#------------------------------------------------------------------------------
#$Date: 2017-11-09 05:53:59 +0200 (Thu, 09 Nov 2017) $
#$Revision: 202994 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/47/7044718.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7044718
loop_
_publ_author_name
'pappuru, sreenath'
'Chakraborty, Debashis'
'V, Ramkumar'
_publ_section_title
;
 Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide
 Ligands Supported Nb and Ta Metal Complexes and their Application for the
 Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation
 of Glycidol
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT02839C
_journal_year                    2017
_chemical_formula_sum            'C52 H40 Cl8 N12 Nb4 O8'
_chemical_formula_weight         1616.20
_space_group_crystal_system      tetragonal
_space_group_IT_number           126
_space_group_name_Hall           '-P 4a 2bc'
_space_group_name_H-M_alt        'P 4/n n c'
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-01 deposited with the CCDC.
2017-11-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.028(4)
_cell_length_b                   20.028(4)
_cell_length_c                   20.966(5)
_cell_measurement_reflns_used    880
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.18
_cell_measurement_theta_min      2.42
_cell_volume                     8410(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1824
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29020
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        20.036
_diffrn_reflns_theta_max         20.036
_diffrn_reflns_theta_min         1.406
_exptl_absorpt_coefficient_mu    0.831
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.886
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             3200
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.932
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         1985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0619
_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/[σ²(Fo²)+(0.0859P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1591
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1353
_reflns_number_total             1985
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02839c2.cif
_cod_data_source_block           tri-nb-sq
_cod_original_cell_volume        8410(4)
_cod_database_code               7044718
_shelx_shelxl_version_number     2014/7
_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   0.886
_shelx_estimated_absorpt_t_max   0.922
_shelx_res_file
;

    tri.res created by SHELXL-2014/7

TITL tri in P4/nnc
CELL 0.71073  20.02825  20.02825  20.96620  90.0000  90.0000  90.0000
ZERR   4.00   0.00428   0.00428   0.00450   0.0000   0.0000   0.0000
LATT 1
SYMM 0.5-X, 0.5-Y, Z
SYMM 0.5-Y, X, Z
SYMM Y, 0.5-X, Z
SYMM 0.5-X, Y, 0.5-Z
SYMM X, 0.5-Y, 0.5-Z
SYMM Y, X, 0.5-Z
SYMM 0.5-Y, 0.5-X, 0.5-Z
SFAC C  H  N  O  Cl Nb
UNIT 208  160  48  32  32  16
OMIT -3 50
L.S. 8
ACTA
BOND $H
FMAP 2
PLAN 5
SIZE 0.10 0.12 0.15
CONF
TEMP 23.000
WGHT    0.085900
FVAR       0.37078
MOLE 1
C1    1    0.542801    0.069020    0.374200    11.00000    0.10816    0.12301 =
         0.02973   -0.02204   -0.01567   -0.02111
AFIX  43
H1    2    0.584985    0.073007    0.356056    11.00000   -1.20000
AFIX   0
C2    1    0.490626    0.049691    0.339824    11.00000    0.10267    0.12583 =
         0.05528   -0.01647   -0.02930   -0.03737
AFIX  43
H2    2    0.496789    0.040100    0.296824    11.00000   -1.20000
AFIX   0
C3    1    0.426966    0.043257    0.365853    11.00000    0.11613    0.10381 =
         0.07227   -0.00134   -0.03768   -0.05079
AFIX  43
H3    2    0.391962    0.031175    0.339090    11.00000   -1.20000
AFIX   0
C4    1    0.414014    0.053613    0.427229    11.00000    0.05212    0.09196 =
         0.07234    0.00959   -0.02518   -0.01685
AFIX  43
H4    2    0.371728    0.047741    0.444675    11.00000   -1.20000
AFIX   0
C5    1    0.469756    0.074339    0.464099    11.00000    0.06523    0.06081 =
         0.03571    0.00668   -0.00801   -0.01768
C6    1    0.531936    0.083303    0.439298    11.00000    0.05963    0.06643 =
         0.04327   -0.01340   -0.01324    0.00130
C7    1    0.556600    0.124467    0.600338    11.00000    0.05225    0.05838 =
         0.03595    0.00712   -0.00966   -0.00753
C8    1    0.510139    0.134830    0.646638    11.00000    0.07580    0.05267 =
         0.05845    0.00928    0.01203   -0.01632
AFIX  43
H8    2    0.465014    0.132110    0.636507    11.00000   -1.20000
AFIX   0
C9    1    0.529279    0.149532    0.709317    11.00000    0.08528    0.08716 =
         0.03917    0.00856    0.00646    0.00774
C10   1    0.594213    0.155514    0.721025    11.00000    0.10078    0.12782 =
         0.02325    0.01134    0.00914   -0.00047
AFIX  43
H10   2    0.607209    0.168941    0.761633    11.00000   -1.20000
AFIX   0
C11   1    0.642612    0.143274    0.677504    11.00000    0.06123    0.10262 =
         0.04424    0.00601   -0.00816   -0.01105
AFIX  43
H11   2    0.687431    0.145684    0.688872    11.00000   -1.20000
AFIX   0
C12   1    0.623762    0.126729    0.614336    11.00000    0.07798    0.07558 =
         0.01827    0.01125   -0.00042   -0.00419
C13   1    0.475497    0.162013    0.760390    11.00000    0.10583    0.16224 =
         0.04306   -0.01754    0.01981   -0.02630
AFIX 137
H13A  2    0.465279    0.120834    0.781693    11.00000   -1.50000
H13B  2    0.435891    0.179136    0.740452    11.00000   -1.50000
H13C  2    0.491781    0.193854    0.790876    11.00000   -1.50000
AFIX   0
CL1   5    0.703358    0.022351    0.448657    11.00000    0.10264    0.06778 =
         0.08306   -0.01157    0.01780   -0.00278
CL2   5    0.674415    0.174065    0.380090    11.00000    0.09721    0.08944 =
         0.03341   -0.00135   -0.00616   -0.00352
N1    3    0.472049    0.089320    0.527163    11.00000    0.05662    0.08634 =
         0.04759    0.00383   -0.00700   -0.00694
N2    3    0.534240    0.106560    0.536735    11.00000    0.06278    0.05979 =
         0.03635    0.00523   -0.00430   -0.01022
N3    3    0.574848    0.105237    0.485234    11.00000    0.06097    0.06898 =
         0.03934    0.00256    0.00096   -0.00161
NB1   6    0.690213    0.131718    0.483904    11.00000    0.06041    0.05876 =
         0.02957   -0.00076   -0.00375   -0.00244
O1    4    0.671961    0.113400    0.570798    11.00000    0.06784    0.07954 =
         0.02384    0.01609   -0.00736   -0.00554
O2    4    0.775091    0.152126    0.491610    11.00000    0.06441    0.06278 =
         0.02718    0.00553    0.00097    0.01312
HKLF 4

REM  tri in P4/nnc
REM R1 =  0.0619 for    1353 Fo > 4sig(Fo)  and  0.1040 for all    1985 data
REM    191 parameters refined using      0 restraints

END

WGHT      0.0860      0.0000

REM Highest difference peak  0.671,  deepest hole -0.932,  1-sigma level  0.099
Q1    1   0.6295  0.1254  0.4843  11.00000  0.05    0.67
Q2    1   0.7349  0.1927  0.4928  11.00000  0.05    0.53
Q3    1   0.7955  0.1619  0.5103  11.00000  0.05    0.51
Q4    1   0.8018  0.1983  0.5095  11.00000  0.05    0.50
Q5    1   0.7667  0.1377  0.4986  11.00000  0.05    0.46
;
_shelx_res_checksum              16260
_shelx_fab_file
;
    0    2    0   -210.63      0.00
    2    2    0    -74.18      0.00
    1    3    0     53.73      0.00
    3    3    0     57.91      0.00
    0    4    0    146.76      0.00
    2    4    0     32.74      0.00
    4    4    0      2.20      0.00
    1    5    0    -18.57      0.00
    3    5    0    -43.08      0.00
    5    5    0     10.15      0.00
    0    6    0    -49.14      0.00
    2    6    0    -54.60      0.00
    4    6    0     12.53      0.00
    6    6    0    -10.49      0.00
    1    7    0     10.49      0.00
    3    7    0     27.85      0.00
    5    7    0      8.27      0.00
    7    7    0     -6.28      0.00
    0    8    0     56.80      0.00
    2    8    0     16.93      0.00
    4    8    0     20.33      0.00
    6    8    0    -13.06      0.00
    8    8    0     20.56      0.00
    1    9    0    -13.72      0.00
    3    9    0    -12.04      0.00
    5    9    0    -16.84      0.00
    7    9    0      5.51      0.00
    9    9    0     -6.51      0.00
    0   10    0    -26.99      0.00
    2   10    0    -27.22      0.00
    4   10    0     -7.65      0.00
    6   10    0      0.27      0.00
    8   10    0      0.60      0.00
   10   10    0    -18.04      0.00
