. 1732.79  49
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   5   3   4 122107. 1726.19  49
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  -5  -3  -4 121272. 1951.76  45
  -5   3  -4 128796. 1964.61  44
   5   3   4 122724. 1727.54  51
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   5  -3   5 10688.7 234.478  52
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   5   3   5 10496.5 252.016  51
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   5   3   5 10544.1 238.545  49
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   5   3   5 10323.1 248.271  37
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   5   3   6 38518.8 609.712  51
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   5   3   6 38387.7 596.469  49
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   5   3   6 37401.5 597.007   3
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   5   3   7 34273.8 545.310  49
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   5   3   7 33997.7 555.552   3
   5  -3   7 34640.0 557.708   3
   5   3   7 33615.8 562.960  35
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   5   3   7 35757.2 566.273  51
   5  -3   7 34426.8 554.249  23
   5   3   7 34078.6 551.573  26
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   5   3   8 23440.8 395.486  20
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   5   3   8 22124.1 391.350  35
   5  -3   8 21189.1 362.999  37
   5  -3   8 22707.7 399.212  49
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   5   3   8 21094.8 366.409  26
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   5   3   8 22259.2 377.815   3
   5  -3   8 21382.3 380.173   3
   5   3   9 3453.91 103.688  18
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   5  -3   9 3546.80 129.980  49
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   5   3   9 3402.57 117.242   3
   5  -3   9 3590.41 118.270   3
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   5   3  10 1347.83 69.4665  20
   5   3  10 1205.04 56.9924  35
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   7  -4  -3 112181. 1744.19  13
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   7   4  -3 108441. 1826.47  43
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   7  -4  -3 110080. 1777.49  46
   7   4  -3 110428. 1830.42  42
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   7   6  -2 52.0209 127.267  51
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   7   6  -1 8366.14 219.228  51
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 -13  -5   3 5491.59 151.893  19
 -13   5   2 15077.1 277.919  33
 -13  -5   2 15678.7 270.929  19
  13   5  -2 15098.3 249.069  54
 -13   5   1 11725.6 193.966  29
  13   5  -1 10993.5 184.308  54
  13  -5   0 753.016 42.2596  26
  13   5   0 921.262 63.0245  54
  13   5   1 11004.5 167.373  54
 -13  -6   6 3117.26 90.6289  19
 -13   6   6 3044.79 103.725  29
 -13  -6   5 23899.1 365.105  22
 -13  -6   5 23020.5 359.818  19
 -13  -6   4 1558.05 95.3520  22
 -13   6   4 1606.35 124.404  29
 -13  -6   4 1506.15 89.3948  19
 -13   6   3 10254.5 207.156  33
 -13   6   3 10086.0 208.047  29
 -13  -6   3 9931.95 179.135  19
 -13   6   2 359.150 82.0267  33
 -13   6   2 264.611 87.2011  29
 -13  -6   2 315.861 65.5469  19
  13   6  -2 214.875 43.7095  54
 -13   6   1 8176.14 143.824  29
 -13  -6   1 7940.95 134.163  19
  13   6  -1 7923.50 133.166  54
 -13   7   4 183.205 69.5542  33