    1   11    0     11.15      0.00
    3   11    0      2.82      0.00
    5   11    0     13.21      0.00
    7   11    0      3.16      0.00
    9   11    0     -4.00      0.00
   11   11    0     15.46      0.00
    0   12    0     23.26      0.00
    2   12    0      9.16      0.00
    4   12    0     10.51      0.00
    6   12    0     -5.13      0.00
    8   12    0      2.01      0.00
   10   12    0      7.38      0.00
   12   12    0     -3.54      0.00
    1   13    0     11.50      0.00
    3   13    0    -11.40      0.00
    5   13    0      1.00      0.00
    7   13    0     -6.65      0.00
    9   13    0     -0.83      0.00
   11   13    0    -10.77      0.00
   13   13    0      7.44      0.00
    0   14    0     -1.00      0.00
    2   14    0     -8.85      0.00
    4   14    0      1.25      0.00
    6   14    0     -2.47      0.00
    8   14    0     -1.13      0.00
   10   14    0     -1.69      0.00
   12   14    0      1.91      0.00
    1   15    0      3.71      0.00
    3   15    0     -2.29      0.00
    5   15    0      1.08      0.00
    7   15    0     -0.72      0.00
    9   15    0      9.07      0.00
   11   15    0      1.78      0.00
    0   16    0     -0.97      0.00
    2   16    0      1.12      0.00
    4   16    0     -0.41      0.00
    6   16    0      4.21      0.00
    8   16    0      0.70      0.00
   10   16    0      3.61      0.00
    1   17    0      5.15      0.00
    3   17    0     -3.62      0.00
    5   17    0      6.43      0.00
    7   17    0     -4.25      0.00
    9   17    0     -1.48      0.00
    0   18    0     -2.20      0.00
    2   18    0      3.43      0.00
    4   18    0     -3.72      0.00
    6   18    0     -6.54      0.00
    1   19    0      3.24      0.00
    3   19    0     -5.86      0.00
    0    1    1    -93.51      0.00
    1    2    1    -71.56      0.00
    0    3    1     69.08      0.00
    1    3    1    -16.20      0.00
    2    3    1     45.50      0.00
    1    4    1    -56.21      0.00
    2    4    1      9.34      0.00
    3    4    1     44.63      0.00
    0    5    1    -61.56      0.00
    1    5    1     15.17      0.00
    2    5    1    -14.09      0.00
    3    5    1      6.18      0.00
    4    5    1    -35.09      0.00
    1    6    1     -4.87      0.00
    2    6    1     -5.64      0.00
    3    6    1     14.13      0.00
    4    6    1     -7.52      0.00
    5    6    1     -1.47      0.00
    0    7    1     18.34      0.00
    1    7    1    -13.68      0.00
    2    7    1     31.97      0.00
    3    7    1     -2.54      0.00
    4    7    1     10.61      0.00
    5    7    1     -0.94      0.00
    6    7    1     13.14      0.00
    1    8    1     -7.12      0.00
    2    8    1     11.01      0.00
    3    8    1     -1.37      0.00
    4    8    1      1.14      0.00
    5    8    1    -11.54      0.00
    6    8    1      3.34      0.00
    7    8    1     -1.45      0.00
    0    9    1    -16.03      0.00
    1    9    1     11.84      0.00
    2    9    1    -25.40      0.00
    3    9    1      0.38      0.00
    4    9    1    -10.34      0.00
    5    9    1      2.57      0.00
    6    9    1     -8.88      0.00
    7    9    1     -1.01      0.00
    8    9    1     -6.92      0.00
    1   10    1    -21.16      0.00
    2   10    1     -7.27      0.00
    3   10    1     19.60      0.00
    4   10    1     -4.57      0.00
    5   10    1     -5.11      0.00
    6   10    1     -3.52      0.00
    7   10    1     11.76      0.00
    8   10    1      3.31      0.00
    9   10    1     -0.88      0.00
    0   11    1      2.40      0.00
    1   11    1     -9.15      0.00
    2   11    1     25.26      0.00
    3   11    1     -3.52      0.00
    4   11    1      5.89      0.00
    5   11    1     -1.04      0.00
    6   11    1      2.35      0.00
    7   11    1     -0.53      0.00
    8   11    1      4.27      0.00
    9   11    1     -1.05      0.00
   10   11    1      4.01      0.00
    1   12    1      7.54      0.00
    2   12    1      4.84      0.00
    3   12    1     -2.23      0.00
    4   12    1      5.53      0.00
    5   12    1     -7.80      0.00
    6   12    1      2.15      0.00
    7   12    1      3.35      0.00
    8   12    1      1.80      0.00
    9   12    1     -9.29      0.00
   10   12    1     -2.49      0.00
   11   12    1      4.45      0.00
    0   13    1      4.09      0.00
    1   13    1      7.10      0.00
    2   13    1    -14.27      0.00
    3   13    1      2.93      0.00
    4   13    1     -6.29      0.00
    5   13    1      3.18      0.00
    6   13    1      6.79      0.00
    7   13    1      0.91      0.00
    8   13    1     -4.93      0.00
    9   13    1     -0.35      0.00
   10   13    1     -2.14      0.00
   11   13    1      0.78      0.00
   12   13    1     -5.60      0.00
    1   14    1     -4.14      0.00
    2   14    1     -2.63      0.00
    3   14    1     -0.15      0.00
    4   14    1     -3.00      0.00
    5   14    1      5.10      0.00
    6   14    1     -3.70      0.00
    7   14    1     -0.96      0.00
    8   14    1     -4.71      0.00
    9   14    1      0.98      0.00
   10   14    1      3.09      0.00
   11   14    1      4.25      0.00
   12   14    1      0.66      0.00
   13   14    1      4.50      0.00
    0   15    1      2.17      0.00
    1   15    1     -1.69      0.00
    2   15    1     -0.38      0.00
    3   15    1     -6.00      0.00
    4   15    1      6.81      0.00
    5   15    1      0.12      0.00
    6   15    1     -7.05      0.00
    7   15    1     -3.05      0.00
    8   15    1      2.99      0.00
    9   15    1      3.78      0.00
   10   15    1      5.69      0.00
   11   15    1     -3.47      0.00
   12   15    1      1.57      0.00
    1   16    1     10.17      0.00
    2   16    1     -4.37      0.00
    3   16    1     -6.24      0.00
    4   16    1      8.90      0.00
    5   16    1      0.28      0.00
    6   16    1     -1.99      0.00
    7   16    1     -0.38      0.00
    8   16    1      5.63      0.00
    9   16    1      6.38      0.00
   10   16    1     -2.06      0.00
    0   17    1     12.86      0.00
    1   17    1     -1.06      0.00
    2   17    1     -9.28      0.00
    3   17    1      6.10      0.00
    4   17    1      1.66      0.00
    5   17    1     -6.66      0.00
    6   17    1     -0.17      0.00
    7   17    1      5.93      0.00
    8   17    1     -1.84      0.00
    9   17    1     -1.84      0.00
    1   18    1     -5.80      0.00
    2   18    1     -1.31      0.00
    3   18    1      0.71      0.00
    4   18    1     -3.62      0.00
    5   18    1      0.70      0.00
    6   18    1      4.40      0.00
    0   19    1     -1.40      0.00
    1   19    1     -1.60      0.00
    2   19    1     -1.75      0.00
    3   19    1      3.29      0.00
    0    0    2   -127.75      0.00
    1    1    2    -11.02      0.00
    0    2    2     -2.27      0.00
    1    2    2    -12.97      0.00
    2    2    2     92.98      0.00
    1    3    2     15.43      0.00
    2    3    2     15.33      0.00
    3    3    2    -21.62      0.00
    0    4    2    -60.39      0.00
    1    4    2     26.54      0.00
    2    4    2    -10.71      0.00
    3    4    2     -0.60      0.00
    4    4    2    -22.78      0.00
    1    5    2     14.30      0.00
    2    5    2    -12.40      0.00
    3    5    2      4.27      0.00
    4    5    2     -4.80      0.00
    5    5    2     13.66      0.00
    0    6    2     36.19      0.00
    1    6    2    -18.28      0.00
    2    6    2     15.45      0.00
    3    6    2     -5.79      0.00
    4    6    2     10.34      0.00
    5    6    2      0.63      0.00
    6    6    2     -0.70      0.00
    1    7    2    -13.84      0.00
    2    7    2     10.70      0.00
    3    7    2     -4.73      0.00
    4    7    2      1.35      0.00
    5    7    2     -9.54      0.00
    6    7    2      3.85      0.00
    7    7    2     -1.35      0.00
    0    8    2    -43.42      0.00
    1    8    2     15.66      0.00
    2    8    2     -0.61      0.00
    3    8    2     -2.39      0.00
    4    8    2    -18.03      0.00
    5    8    2      6.23      0.00
    6    8    2     -0.72      0.00
    7    8    2      2.93      0.00
    8    8    2     -6.20      0.00
    1    9    2     11.55      0.00
    2    9    2     -9.21      0.00
    3    9    2      1.60      0.00