 -13  -7   4 164.800 51.7205  22
 -13   7   3 4600.23 108.168  29
 -13   7   3 4322.55 105.496  33
 -13  -7   3 4412.76 95.2967  22
 -13  -7   2 9089.49 148.466  22
 -14   0   7-101.386 91.3773   5
 -14   0   7 24.1191 92.0161   4
 -14   0   6 32036.1 500.139   5
 -14   0   6 32140.3 501.726   4
 -14   0   5-11.9365 103.822  29
 -14   0   5 120.469 115.470   5
 -14   0   5 58.2455 118.859   4
 -14   0   4 26349.3 417.630   5
 -14   0   4 27053.8 420.937   4
 -14   0   3 73.7718 114.961   5
 -14   0   3-46.1405 116.616   4
 -14   0   2 185.686 108.060   5
 -14   0   2 165.150 108.222   4
 -14   0   1 17.5397 88.7469   5
 -14   0   1 22.3375 91.8870   4
 -14   0   0 17720.5 279.705   5
 -14   0   0 18264.0 280.831   4
 -14   1   7 13607.1 244.939   5
 -14  -1   7 13861.8 245.139   5
 -14   1   7 14142.9 247.286   4
 -14  -1   6 916.066 109.613   5
 -14   1   6 976.857 117.301  29
 -14   1   6 753.853 106.789   5
 -14  -1   6 982.025 108.109   4
 -14   1   6 849.601 109.318   4
 -14  -1   6 733.263 87.9101  19
 -14   1   5 1921.17 126.680   5
 -14  -1   5 2281.58 126.508   5
 -14   1   5 1921.80 126.286  29
 -14  -1   5 2004.47 129.688   4
 -14   1   5 1971.26 130.529   4
 -14  -1   5 1872.33 109.219  19
 -14   1   4 646.974 99.4980  29
 -14   1   4 617.662 120.293   5
 -14  -1   4 648.047 118.881   5
 -14  -1   4 738.061 123.737   4
 -14   1   4 684.305 124.344   4
 -14  -1   4 618.483 103.627  19
 -14   1   3 3948.05 144.211   5
 -14  -1   3 3815.56 144.067   5
 -14  -1   3 4258.60 143.985   4
 -14   1   3 3994.67 147.489   4
 -14  -1   3 3780.82 130.002  19
 -14   1   2 24221.4 390.419   5
 -14  -1   2 24138.3 387.777   5
 -14  -1   2 24963.9 390.582   4
 -14   1   2 24433.0 391.644   4
 -14  -1   2 23883.6 380.617  19
 -14   1   1 2811.36 108.320   5
 -14  -1   1 2911.57 105.030   5
 -14  -1   1 2926.26 107.857   4
 -14   1   1 2931.13 108.666   4
 -14  -1   1 2758.50 94.2818  19
 -14  -1   0 5308.46 105.341   5
 -14  -1   0 5164.62 106.888   4
 -14   1   0 5097.06 107.633   4
 -14  -2   7 22658.9 342.412   5
 -14   2   7 22302.0 352.811  29
 -14  -2   7 21800.7 343.870   4
 -14   2   7 22770.6 345.834   4
 -14  -2   7 21650.0 339.439  19
 -14   2   6 764.206 98.2858   5
 -14  -2   6 836.490 92.5919   5
 -14   2   6 845.339 107.987  29
 -14   2   6 814.533 94.4138   4
 -14  -2   6 703.628 97.2017   4
 -14  -2   6 695.399 94.0919  19
 -14   2   5 1287.36 109.660   5
 -14  -2   5 1306.08 109.465   5
 -14   2   5 1492.02 114.112  29
 -14  -2   5 1425.16 108.875   4
 -14   2   5 1325.35 108.870   4
 -14  -2   5 1438.28 104.924  19
 -14   2   4 1576.12 118.029   5
 -14  -2   4 1697.78 111.931   5
 -14   2   4 1411.05 114.171  29
 -14  -2   4 1650.63 115.464   4
 -14   2   4 1596.86 116.094   4
 -14  -2   4 1561.89 106.895  19
 -14   2   3 14987.1 265.630   5
 -14  -2   3 15389.8 263.590   5
 -14  -2   3 15049.3 266.111   4
 -14   2   3 15186.5 270.539   4
 -14  -2   3 15488.4 263.746  19
 -14   2   2 2338.87 111.278   5
 -14  -2   2 2238.44 101.755   5
 -14  -2   2 2523.39 107.142   4
 -14   2   2 2403.68 109.427   4
 -14  -2   2 2263.53 109.881  19
 -14   2   1 18223.2 299.683   5
 -14  -2   1 18023.6 297.916   5
 -14  -2   1 20075.8 298.592   4
 -14   2   1 20470.4 302.255   4
 -14  -2   1 18734.0 300.846  19
 -14  -2   0 50.6373 45.0990  19
 -14  -3   7 847.425 63.1814  19
 -14  -3   6 8531.73 161.865   5
 -14   3   6 9837.41 190.516  29
 -14  -3   6 8724.40 162.392   4
 -14  -3   6 10437.8 179.519  19