    4    9    2     -3.37      0.00
    5    9    2     -0.43      0.00
    6    9    2     -0.44      0.00
    7    9    2      6.02      0.00
    8    9    2     -1.45      0.00
    9    9    2      1.60      0.00
    0   10    2      7.99      0.00
    1   10    2    -10.15      0.00
    2   10    2     22.20      0.00
    3   10    2     -6.51      0.00
    4   10    2     -0.63      0.00
    5   10    2     -2.94      0.00
    6   10    2     13.69      0.00
    7   10    2     -2.16      0.00
    8   10    2     -2.19      0.00
    9   10    2     -3.37      0.00
   10   10    2      7.88      0.00
    1   11    2      5.76      0.00
    2   11    2      3.30      0.00
    3   11    2     -4.85      0.00
    4   11    2      7.73      0.00
    5   11    2      3.80      0.00
    6   11    2      5.46      0.00
    7   11    2     -4.94      0.00
    8   11    2     -1.61      0.00
    9   11    2     -0.07      0.00
   10   11    2     -2.18      0.00
   11   11    2     -4.47      0.00
    0   12    2     -8.03      0.00
    1   12    2      7.64      0.00
    2   12    2     -8.33      0.00
    3   12    2     11.31      0.00
    4   12    2     -5.93      0.00
    5   12    2      3.94      0.00
    6   12    2     -0.72      0.00
    7   12    2     -2.30      0.00
    8   12    2     -3.11      0.00
    9   12    2      2.67      0.00
   10   12    2     -0.85      0.00
   11   12    2      3.23      0.00
   12   12    2      0.42      0.00
    1   13    2     -4.99      0.00
    2   13    2     -1.13      0.00
    3   13    2      1.26      0.00
    4   13    2     -8.33      0.00
    5   13    2     -0.06      0.00
    6   13    2     -8.67      0.00
    7   13    2      2.61      0.00
    8   13    2      3.23      0.00
    9   13    2      0.48      0.00
   10   13    2      1.16      0.00
   11   13    2      4.70      0.00
   12   13    2      0.34      0.00
   13   13    2     -5.86      0.00
    0   14    2      5.51      0.00
    1   14    2     -7.08      0.00
    2   14    2      0.97      0.00
    3   14    2     -7.34      0.00
    4   14    2      4.17      0.00
    5   14    2     -2.66      0.00
    6   14    2     -0.38      0.00
    7   14    2      1.13      0.00
    8   14    2     -0.66      0.00
    9   14    2     -2.39      0.00
   10   14    2     -0.74      0.00
   11   14    2     -3.41      0.00
   12   14    2      0.46      0.00
   13   14    2     -1.31      0.00
    1   15    2     -5.04      0.00
    2   15    2      0.93      0.00
    3   15    2      2.36      0.00
    4   15    2      6.05      0.00
    5   15    2     -5.11      0.00
    6   15    2      6.39      0.00
    7   15    2      1.62      0.00
    8   15    2     -0.49      0.00
    9   15    2     -4.36      0.00
   10   15    2     -0.71      0.00
   11   15    2      2.28      0.00
    0   16    2     -5.47      0.00
    1   16    2      1.10      0.00
    2   16    2      2.38      0.00
    3   16    2      6.37      0.00
    4   16    2     -4.99      0.00
    5   16    2      0.62      0.00
    6   16    2      2.48      0.00
    7   16    2     -3.43      0.00
    8   16    2      1.26      0.00
    9   16    2      5.35      0.00
   10   16    2     -1.98      0.00
    1   17    2      2.24      0.00
    2   17    2      3.58      0.00
    3   17    2      1.92      0.00
    4   17    2     -6.55      0.00
    5   17    2      1.77      0.00
    6   17    2     -2.21      0.00
    7   17    2      1.91      0.00
    8   17    2      0.45      0.00
    0   18    2      0.66      0.00
    1   18    2      2.85      0.00
    2   18    2      0.10      0.00
    3   18    2     -3.30      0.00
    4   18    2      1.87      0.00
    5   18    2      0.74      0.00
    6   18    2      3.24      0.00
    1   19    2      1.87      0.00
    2   19    2     -3.21      0.00
    0    1    3     21.89      0.00
    1    2    3     31.68      0.00
    0    3    3     -5.21      0.00
    1    3    3     20.41      0.00
    2    3    3    -26.94      0.00
    1    4    3      0.53      0.00
    2    4    3     -8.93      0.00
    3    4    3      5.96      0.00
    0    5    3     13.13      0.00
    1    5    3    -15.19      0.00
    2    5    3     12.23      0.00
    3    5    3    -11.31      0.00
    4    5    3      2.85      0.00
    1    6    3     -0.47      0.00
    2    6    3     -2.78      0.00
    3    6    3     -9.88      0.00
    4    6    3     15.06      0.00
    5    6    3     -5.66      0.00
    0    7    3     -5.47      0.00
    1    7    3      9.07      0.00
    2    7    3    -18.13      0.00
    3    7    3     11.43      0.00
    4    7    3     -3.06      0.00
    5    7    3      2.34      0.00
    6    7    3      3.99      0.00
    1    8    3     -0.47      0.00
    2    8    3     -4.50      0.00
    3    8    3      5.68      0.00
    4    8    3     -3.82      0.00
    5    8    3      5.02      0.00
    6    8    3     -7.74      0.00
    7    8    3     -6.20      0.00
    0    9    3      5.60      0.00
    1    9    3     -8.09      0.00
    2    9    3     15.72      0.00
    3    9    3     -8.34      0.00
    4    9    3      2.19      0.00
    5    9    3     -5.59      0.00
    6    9    3      3.78      0.00
    7    9    3     -0.73      0.00
    8    9    3      3.98      0.00
    1   10    3      7.44      0.00
    2   10    3      1.78      0.00
    3   10    3     -5.84      0.00
    4   10    3      7.34      0.00
    5   10    3      5.49      0.00
    6   10    3      6.54      0.00
    7   10    3     -1.64      0.00
    8   10    3     -1.18      0.00
    9   10    3      2.56      0.00
    0   11    3    -11.73      0.00
    1   11    3      9.02      0.00
    2   11    3     -2.88      0.00
    3   11    3      7.52      0.00
    4   11    3     -4.73      0.00
    5   11    3      6.75      0.00
    6   11    3     -3.09      0.00
    7   11    3      1.36      0.00
    8   11    3     -0.70      0.00
    9   11    3     -1.87      0.00
   10   11    3     -5.54      0.00
    1   12    3      7.24      0.00
    2   12    3     -3.25      0.00
    3   12    3     -4.34      0.00
    4   12    3     -5.58      0.00
    5   12    3     -5.57      0.00
    6   12    3     -7.58      0.00
    7   12    3      3.53      0.00
    8   12    3     -0.40      0.00
    9   12    3     -1.41      0.00
   10   12    3      4.30      0.00
   11   12    3      7.58      0.00
    0   13    3      5.99      0.00
    1   13    3     -9.71      0.00
    2   13    3      0.68      0.00
    3   13    3     -5.29      0.00
    4   13    3     -1.22      0.00
    5   13    3     -6.19      0.00
    6   13    3      6.49      0.00
    7   13    3      3.94      0.00
    8   13    3     -2.64      0.00
    9   13    3     -6.60      0.00
   10   13    3      3.33      0.00
   11   13    3      0.68      0.00
   12   13    3    -11.69      0.00
    1   14    3     -2.02      0.00
    2   14    3      4.80      0.00
    3   14    3     -3.00      0.00
    4   14    3      4.89      0.00
    5   14    3      6.86      0.00
    6   14    3      6.27      0.00
    7   14    3     -4.96      0.00
    8   14    3     -2.91      0.00
    9   14    3     -2.81      0.00
   10   14    3      3.79      0.00
   11   14    3     -3.11      0.00
   12   14    3     -3.72      0.00
    0   15    3     -5.05      0.00
    1   15    3      7.26      0.00
    2   15    3      0.23      0.00
    3   15    3      2.69      0.00
    4   15    3      1.34      0.00
    5   15    3      2.46      0.00
    6   15    3     -0.85      0.00
    7   15    3     -5.58      0.00
    8   15    3     -6.21      0.00
    9   15    3      8.79      0.00
   10   15    3      7.79      0.00
   11   15    3     -0.09      0.00
    1   16    3      6.44      0.00
    2   16    3     -3.42      0.00
    3   16    3      5.32      0.00
    4   16    3     -4.58      0.00
    5   16    3     -1.23      0.00
    6   16    3     -5.53      0.00
    7   16    3     -1.49      0.00
    8   16    3      3.48      0.00
    9   16    3      6.38      0.00
   10   16    3     -2.65      0.00
    0   17    3      9.47      0.00
    1   17    3     -3.14      0.00
    2   17    3     -1.69      0.00
    3   17    3     -1.00      0.00
    4   17    3     -2.91      0.00
    5   17    3      3.45      0.00
    6   17    3      2.38      0.00
    7   17    3     -0.33      0.00
    8   17    3      4.03      0.00
    1   18    3     -4.79      0.00
    2   18    3      4.19      0.00
    3   18    3     -6.78      0.00
    4   18    3      2.11      0.00
    5   18    3      3.75      0.00
    6   18    3      0.67      0.00
    0   19    3     -4.38      0.00
    1   19    3      0.45      0.00
    0    0    4    -46.77      0.00
    1    1    4     51.00      0.00
    0    2    4     30.47      0.00
    1    2    4      7.92      0.00
    2    2    4     -8.82      0.00
    1    3    4    -10.39      0.00
    2    3    4     -5.47      0.00
    3    3    4    -14.88      0.00
    0    4    4     -6.94      0.00
    1    4    4    -12.67      0.00
    2    4    4     -6.87      0.00
    3    4    4     -3.06      0.00
    4    4    4      8.13      0.00
    1    5    4      7.81      0.00
    2    5    4      1.20      0.00
    3    5    4      1.87      0.00
    4    5    4      5.92      0.00
    5    5    4      3.64      0.00
    0    6    4      2.36      0.00
    1    6    4      7.74      0.00
    2    6    4     -0.02      0.00
    3    6    4     10.86      0.00
    4    6    4     -2.51      0.00
    5    6    4     -2.97      0.00
    6    6    4     -5.47      0.00
    1    7    4      4.59      0.00
    2    7    4     -1.86      0.00
    3    7    4     -8.41      0.00
    4    7    4     -5.74      0.00
    5    7    4      2.34      0.00
    6    7    4     -4.88      0.00
    7    7    4     -2.27      0.00
    0    8    4     13.34      0.00
    1    8    4     -7.64      0.00
    2    8    4     -9.50      0.00
    3    8    4     -4.12      0.00
    4    8    4     12.68      0.00
    5    8    4     -4.84      0.00
    6    8    4      1.92      0.00
    7    8    4     -0.26      0.00
    8    8    4      2.49      0.00
    1    9    4      1.33      0.00
    2    9    4      0.38      0.00
    3    9    4      4.16      0.00
    4    9    4      7.51      0.00
    5    9    4      5.60      0.00
    6    9    4      3.23      0.00
    7    9    4     -1.90      0.00
    8    9    4     -1.75      0.00
    9    9    4      0.90      0.00
    0   10    4      8.17      0.00
    1   10    4      4.97      0.00
    2   10    4     -8.11      0.00
    3   10    4      7.29      0.00
    4   10    4     -0.53      0.00
    5   10    4      2.82      0.00
    6   10    4     -4.42      0.00
    7   10    4     -0.06      0.00
    8   10    4     -1.82      0.00
    9   10    4      2.17      0.00
   10   10    4      4.37      0.00
    1   11    4     -3.89      0.00
    2   11    4     -3.89      0.00
    3   11    4     -3.34      0.00
    4   11    4     -1.65      0.00
    5   11    4     -1.98      0.00
    6   11    4     -1.62      0.00
    7   11    4     -3.43      0.00
    8   11    4     -2.69      0.00
    9   11    4      4.20      0.00
   10   11    4      3.39      0.00
   11   11    4     -9.58      0.00
    0   12    4      0.59      0.00
    1   12    4     -7.29      0.00
    2   12    4     -0.34      0.00
    3   12    4      0.37      0.00
    4   12    4      2.03      0.00
    5   12    4     -5.06      0.00
    6   12    4     -0.28      0.00
    7   12    4     -3.66      0.00
    8   12    4      2.39      0.00
    9   12    4     -0.72      0.00
   10   12    4    -10.13      0.00
   11   12    4      1.39      0.00
   12   12    4     12.33      0.00
    1   13    4      1.08      0.00
    2   13    4      6.81      0.00
    3   13    4      0.82      0.00
    4   13    4     -5.64      0.00
    5   13    4      0.25      0.00
    6   13    4      5.01      0.00
    7   13    4     -0.85      0.00
    8   13    4     -0.29      0.00
    9   13    4     -4.11      0.00
   10   13    4      6.87      0.00
   11   13    4      9.10      0.00
   12   13    4     -4.92      0.00
   13   13    4     -7.12      0.00
    0   14    4     -0.91      0.00
    1   14    4      5.74      0.00
    2   14    4      1.99      0.00
    3   14    4     -4.09      0.00
    4   14    4     -4.79      0.00
    5   14    4      5.93      0.00
    6   14    4      0.78      0.00
    7   14    4      1.49      0.00
    8   14    4      2.54      0.00
    9   14    4      5.59      0.00
   10   14    4      5.60      0.00
   11   14    4     -7.50      0.00
   12   14    4     -6.51      0.00
    1   15    4     -0.41      0.00
    2   15    4     -2.03      0.00
    3   15    4      2.20      0.00
    4   15    4      3.61      0.00
    5   15    4      4.73      0.00
    6   15    4     -7.38      0.00
    7   15    4      2.80      0.00
    8   15    4     -0.03      0.00
    9   15    4     -0.04      0.00
   10   15    4     -6.71      0.00
   11   15    4     -2.18      0.00
    0   16    4     -0.87      0.00
    1   16    4     -0.35      0.00
    2   16    4      3.09      0.00
    3   16    4      0.52      0.00
    4   16    4      0.54      0.00
    5   16    4     -4.31      0.00
    6   16    4      2.24      0.00
    7   16    4      2.80      0.00
    8   16    4     -4.14      0.00
    9   16    4     -1.26      0.00
   10   16    4      1.40      0.00
    1   17    4      0.81      0.00
    2   17    4     -0.05      0.00
    3   17    4     -9.13      0.00
    4   17    4      2.36      0.00
    5   17    4      1.09      0.00
    6   17    4      1.80      0.00
    7   17    4     -4.43      0.00
    8   17    4      6.60      0.00
    0   18    4      0.15      0.00
    1   18    4      0.01      0.00
    2   18    4     -2.71      0.00
    3   18    4     -2.17      0.00
    4   18    4      1.87      0.00
    5   18    4      1.62      0.00
    0    1    5    -33.10      0.00
    1    2    5     24.00      0.00
    0    3    5     15.32      0.00
    1    3    5     -5.59      0.00
    2    3    5    -13.04      0.00
    1    4    5     -7.35      0.00
    2    4    5     -3.43      0.00
    3    4    5     -1.97      0.00
    0    5    5     -5.99      0.00
    1    5    5      3.60      0.00
    2    5    5      2.17      0.00
    3    5    5      3.73      0.00
    4    5    5      5.86      0.00
    1    6    5      9.00      0.00
    2    6    5      2.51      0.00
    3    6    5     -0.64      0.00
    4    6    5      1.03      0.00
    5    6    5     -2.59      0.00
    0    7    5     11.52      0.00
    1    7    5     -3.40      0.00
    2    7    5     -7.13      0.00
    3    7    5      1.36      0.00
    4    7    5      5.05      0.00
    5    7    5     -7.63      0.00
    6    7    5     -0.61      0.00
    1    8    5     -6.28      0.00
    2    8    5      1.78      0.00
    3    8    5      3.28      0.00
    4    8    5     -3.50      0.00
    5    8    5      4.09      0.00
    6    8    5      0.39      0.00
    7    8    5      1.78      0.00
    0    9    5      7.41      0.00
    1    9    5      0.26      0.00
    2    9    5     -8.18      0.00
    3    9    5      3.57      0.00
    4    9    5      7.04      0.00
    5    9    5      1.91      0.00
    6    9    5     -8.03      0.00
    7    9    5      1.37      0.00
    8    9    5     -2.18      0.00
    1   10    5     -6.51      0.00
    2   10    5      3.03      0.00
    3   10    5      1.90      0.00
    4   10    5      0.04      0.00
    5   10    5     -4.77      0.00
    6   10    5     -2.83      0.00
    7   10    5     -5.07      0.00
    8   10    5      5.17      0.00
    9   10    5      5.38      0.00
    0   11    5      4.98      0.00
    1   11    5      1.48      0.00
    2   11    5     -6.45      0.00
    3   11    5     -2.67      0.00
    4   11    5      5.90      0.00
    5   11    5     -3.38      0.00
    6   11    5     -5.68      0.00
    7   11    5     -0.09      0.00
    8   11    5      4.58      0.00
    9   11    5      3.79      0.00
   10   11    5     -1.47      0.00
    1   12    5     -6.43      0.00
    2   12    5     -6.25      0.00
    3   12    5      3.17      0.00
    4   12    5      0.34      0.00
    5   12    5      1.83      0.00
    6   12    5      0.68      0.00
    7   12    5     -0.93      0.00
    8   12    5      3.35      0.00
    9   12    5     -0.17      0.00
   10   12    5     -4.58      0.00
   11   12    5     -5.53      0.00
    0   13    5     -0.23      0.00
    1   13    5     -2.56      0.00
    2   13    5     -0.07      0.00
    3   13    5      0.56      0.00
    4   13    5      2.57      0.00
    5   13    5      2.04      0.00
    6   13    5     -3.64      0.00
    7   13    5      2.28      0.00