 -14   3   5 6399.94 155.939  29
 -14  -3   5 5919.41 130.523   4
 -14   3   4 412.348 95.2133  29
 -14  -3   4 333.992 73.8817   5
 -14  -3   4 476.761 77.9065   4
 -14   3   3 486.283 77.0800  29
 -14  -3   3 410.158 77.3015   5
 -14  -3   3 453.037 76.1428   4
 -14  -3   2 4109.97 98.2893   5
 -14  -3   2 4221.92 98.0553   4
 -14  -4   6 10116.1 169.896  19
 -14   4   6 9320.49 176.629  29
 -14  -4   5 109.812 71.8888  19
 -14   4   5 50.4144 85.4128  29
 -14  -4   4 47141.2 685.871  19
 -14   4   4 47632.3 689.585  29
 -14  -4   3 6304.16 130.912  19
 -14   4   3 5619.14 122.834  29
 -14  -4   2 4283.80 100.050  19
 -14  -5   4 1984.50 60.2740  19
 -14   5   4 2004.24 69.8309  29
   0   0   0    0.00    0.00   0
TITL ij2016_auto in P2(1)/c
REM P2(1)/c (#14 in standard setting)
CELL 1.54184  11.676273  11.618613  10.606618  90.0000 107.5929  90.0000
ZERR    4.00   0.000073   0.000061   0.000066   0.0000   0.0007   0.0000
LATT  1
SYMM -x, y+1/2,-z+1/2
SFAC C H N O S Co
UNIT 40.00 52.00 12.00 8.00 8.00 4.00
REM  CrysAlisPro recorded range (K): Min=99.9; max=100.0; aver:100.0
TEMP -173
TREF
HKLF 4
END
;
_shelx_hkl_checksum              61289
_shelx_res_file
;
TITL ij2016_a.res in P2(1)/c
    ij2016.res
    created by SHELXL-2016/6 at 17:08:42 on 01-Dec-2023
REM Old TITL ij2016_auto in P2(1)/c
REM SHELXT solution in P2(1)/c
REM R1 0.081, Rweak 0.083, Alpha 0.046, Orientation as input
REM Formula found by SHELXT: C11 N2 O2 S2 Co
CELL 1.54184 11.676273 11.618613 10.606618 90 107.5929 90
ZERR 4 0.000073 0.000061 0.000066 0 0.0007 0
LATT 1
SYMM -X,0.5+Y,0.5-Z
SFAC C H Co N O S
UNIT 40 52 4 12 8 8
EQIV $1 +X,0.5-Y,0.5+Z
EQIV $2 1-X,0.5+Y,1.5-Z
EQIV $3 2-X,1-Y,1-Z
EQIV $4 1-X,1-Y,2-Z
DFIX 0.84 O21 H21
L.S. 10
PLAN  5
TEMP -173
HTAB C11 S2_$2
HTAB C11 O21
HTAB C12 S1_$3
HTAB O21 S1_$1
HTAB C22 S2_$4
BOND $H
HTAB
list 4
fmap 2 53
acta
REM <olex2.extras>
REM <HklSrc "%.\\ij2016.hkl">
REM </olex2.extras>
WGHT    0.030300    0.988600
EXTI    0.000835
FVAR       5.54398
CO1   3    0.564023    0.376574    0.583619    11.00000    0.01275    0.01291 =
         0.00940    0.00058    0.00570    0.00043
N1    4    0.705621    0.287473    0.555567    11.00000    0.01767    0.01789 =
         0.01455    0.00038    0.00667    0.00263
C1    1    0.778331    0.252582    0.511588    11.00000    0.01636    0.01521 =
         0.01442   -0.00044    0.00329   -0.00101
S1    6    0.882956    0.201818    0.452201    11.00000    0.01501    0.02624 =
         0.02722   -0.00874    0.01044   -0.00084
N2    4    0.518023    0.311617    0.742138    11.00000    0.01780    0.01668 =
         0.01357    0.00133    0.00697    0.00061
C2    1    0.477816    0.293360    0.827477    11.00000    0.01508    0.01367 =
         0.01352    0.00043    0.00326    0.00228
S2    6    0.418385    0.268619    0.947600    11.00000    0.02135    0.02055 =
         0.01625    0.00563    0.01250    0.00594
O11   5    0.566992    0.489096    0.430043    11.00000    0.01249    0.01637 =
         0.01452    0.00332    0.00922    0.00138
N11   4    0.665461    0.503017    0.389136    11.00000    0.01271    0.01316 =
         0.01298    0.00184    0.00669    0.00069
C11   1    0.760686    0.560676    0.466811    11.00000    0.01700    0.01867 =
         0.01386   -0.00044    0.00515    0.00068
AFIX  43
H11   2    0.759449    0.589098    0.550371    11.00000   -1.20000
AFIX   0
C12   1    0.860126    0.578396    0.424735    11.00000    0.01486    0.02134 =