    8   13    5      3.68      0.00
    9   13    5     -3.24      0.00
   10   13    5      2.89      0.00
   11   13    5     -1.32      0.00
   12   13    5      4.80      0.00
    1   14    5     -1.27      0.00
    2   14    5      4.38      0.00
    3   14    5      4.07      0.00
    4   14    5     -0.19      0.00
    5   14    5     -0.25      0.00
    6   14    5      3.99      0.00
    7   14    5      5.82      0.00
    8   14    5    -12.27      0.00
    9   14    5      1.92      0.00
   10   14    5      2.10      0.00
   11   14    5      0.39      0.00
   12   14    5      2.17      0.00
    0   15    5     -3.69      0.00
    1   15    5      4.21      0.00
    2   15    5      3.89      0.00
    3   15    5     -2.36      0.00
    4   15    5      1.76      0.00
    5   15    5      2.86      0.00
    6   15    5      0.50      0.00
    7   15    5     -5.63      0.00
    8   15    5     -1.63      0.00
    9   15    5      4.90      0.00
   10   15    5     -5.18      0.00
   11   15    5      2.01      0.00
    1   16    5      1.66      0.00
    2   16    5     -6.04      0.00
    3   16    5     -8.00      0.00
    4   16    5      5.31      0.00
    5   16    5     -1.22      0.00
    6   16    5     -1.66      0.00
    7   16    5     -6.18      0.00
    8   16    5      8.67      0.00
    9   16    5     -0.10      0.00
    0   17    5      2.05      0.00
    1   17    5     -5.17      0.00
    2   17    5     -6.37      0.00
    3   17    5      6.93      0.00
    4   17    5      2.38      0.00
    5   17    5     -8.31      0.00
    6   17    5     -4.67      0.00
    7   17    5      4.76      0.00
    1   18    5     -0.56      0.00
    2   18    5      3.18      0.00
    3   18    5      6.14      0.00
    4   18    5     -7.00      0.00
    5   18    5      1.65      0.00
    0    0    6      1.79      0.00
    1    1    6      1.04      0.00
    0    2    6      3.02      0.00
    1    2    6     -2.67      0.00
    2    2    6    -13.70      0.00
    1    3    6     -1.05      0.00
    2    3    6     -3.37      0.00
    3    3    6      5.78      0.00
    0    4    6      8.45      0.00
    1    4    6     -0.29      0.00
    2    4    6      2.72      0.00
    3    4    6      4.45      0.00
    4    4    6      2.36      0.00
    1    5    6     -9.04      0.00
    2    5    6      6.43      0.00
    3    5    6      3.89      0.00
    4    5    6      1.08      0.00
    5    5    6     -3.82      0.00
    0    6    6    -12.08      0.00
    1    6    6      1.55      0.00
    2    6    6      4.45      0.00
    3    6    6     -3.82      0.00
    4    6    6     -1.01      0.00
    5    6    6     -2.56      0.00
    6    6    6     -0.48      0.00
    1    7    6      2.50      0.00
    2    7    6     -5.12      0.00
    3    7    6      3.68      0.00
    4    7    6     -3.36      0.00
    5    7    6     -3.46      0.00
    6    7    6      1.19      0.00
    7    7    6      6.20      0.00
    0    8    6     -1.27      0.00
    1    8    6     -1.48      0.00
    2    8    6      4.70      0.00
    3    8    6      2.34      0.00
    4    8    6     -3.69      0.00
    5    8    6      1.23      0.00
    6    8    6     -1.59      0.00
    7    8    6      2.77      0.00
    8    8    6      1.12      0.00
    1    9    6      0.88      0.00
    2    9    6      4.25      0.00
    3    9    6     -0.54      0.00
    4    9    6      0.05      0.00
    5    9    6     -8.92      0.00
    6    9    6      0.89      0.00
    7    9    6      3.41      0.00
    8    9    6      4.84      0.00
    9    9    6     -4.01      0.00
    0   10    6      1.62      0.00
    1   10    6      0.63      0.00
    2   10    6     -4.55      0.00
    3   10    6      1.54      0.00
    4   10    6     -0.96      0.00
    5   10    6     -2.91      0.00
    6   10    6      3.00      0.00
    7   10    6      5.41      0.00
    8   10    6     -0.57      0.00
    9   10    6     -1.34      0.00
   10   10    6     -0.98      0.00
    1   11    6     -6.39      0.00
    2   11    6     -0.21      0.00
    3   11    6      6.44      0.00
    4   11    6     -3.59      0.00
    5   11    6      0.82      0.00
    6   11    6      0.31      0.00
    7   11    6      2.52      0.00
    8   11    6     -0.56      0.00
    9   11    6      1.07      0.00
   10   11    6     -5.76      0.00
   11   11    6     -6.85      0.00
    0   12    6     -0.39      0.00
    1   12    6     -2.06      0.00
    2   12    6      4.90      0.00
    3   12    6     -1.48      0.00
    4   12    6      0.68      0.00
    5   12    6     -1.42      0.00
    6   12    6     -1.84      0.00
    7   12    6     -2.28      0.00
    8   12    6      3.02      0.00
    9   12    6     -4.00      0.00
   10   12    6     -1.19      0.00
   11   12    6      1.98      0.00
   12   12    6      6.93      0.00
    1   13    6     -3.05      0.00
    2   13    6      1.31      0.00
    3   13    6     -0.22      0.00
    4   13    6      3.59      0.00
    5   13    6     -2.27      0.00
    6   13    6     -3.01      0.00
    7   13    6      2.77      0.00
    8   13    6      0.71      0.00
    9   13    6      1.20      0.00
   10   13    6      2.96      0.00
   11   13    6      3.97      0.00
   12   13    6     -2.35      0.00
   13   13    6      0.18      0.00
    0   14    6     -9.78      0.00
    1   14    6      2.87      0.00
    2   14    6      0.04      0.00
    3   14    6      1.15      0.00
    4   14    6      5.27      0.00
    5   14    6      2.77      0.00
    6   14    6     -1.82      0.00
    7   14    6      0.13      0.00
    8   14    6     -0.20      0.00
    9   14    6      5.00      0.00
   10   14    6     -2.39      0.00
   11   14    6     -5.57      0.00
    1   15    6      5.39      0.00
    2   15    6     -4.58      0.00
    3   15    6      2.82      0.00
    4   15    6      1.67      0.00
    5   15    6     -7.56      0.00
    6   15    6      2.12      0.00
    7   15    6      1.57      0.00
    8   15    6      4.14      0.00
    9   15    6     -4.51      0.00
   10   15    6     -3.21      0.00
    0   16    6      4.21      0.00
    1   16    6     -4.89      0.00
    2   16    6      0.55      0.00
    3   16    6      4.38      0.00
    4   16    6     -5.31      0.00
    5   16    6     -3.83      0.00
    6   16    6      0.45      0.00
    7   16    6     -1.38      0.00
    8   16    6     -1.70      0.00
    9   16    6     -4.04      0.00
    1   17    6     -4.20      0.00
    2   17    6      7.57      0.00
    3   17    6      3.05      0.00
    4   17    6    -10.19      0.00
    5   17    6      1.89      0.00
    6   17    6      2.31      0.00
    7   17    6      0.41      0.00
    0   18    6     -7.31      0.00
    1   18    6      4.92      0.00
    2   18    6      3.14      0.00
    3   18    6     -6.22      0.00
    4   18    6      2.47      0.00
    0    1    7    -14.18      0.00
    1    2    7     11.17      0.00
    0    3    7     16.33      0.00
    1    3    7     -0.06      0.00
    2    3    7     -8.43      0.00
    1    4    7     -3.47      0.00
    2    4    7      4.17      0.00
    3    4    7      2.97      0.00
    0    5    7      5.35      0.00
    1    5    7     -1.72      0.00
    2    5    7     -7.02      0.00
    3    5    7      3.70      0.00
    4    5    7      6.03      0.00
    1    6    7    -10.28      0.00
    2    6    7     -0.35      0.00
    3    6    7      4.95      0.00
    4    6    7     -6.90      0.00
    5    6    7     -5.72      0.00
    0    7    7     -6.57      0.00
    1    7    7      0.98      0.00
    2    7    7      4.72      0.00
    3    7    7     -4.07      0.00
    4    7    7     -2.54      0.00
    5    7    7      2.97      0.00
    6    7    7     -2.51      0.00
    1    8    7      2.54      0.00
    2    8    7      0.33      0.00
    3    8    7      2.41      0.00
    4    8    7      4.52      0.00
    5    8    7     -5.38      0.00
    6    8    7      4.34      0.00
    7    8    7      8.59      0.00
    0    9    7     -3.30      0.00
    1    9    7      0.69      0.00
    2    9    7      4.16      0.00
    3    9    7      2.41      0.00
    4    9    7     -7.10      0.00
    5    9    7      0.25      0.00
    6    9    7      8.36      0.00
    7    9    7      0.52      0.00
    8    9    7    -10.98      0.00
    1   10    7      1.70      0.00
    2   10    7      0.01      0.00
    3   10    7     -2.83      0.00
    4   10    7     -5.69      0.00
    5   10    7      2.66      0.00
    6   10    7     -0.40      0.00
    7   10    7     -0.91      0.00
    8   10    7     -5.29      0.00
    9   10    7      5.86      0.00
    0   11    7     -0.40      0.00
    1   11    7     -1.12      0.00
    2   11    7      2.57      0.00
    3   11    7     -4.14      0.00
    4   11    7     -1.71      0.00
    5   11    7     -1.17      0.00
    6   11    7      5.70      0.00
    7   11    7     -0.75      0.00
    8   11    7      3.79      0.00
    9   11    7     -0.54      0.00
   10   11    7     -3.37      0.00
    1   12    7      7.91      0.00
    2   12    7      4.58      0.00
    3   12    7     -3.56      0.00
    4   12    7      0.96      0.00
    5   12    7      0.58      0.00
    6   12    7      2.22      0.00
    7   12    7      1.34      0.00
    8   12    7      4.22      0.00
    9   12    7     -5.14      0.00
   10   12    7     -4.40      0.00
   11   12    7      8.16      0.00
    0   13    7      7.13      0.00
    1   13    7      4.73      0.00
    2   13    7     -7.52      0.00
    3   13    7     -1.81      0.00
    4   13    7      1.42      0.00
    5   13    7      3.82      0.00
    6   13    7      0.67      0.00
    7   13    7      4.34      0.00
    8   13    7     -6.86      0.00
    9   13    7     -9.55      0.00
   10   13    7     -1.18      0.00
   11   13    7      5.76      0.00
   12   13    7     -7.21      0.00
    1   14    7     -1.47      0.00
    2   14    7     -8.34      0.00
    3   14    7      2.75      0.00
    4   14    7      4.15      0.00
    5   14    7     -1.44      0.00
    6   14    7     -3.93      0.00
    7   14    7     -4.83      0.00
    8   14    7     -0.29      0.00
    9   14    7      0.88      0.00
   10   14    7      6.90      0.00
   11   14    7     -3.82      0.00
    0   15    7      5.39      0.00
    1   15    7     -3.12      0.00
    2   15    7     -0.72      0.00
    3   15    7      1.14      0.00
    4   15    7     -3.78      0.00
    5   15    7     -1.57      0.00
    6   15    7     -0.33      0.00
    7   15    7     -0.73      0.00
    8   15    7      3.88      0.00
    9   15    7      3.65      0.00
   10   15    7      3.13      0.00
    1   16    7     -0.02      0.00
    2   16    7     -0.70      0.00
    3   16    7     -0.90      0.00
    4   16    7      4.03      0.00
    5   16    7      1.33      0.00
    6   16    7     -3.83      0.00
    7   16    7      5.11      0.00
    8   16    7     -2.46      0.00
    0   17    7     -3.79      0.00
    1   17    7     -0.55      0.00
    2   17    7      1.96      0.00
    3   17    7      2.42      0.00
    4   17    7      1.01      0.00
    5   17    7     -1.52      0.00
    6   17    7      3.01      0.00
    1   18    7      4.02      0.00
    0    0    8     10.45      0.00
    1    1    8     -8.90      0.00
    0    2    8     -3.11      0.00
    1    2    8      0.60      0.00
    2    2    8      0.82      0.00
    1    3    8     -2.62      0.00
    2    3    8      3.38      0.00
    3    3    8      8.99      0.00
    0    4    8     -1.49      0.00
    1    4    8      0.95      0.00
    2    4    8      2.48      0.00
    3    4    8     -0.30      0.00
    4    4    8     -4.75      0.00
    1    5    8     -2.46      0.00
    2    5    8     -2.09      0.00
    3    5    8     -3.39      0.00
    4    5    8     -3.95      0.00
    5    5    8     -2.16      0.00
    0    6    8      3.14      0.00
    1    6    8     -1.56      0.00
    2    6    8     -3.60      0.00
    3    6    8     -0.12      0.00
    4    6    8      3.18      0.00
    5    6    8      0.55      0.00
    6    6    8     -4.21      0.00
    1    7    8     -4.72      0.00
    2    7    8      5.87      0.00
    3    7    8      5.89      0.00
    4    7    8      1.27      0.00
    5    7    8     -1.97      0.00
    6    7    8      2.08      0.00
    7    7    8      3.03      0.00
    0    8    8     -5.27      0.00
    1    8    8      2.54      0.00
    2    8    8      2.38      0.00
    3    8    8     -2.94      0.00
    4    8    8     -1.39      0.00
    5    8    8      3.45      0.00
    6    8    8      2.39      0.00
    7    8    8     -2.72      0.00
    8    8    8      0.88      0.00
    1    9    8     -1.53      0.00
    2    9    8     -5.71      0.00
    3    9    8      1.56      0.00
    4    9    8      0.89      0.00
    5    9    8      0.80      0.00
    6    9    8     -3.33      0.00
    7    9    8      1.07      0.00
    8    9    8     -2.97      0.00
    9    9    8     -0.75      0.00
    0   10    8     -0.23      0.00
    1   10    8     -1.64      0.00
    2   10    8      4.49      0.00
    3   10    8      1.26      0.00
    4   10    8      0.42      0.00
    5   10    8     -1.40      0.00
    6   10    8      0.35      0.00
    7   10    8     -2.95      0.00
    8   10    8      0.45      0.00
    9   10    8     -0.03      0.00
   10   10    8      2.65      0.00
    1   11    8      1.27      0.00
    2   11    8      2.37      0.00
    3   11    8     -0.19      0.00
    4   11    8      2.56      0.00
    5   11    8     -3.95      0.00
    6   11    8     -0.49      0.00
    7   11    8     -0.07      0.00
    8   11    8      0.71      0.00
    9   11    8     -2.28      0.00
   10   11    8      4.40      0.00
   11   11    8      2.19      0.00
    0   12    8      1.99      0.00
    1   12    8      0.46      0.00
    2   12    8     -3.64      0.00
    3   12    8      0.03      0.00
    4   12    8     -7.15      0.00
    5   12    8      0.15      0.00
    6   12    8      3.77      0.00
    7   12    8      3.29      0.00
    8   12    8     -5.82      0.00
    9   12    8      3.54      0.00
   10   12    8     -1.86      0.00
   11   12    8     -3.22      0.00
   12   12    8     -4.10      0.00
    1   13    8     -3.46      0.00
    2   13    8     -3.65      0.00
    3   13    8     -2.33      0.00
    4   13    8     -1.07      0.00
    5   13    8      9.18      0.00
    6   13    8      1.39      0.00
    7   13    8     -2.88      0.00
    8   13    8     -0.40      0.00
    9   13    8     -1.83      0.00
   10   13    8     -3.48      0.00
   11   13    8      0.98      0.00
   12   13    8      1.80      0.00
    0   14    8      3.79      0.00
    1   14    8     -0.40      0.00
    2   14    8     -1.98      0.00
    3   14    8      4.41      0.00
    4   14    8      7.14      0.00
    5   14    8     -4.65      0.00
    6   14    8     -3.35      0.00
    7   14    8      2.67      0.00
    8   14    8      1.65      0.00
    9   14    8     -3.48      0.00
   10   14    8      6.03      0.00
    1   15    8     -4.28      0.00
    2   15    8      0.12      0.00
    3   15    8      4.40      0.00
    4   15    8      2.16      0.00
    5   15    8     -4.66      0.00
    6   15    8     -1.04      0.00
    7   15    8      1.10      0.00
    8   15    8     -3.07      0.00
    9   15    8      3.39      0.00
    0   16    8      1.02      0.00
    1   16    8     -5.14      0.00
    2   16    8      0.61      0.00
    3   16    8      3.94      0.00
    4   16    8     -3.42      0.00
    5   16    8     -4.89      0.00
    6   16    8      3.78      0.00
    7   16    8      2.71      0.00
    1   17    8     -0.83      0.00
    2   17    8      3.02      0.00
    3   17    8     -2.16      0.00
    4   17    8     -2.40      0.00
    5   17    8      2.18      0.00
    0    1    9     -7.21      0.00
    1    2    9     -2.04      0.00
    0    3    9     -0.44      0.00
    1    3    9      0.58      0.00
    2    3    9      6.36      0.00
    1    4    9     -6.62      0.00
    2    4    9     -4.36      0.00
    3    4    9     -0.97      0.00
    0    5    9    -11.17      0.00
    1    5    9     -0.88      0.00
    2    5    9      4.10      0.00
    3    5    9      2.49      0.00
    4    5    9     -7.13      0.00
    1    6    9      5.84      0.00
    2    6    9      7.01      0.00
    3    6    9      2.74      0.00
    4    6    9     -0.71      0.00
    5    6    9      4.55      0.00
    0    7    9      1.16      0.00
    1    7    9      2.05      0.00
    2    7    9      4.02      0.00
    3    7    9     -5.39      0.00
    4    7    9     -2.04      0.00
    5    7    9     -0.23      0.00