         0.01805   -0.00095    0.00599   -0.00218
AFIX  43
H12   2    0.927076    0.619664    0.479306    11.00000   -1.20000
AFIX   0
C13   1    0.863105    0.536206    0.302765    11.00000    0.01617    0.02065 =
         0.01808    0.00312    0.00870    0.00100
C14   1    0.763253    0.474853    0.227555    11.00000    0.02058    0.02118 =
         0.01522   -0.00077    0.00917    0.00135
AFIX  43
H14   2    0.762990    0.443743    0.144637    11.00000   -1.20000
AFIX   0
C15   1    0.665068    0.458671    0.271600    11.00000    0.01831    0.01729 =
         0.01445   -0.00212    0.00628   -0.00174
AFIX  43
H15   2    0.597523    0.416577    0.219592    11.00000   -1.20000
AFIX   0
C16   1    0.969376    0.557204    0.254088    11.00000    0.02155    0.04590 =
         0.02419   -0.00123    0.01433   -0.00536
AFIX 137
H16A  2    0.984966    0.488350    0.208476    11.00000   -1.50000
H16B  2    1.040050    0.574519    0.329344    11.00000   -1.50000
H16C  2    0.952495    0.622453    0.192663    11.00000   -1.50000
AFIX   0
O21   5    0.705605    0.468014    0.726696    11.00000    0.01545    0.01802 =
         0.01299   -0.00170    0.00515    0.00072
H21   2    0.750738    0.416720    0.764125    11.00000    0.03629
C21   1    0.686392    0.543385    0.826628    11.00000    0.01692    0.01957 =
         0.01652   -0.00391    0.00671    0.00114
AFIX  23
H21A  2    0.671358    0.496901    0.898243    11.00000   -1.20000
H21B  2    0.614811    0.591950    0.787326    11.00000   -1.20000
AFIX   0
C22   1    0.794869    0.619099    0.883143    11.00000    0.02246    0.02663 =
         0.02632   -0.00975    0.00884   -0.00423
AFIX 137
H22A  2    0.808629    0.666175    0.812428    11.00000   -1.50000
H22B  2    0.865522    0.570888    0.922494    11.00000   -1.50000
H22C  2    0.780882    0.669390    0.951198    11.00000   -1.50000
AFIX   0
HKLF 4
REM  ij2016_a.res in P2(1)/c
REM R1 =  0.0221 for    2909 Fo > 4sig(Fo)  and  0.0223 for all    2937 data
REM    170 parameters refined using      1 restraints
END
WGHT      0.0303      0.9885
REM Instructions for potential hydrogen bonds
HTAB C11 S2_$2
HTAB C11 O21
HTAB C12 S1_$3
HTAB O21 S1_$1
HTAB C22 S2_$4
REM Highest difference peak  0.349,  deepest hole -0.292,  1-sigma level  0.052
Q1    1   0.6203  0.3777  0.5484  11.00000  0.05    0.35
Q2    1   0.9150  0.5552  0.2819  11.00000  0.05    0.33
Q3    1   0.4655  0.2819  0.8966  11.00000  0.05    0.32
Q4    1   0.8255  0.2190  0.4833  11.00000  0.05    0.31
Q5    1   0.8069  0.5147  0.2565  11.00000  0.05    0.29
;
_shelx_res_checksum              4977
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
Co Co1 0.56402(2) 0.37657(2) 0.58362(2) 0.01116(8) Uani d 1 . .
N N1 0.70562(11) 0.28747(11) 0.55557(12) 0.0163(3) Uani d 1 . .
C C1 0.77833(13) 0.25258(12) 0.51159(14) 0.0156(3) Uani d 1 . .
S S1 0.88296(3) 0.20182(3) 0.45220(4) 0.02192(10) Uani d 1 . .
N N2 0.51802(11) 0.31162(11) 0.74214(12) 0.0155(2) Uani d 1 . .
C C2 0.47782(13) 0.29336(12) 0.82748(14) 0.0143(3) Uani d 1 . .
S S2 0.41839(3) 0.26862(3) 0.94760(3) 0.01787(9) Uani d 1 . .
O O11 0.56699(9) 0.48910(9) 0.43004(10) 0.0133(2) Uani d 1 . .
N N11 0.66546(11) 0.50302(10) 0.38914(12) 0.0123(2) Uani d 1 . .
C C11 0.76069(13) 0.56068(13) 0.46681(14) 0.0164(3) Uani d 1 . .
H H11 0.759449 0.589098 0.550371 0.020 Uiso calc 1 . .
C C12 0.86013(13) 0.57840(13) 0.42474(15) 0.0179(3) Uani d 1 . .
H H12 0.927076 0.619664 0.479306 0.021 Uiso calc 1 . .