    6    7    9      4.88      0.00
    1    8    9      2.07      0.00
    2    8    9     -5.39      0.00
    3    8    9     -5.47      0.00
    4    8    9      0.48      0.00
    5    8    9      0.36      0.00
    6    8    9     -1.41      0.00
    7    8    9     -5.42      0.00
    0    9    9      2.53      0.00
    1    9    9      0.31      0.00
    2    9    9     -1.22      0.00
    3    9    9      2.84      0.00
    4    9    9      1.37      0.00
    5    9    9     -1.44      0.00
    6    9    9     -2.11      0.00
    7    9    9     -0.39      0.00
    8    9    9      5.60      0.00
    1   10    9      0.75      0.00
    2   10    9      1.35      0.00
    3   10    9     -0.25      0.00
    4   10    9      0.90      0.00
    5   10    9     -0.75      0.00
    6   10    9      0.89      0.00
    7   10    9      2.38      0.00
    8   10    9      2.96      0.00
    9   10    9     -5.09      0.00
    0   11    9     -3.40      0.00
    1   11    9     -3.17      0.00
    2   11    9     -2.81      0.00
    3   11    9      1.13      0.00
    4   11    9      0.05      0.00
    5   11    9      1.93      0.00
    6   11    9     -3.81      0.00
    7   11    9      1.01      0.00
    8   11    9     -4.21      0.00
    9   11    9      0.39      0.00
   10   11    9     -1.90      0.00
    1   12    9     -3.64      0.00
    2   12    9      0.86      0.00
    3   12    9      4.73      0.00
    4   12    9     -2.43      0.00
    5   12    9     -2.14      0.00
    6   12    9     -2.25      0.00
    7   12    9      4.53      0.00
    8   12    9     -1.05      0.00
    9   12    9      1.18      0.00
   10   12    9     -0.51      0.00
   11   12    9      3.94      0.00
    0   13    9     -1.97      0.00
    1   13    9      3.52      0.00
    2   13    9      6.30      0.00
    3   13    9     -0.76      0.00
    4   13    9      0.18      0.00
    5   13    9     -1.80      0.00
    6   13    9      4.76      0.00
    7   13    9     -0.80      0.00
    8   13    9      0.40      0.00
    9   13    9      2.59      0.00
   10   13    9      5.76      0.00
   11   13    9     -0.51      0.00
    1   14    9      4.42      0.00
    2   14    9      1.05      0.00
    3   14    9     -2.48      0.00
    4   14    9      1.97      0.00
    5   14    9     -2.72      0.00
    6   14    9      2.86      0.00
    7   14    9     -1.43      0.00
    8   14    9     -0.82      0.00
    9   14    9     -0.55      0.00
   10   14    9     -2.02      0.00
    0   15    9      6.62      0.00
    1   15    9     -5.45      0.00
    2   15    9     -4.57      0.00
    3   15    9      2.67      0.00
    4   15    9     -2.97      0.00
    5   15    9     -2.77      0.00
    6   15    9      2.15      0.00
    7   15    9     -0.16      0.00
    8   15    9     -2.17      0.00
    1   16    9     -8.95      0.00
    2   16    9      3.70      0.00
    3   16    9      1.05      0.00
    4   16    9     -6.86      0.00
    5   16    9      4.36      0.00
    6   16    9      2.17      0.00
    0   17    9     -3.72      0.00
    1   17    9      4.75      0.00
    2   17    9     -0.56      0.00
    3   17    9      0.19      0.00
    0    0   10      1.47      0.00
    1    1   10     -6.54      0.00
    0    2   10     -7.57      0.00
    1    2   10     -0.72      0.00
    2    2   10     12.68      0.00
    1    3   10      1.32      0.00
    2    3   10     -1.24      0.00
    3    3   10     -3.19      0.00
    0    4   10     -9.48      0.00
    1    4   10      0.91      0.00
    2    4   10      1.04      0.00
    3    4   10      1.08      0.00
    4    4   10     -6.55      0.00
    1    5   10      8.41      0.00
    2    5   10      1.71      0.00
    3    5   10     -2.18      0.00
    4    5   10      0.73      0.00
    5    5   10      8.93      0.00
    0    6   10      5.98      0.00
    1    6   10     -1.07      0.00
    2    6   10      2.21      0.00
    3    6   10     -1.87      0.00
    4    6   10      0.92      0.00
    5    6   10     -2.10      0.00
    6    6   10      6.73      0.00
    1    7   10     -1.07      0.00
    2    7   10     -4.10      0.00
    3    7   10     -4.88      0.00
    4    7   10     -2.05      0.00
    5    7   10      2.35      0.00
    6    7   10      2.78      0.00
    7    7   10    -10.18      0.00
    0    8   10      3.40      0.00
    1    8   10     -0.73      0.00
    2    8   10     -4.33      0.00
    3    8   10      4.83      0.00
    4    8   10      1.54      0.00
    5    8   10      2.08      0.00
    6    8   10     -6.74      0.00
    7    8   10     -0.08      0.00
    8    8   10      1.08      0.00
    1    9   10     -0.22      0.00
    2    9   10      5.68      0.00
    3    9   10     -1.10      0.00
    4    9   10     -0.37      0.00
    5    9   10     -0.90      0.00
    6    9   10     -1.30      0.00
    7    9   10      2.94      0.00
    8    9   10      0.38      0.00
    9    9   10     -0.32      0.00
    0   10   10     -1.78      0.00
    1   10   10     -0.27      0.00
    2   10   10     -3.76      0.00
    3   10   10     -1.85      0.00
    4   10   10      0.33      0.00
    5   10   10     -1.68      0.00
    6   10   10      5.04      0.00
    7   10   10      2.50      0.00
    8   10   10     -3.79      0.00
    9   10   10      0.13      0.00
   10   10   10      2.83      0.00
    1   11   10      0.21      0.00
    2   11   10     -0.34      0.00
    3   11   10      4.28      0.00
    4   11   10     -5.61      0.00
    5   11   10      1.13      0.00
    6   11   10      3.21      0.00
    7   11   10     -0.64      0.00
    8   11   10     -1.63      0.00
    9   11   10      3.58      0.00
   10   11   10      0.25      0.00
   11   11   10     -1.28      0.00
    0   12   10      3.91      0.00
    1   12   10      2.79      0.00
    2   12   10      4.20      0.00
    3   12   10     -2.91      0.00
    4   12   10     -1.85      0.00
    5   12   10      0.40      0.00
    6   12   10      3.97      0.00
    7   12   10     -0.24      0.00
    8   12   10      0.32      0.00
    9   12   10     -1.28      0.00
   10   12   10     -0.54      0.00
   11   12   10     -0.88      0.00
    1   13   10     -2.88      0.00
    2   13   10      0.59      0.00
    3   13   10     -2.17      0.00
    4   13   10      4.17      0.00
    5   13   10      0.84      0.00
    6   13   10      4.19      0.00
    7   13   10     -5.83      0.00
    8   13   10     -2.49      0.00
    9   13   10     -1.05      0.00
   10   13   10     -2.77      0.00
    0   14   10     -5.26      0.00
    1   14   10     -2.06      0.00
    2   14   10      2.01      0.00
    3   14   10     -0.80      0.00
    4   14   10     -2.57      0.00
    5   14   10      4.23      0.00
    6   14   10     -1.95      0.00
    7   14   10     -5.27      0.00
    8   14   10     -0.77      0.00
    9   14   10      1.35      0.00
    1   15   10     -0.69      0.00
    2   15   10     -0.19      0.00
    3   15   10     -0.46      0.00
    4   15   10     -4.66      0.00
    5   15   10      0.73      0.00
    6   15   10     -4.95      0.00
    7   15   10      2.98      0.00
    0   16   10     -5.05      0.00
    1   16   10      4.56      0.00
    2   16   10     -0.62      0.00
    3   16   10     -0.51      0.00
    4   16   10      0.99      0.00
    5   16   10     -1.97      0.00
    0    1   11      5.14      0.00
    1    2   11      0.92      0.00
    0    3   11     -3.64      0.00
    1    3   11      0.85      0.00
    2    3   11     -0.26      0.00
    1    4   11      1.83      0.00
    2    4   11     -0.19      0.00
    3    4   11     -0.86      0.00
    0    5   11     -1.59      0.00
    1    5   11     -1.27      0.00
    2    5   11      3.23      0.00
    3    5   11     -1.38      0.00
    4    5   11      1.60      0.00
    1    6   11      0.22      0.00
    2    6   11     -2.17      0.00
    3    6   11     -1.20      0.00
    4    6   11      1.71      0.00
    5    6   11      0.46      0.00
    0    7   11     -0.81      0.00
    1    7   11      0.18      0.00
    2    7   11      0.55      0.00
    3    7   11      3.53      0.00
    4    7   11     -2.69      0.00
    5    7   11      1.36      0.00
    6    7   11     -3.88      0.00
    1    8   11      1.10      0.00
    2    8   11      3.44      0.00
    3    8   11     -4.81      0.00
    4    8   11     -2.53      0.00