C C13 0.86310(13) 0.53621(13) 0.30276(15) 0.0175(3) Uani d 1 . .
C C14 0.76325(14) 0.47485(13) 0.22755(15) 0.0182(3) Uani d 1 . .
H H14 0.762990 0.443743 0.144637 0.022 Uiso calc 1 . .
C C15 0.66507(13) 0.45867(13) 0.27160(14) 0.0164(3) Uani d 1 . .
H H15 0.597523 0.416577 0.219592 0.020 Uiso calc 1 . .
C C16 0.96938(15) 0.55720(18) 0.25409(17) 0.0289(4) Uani d 1 . .
H H16A 0.984966 0.488350 0.208476 0.043 Uiso calc 1 . .
H H16B 1.040050 0.574519 0.329344 0.043 Uiso calc 1 . .
H H16C 0.952495 0.622453 0.192663 0.043 Uiso calc 1 . .
O O21 0.70560(9) 0.46801(9) 0.72670(10) 0.0153(2) Uani d 1 . .
H H21 0.7507(19) 0.4167(18) 0.764(2) 0.036(6) Uiso d 1 . .
C C21 0.68639(13) 0.54339(13) 0.82663(15) 0.0173(3) Uani d 1 . .
H H21A 0.671358 0.496901 0.898243 0.021 Uiso calc 1 . .
H H21B 0.614811 0.591950 0.787326 0.021 Uiso calc 1 . .
C C22 0.79487(16) 0.61910(14) 0.88314(18) 0.0248(4) Uani d 1 . .
H H22A 0.808629 0.666175 0.812428 0.037 Uiso calc 1 . .
H H22B 0.865522 0.570888 0.922494 0.037 Uiso calc 1 . .
H H22C 0.780882 0.669390 0.951198 0.037 Uiso calc 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
Co1 0.01275(12) 0.01291(13) 0.00940(12) 0.00043(8) 0.00570(9) 0.00058(8)
N1 0.0177(6) 0.0179(6) 0.0145(6) 0.0026(5) 0.0067(5) 0.0004(5)
C1 0.0164(7) 0.0152(7) 0.0144(6) -0.0010(5) 0.0033(5) -0.0004(5)
S1 0.01501(17) 0.0262(2) 0.0272(2) -0.00084(14) 0.01044(14) -0.00874(15)
N2 0.0178(6) 0.0167(6) 0.0136(6) 0.0006(5) 0.0070(5) 0.0013(5)
C2 0.0151(6) 0.0137(6) 0.0135(6) 0.0023(5) 0.0033(5) 0.0004(5)
S2 0.02135(18) 0.02055(18) 0.01625(17) 0.00594(13) 0.01250(14) 0.00563(13)
O11 0.0125(5) 0.0164(5) 0.0145(5) 0.0014(4) 0.0092(4) 0.0033(4)
N11 0.0127(5) 0.0132(5) 0.0130(5) 0.0007(4) 0.0067(4) 0.0018(4)
C11 0.0170(7) 0.0187(7) 0.0139(6) 0.0007(6) 0.0051(5) -0.0004(5)
C12 0.0149(7) 0.0213(7) 0.0181(7) -0.0022(6) 0.0060(5) -0.0009(6)
C13 0.0162(7) 0.0206(7) 0.0181(7) 0.0010(6) 0.0087(6) 0.0031(6)
C14 0.0206(7) 0.0212(7) 0.0152(7) 0.0013(6) 0.0092(6) -0.0008(6)
C15 0.0183(7) 0.0173(7) 0.0145(6) -0.0017(6) 0.0063(5) -0.0021(5)
C16 0.0216(8) 0.0459(11) 0.0242(8) -0.0054(7) 0.0143(7) -0.0012(7)
O21 0.0154(5) 0.0180(5) 0.0130(5) 0.0007(4) 0.0052(4) -0.0017(4)
C21 0.0169(7) 0.0196(7) 0.0165(7) 0.0011(6) 0.0067(6) -0.0039(6)
C22 0.0225(8) 0.0266(9) 0.0263(8) -0.0042(6) 0.0088(7) -0.0098(6)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Co1 N2 . . 110.80(5) y
N1 Co1 S2 . 4_565 90.75(4) y
N1 Co1 O11 . 3_666 160.49(5) y
N1 Co1 O11 . . 89.92(4) y
N1 Co1 O21 . . 82.55(5) y
N2 Co1 S2 . 4_565 85.67(4) y
N2 Co1 O11 . 3_666 88.01(4) y
N2 Co1 O11 . . 158.96(5) y
N2 Co1 O21 . . 86.53(5) y
O11 Co1 S2 . 4_565 98.02(3) y
O11 Co1 S2 3_666 4_565 95.96(3) y
O11 Co1 O11 . 3_666 71.03(4) y
O11 Co1 O21 . . 92.89(4) y
O21 Co1 S2 . 4_565 167.20(3) y
O21 Co1 O11 . 3_666 93.90(4) y
C1 N1 Co1 . . 163.29(12) ?
N1 C1 S1 . . 178.79(14) ?
C2 N2 Co1 . . 166.81(12) ?
N2 C2 S2 . . 178.99(14) ?
C2 S2 Co1 . 4_566 100.98(5) ?
Co1 O11 Co1 . 3_666 108.96(4) ?
N11 O11 Co1 . . 122.53(8) ?
N11 O11 Co1 . 3_666 122.99(8) ?
C11 N11 O11 . . 119.16(12) ?
C11 N11 C15 . . 121.87(12) ?
C15 N11 O11 . . 118.97(12) ?
N11 C11 H11 . . 120.1 ?
N11 C11 C12 . . 119.79(13) ?
C12 C11 H11 . . 120.1 ?
C11 C12 H12 . . 119.8 ?
C11 C12 C13 . . 120.49(14) ?
C13 C12 H12 . . 119.8 ?
C12 C13 C16 . . 121.15(14) ?
C14 C13 C12 . . 117.39(14) ?
C14 C13 C16 . . 121.46(14) ?
C13 C14 H14 . . 119.5 ?
C15 C14 C13 . . 120.97(14) ?
C15 C14 H14 . . 119.5 ?
N11 C15 C14 . . 119.46(14) ?
N11 C15 H15 . . 120.3 ?
C14 C15 H15 . . 120.3 ?
C13 C16 H16A . . 109.5 ?
C13 C16 H16B . . 109.5 ?
C13 C16 H16C . . 109.5 ?
H16A C16 H16B . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
Co1 O21 H21 . . 103.2(17) ?
C21 O21 Co1 . . 124.02(9) ?
C21 O21 H21 . . 107.9(17) ?
O21 C21 H21A . . 109.6 ?
O21 C21 H21B . . 109.6 ?
O21 C21 C22 . . 110.31(12) ?
H21A C21 H21B . . 108.1 ?
C22 C21 H21A . . 109.6 ?
C22 C21 H21B . . 109.6 ?
C21 C22 H22A . . 109.5 ?
C21 C22 H22B . . 109.5 ?
C21 C22 H22C . . 109.5 ?
H22A C22 H22B . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
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
Co1 N1 . 2.0472(13) y
Co1 N2 . 2.0569(12) y
Co1 S2 4_565 2.5171(4) y
Co1 O11 . 2.0971(10) y
Co1 O11 3_666 2.1594(10) y
Co1 O21 . 2.1559(10) y
N1 C1 . 1.158(2) ?
C1 S1 . 1.6438(15) ?
N2 C2 . 1.158(2) ?
C2 S2 . 1.6498(15) ?
O11 N11 . 1.3557(15) ?
N11 C11 . 1.3454(19) ?
N11 C15 . 1.3477(18) ?
C11 H11 . 0.9500 ?
C11 C12 . 1.379(2) ?
C12 H12 . 0.9500 ?
C12 C13 . 1.394(2) ?
C13 C14 . 1.393(2) ?
C13 C16 . 1.501(2) ?
C14 H14 . 0.9500 ?
C14 C15 . 1.375(2) ?
C15 H15 . 0.9500 ?
C16 H16A . 0.9800 ?
C16 H16B . 0.9800 ?
C16 H16C . 0.9800 ?
O21 H21 . 0.815(16) ?
O21 C21 . 1.4437(17) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
C21 C22 . 1.509(2) ?
C22 H22A . 0.9800 ?
C22 H22B . 0.9800 ?
C22 H22C . 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C11 H11 S2 2_656 0.95 2.95 3.4900(15) 117.5
C11 H11 O21 . 0.95 2.57 3.2004(18) 124.4
C12 H12 S1 3_766 0.95 2.96 3.8544(16) 156.9
O21 H21 S1 4_566 0.815(16) 2.529(17) 3.3028(11) 159(2)
C22 H22C S2 3_667 0.98 2.93 3.7185(18) 138.0