    5    8   11      3.59      0.00
    6    8   11     -3.27      0.00
    7    8   11     -2.99      0.00
    0    9   11      0.27      0.00
    1    9   11     -0.56      0.00
    2    9   11     -5.71      0.00
    3    9   11     -5.10      0.00
    4    9   11      6.86      0.00
    5    9   11      3.72      0.00
    6    9   11      0.15      0.00
    7    9   11     -0.09      0.00
    8    9   11      2.82      0.00
    1   10   11      0.16      0.00
    2   10   11     -2.33      0.00
    3   10   11      5.24      0.00
    4   10   11      5.03      0.00
    5   10   11      3.12      0.00
    6   10   11     -0.86      0.00
    7   10   11     -4.71      0.00
    8   10   11      3.03      0.00
    9   10   11      8.97      0.00
    0   11   11      8.96      0.00
    1   11   11      2.31      0.00
    2   11   11     -0.25      0.00
    3   11   11      2.14      0.00
    4   11   11      2.07      0.00
    5   11   11     -4.19      0.00
    6   11   11     -5.50      0.00
    7   11   11     -3.44      0.00
    8   11   11      4.76      0.00
    9   11   11     -3.39      0.00
   10   11   11     -7.03      0.00
    1   12   11     -1.89      0.00
    2   12   11     -0.52      0.00
    3   12   11     -5.32      0.00
    4   12   11     -0.53      0.00
    5   12   11     -0.63      0.00
    6   12   11     -0.19      0.00
    7   12   11     -3.80      0.00
    8   12   11     -0.72      0.00
    9   12   11     -0.55      0.00
   10   12   11      3.66      0.00
    0   13   11     -4.32      0.00
    1   13   11     -3.49      0.00
    2   13   11     -4.16      0.00
    3   13   11      0.60      0.00
    4   13   11      2.61      0.00
    5   13   11      3.99      0.00
    6   13   11     -3.30      0.00
    7   13   11      2.40      0.00
    8   13   11      4.27      0.00
    9   13   11      5.38      0.00
    1   14   11      0.23      0.00
    2   14   11      0.55      0.00
    3   14   11      4.36      0.00
    4   14   11     -4.15      0.00
    5   14   11      2.05      0.00
    6   14   11      0.95      0.00
    7   14   11      1.59      0.00
    8   14   11     -1.55      0.00
    0   15   11     -0.49      0.00
    1   15   11      4.23      0.00
    2   15   11      2.34      0.00
    3   15   11     -3.41      0.00
    4   15   11      0.35      0.00
    5   15   11      2.73      0.00
    6   15   11     -2.83      0.00
    1   16   11      2.37      0.00
    2   16   11      0.67      0.00
    0    0   12     25.76      0.00
    1    1   12    -12.12      0.00
    0    2   12     -4.33      0.00
    1    2   12     -0.74      0.00
    2    2   12     -6.75      0.00
    1    3   12     -1.85      0.00
    2    3   12      1.35      0.00
    3    3   12      4.45      0.00
    0    4   12     -4.47      0.00
    1    4   12      1.53      0.00
    2    4   12      6.68      0.00
    3    4   12     -0.22      0.00
    4    4   12     -0.73      0.00
    1    5   12      3.67      0.00
    2    5   12     -2.44      0.00
    3    5   12     -1.34      0.00
    4    5   12      2.30      0.00
    5    5   12     -5.98      0.00
    0    6   12      1.52      0.00
    1    6   12     -1.88      0.00
    2    6   12     -3.18      0.00
    3    6   12      3.11      0.00
    4    6   12     -1.66      0.00
    5    6   12     -2.04      0.00
    6    6   12      0.53      0.00
    1    7   12     -2.45      0.00
    2    7   12      1.35      0.00
    3    7   12      3.22      0.00
    4    7   12     -0.99      0.00
    5    7   12      1.48      0.00
    6    7   12     -4.71      0.00
    7    7   12      0.04      0.00
    0    8   12     -4.12      0.00
    1    8   12     -0.34      0.00
    2    8   12      6.49      0.00
    3    8   12      1.87      0.00
    4    8   12     -2.17      0.00
    5    8   12     -5.16      0.00
    6    8   12      0.19      0.00
    7    8   12      4.99      0.00
    8    8   12      3.29      0.00
    1    9   12     -2.57      0.00
    2    9   12      0.60      0.00
    3    9   12      0.37      0.00
    4    9   12     -1.99      0.00
    5    9   12     -2.43      0.00
    6    9   12      5.76      0.00
    7    9   12      2.79      0.00
    8    9   12      3.29      0.00
    9    9   12     -0.02      0.00
    0   10   12     -4.36      0.00
    1   10   12     -0.48      0.00
    2   10   12      0.12      0.00
    3   10   12      0.72      0.00
    4   10   12      2.60      0.00
    5   10   12     -1.97      0.00
    6   10   12     -2.50      0.00
    7   10   12      3.51      0.00
    8   10   12      4.27      0.00
    9   10   12     -6.08      0.00
   10   10   12     -9.13      0.00
    1   11   12      0.65      0.00
    2   11   12      2.27      0.00
    3   11   12      4.54      0.00
    4   11   12      1.21      0.00
    5   11   12     -5.54      0.00
    6   11   12      0.30      0.00
    7   11   12      3.95      0.00
    8   11   12     -6.86      0.00
    9   11   12     -6.32      0.00
   10   11   12      0.38      0.00
    0   12   12      3.70      0.00
    1   12   12      0.59      0.00
    2   12   12     -0.06      0.00
    3   12   12      1.27      0.00
    4   12   12     -5.00      0.00
    5   12   12      1.62      0.00
    6   12   12      0.60      0.00
    7   12   12     -5.29      0.00
    8   12   12     -1.62      0.00
    9   12   12      7.30      0.00
    1   13   12     -1.59      0.00
    2   13   12     -1.81      0.00
    3   13   12     -1.39      0.00
    4   13   12     -5.51      0.00
    5   13   12      0.96      0.00
    6   13   12     -6.90      0.00
    7   13   12      2.50      0.00
    8   13   12     11.52      0.00
    0   14   12      2.09      0.00
    1   14   12      0.01      0.00
    2   14   12     -3.65      0.00
    3   14   12     -4.80      0.00
    4   14   12      6.51      0.00
    5   14   12      1.56      0.00
    6   14   12     -2.77      0.00
    1   15   12     -0.45      0.00
    2   15   12     -1.42      0.00
    3   15   12      3.23      0.00
    4   15   12     14.15      0.00
    0    1   13     -2.54      0.00
    1    2   13     -1.51      0.00
    0    3   13      3.17      0.00
    1    3   13      2.43      0.00
    2    3   13     -1.87      0.00
    1    4   13     -2.08      0.00
    2    4   13     -1.85      0.00
    3    4   13      2.25      0.00
    0    5   13      0.72      0.00
    1    5   13     -2.77      0.00
    2    5   13      0.28      0.00
    3    5   13      0.16      0.00
    4    5   13     -1.03      0.00
    1    6   13      1.99      0.00
    2    6   13      1.39      0.00
    3    6   13     -2.14      0.00
    4    6   13     -1.42      0.00
    5    6   13     -0.02      0.00
    0    7   13     -0.50      0.00
    1    7   13      1.65      0.00
    2    7   13     -0.99      0.00
    3    7   13      1.08      0.00
    4    7   13      1.29      0.00
    5    7   13     -1.72      0.00
    6    7   13      2.42      0.00
    1    8   13      0.04      0.00
    2    8   13      0.57      0.00
    3    8   13      2.86      0.00
    4    8   13     -2.48      0.00
    5    8   13      0.01      0.00
    6    8   13      7.36      0.00
    7    8   13      0.54      0.00
    0    9   13     -0.12      0.00
    1    9   13     -0.15      0.00
    2    9   13      2.36      0.00
    3    9   13     -1.11      0.00
    4    9   13     -3.38      0.00
    5    9   13      1.42      0.00
    6    9   13      1.74      0.00
    7    9   13     -0.60      0.00
    8    9   13     -7.30      0.00
    1   10   13     -4.17      0.00
    2   10   13      0.81      0.00
    3   10   13     -0.24      0.00
    4   10   13     -1.10      0.00
    5   10   13     -1.63      0.00
    6   10   13      0.76      0.00
    7   10   13     -0.28      0.00
    8   10   13     -5.27      0.00
    9   10   13      8.24      0.00
    0   11   13     -9.29      0.00
    1   11   13     -0.51      0.00
    2   11   13      7.44      0.00
    3   11   13     -0.42      0.00
    4   11   13     -7.20      0.00
    5   11   13      0.29      0.00
    6   11   13      5.01      0.00
    7   11   13      0.00      0.00
    8   11   13     -1.62      0.00
    9   11   13     -0.97      0.00
    1   12   13      2.76      0.00
    2   12   13     -1.49      0.00
    3   12   13     -1.46      0.00
    4   12   13     -3.04      0.00
    5   12   13      3.04      0.00
    6   12   13      0.22      0.00
    7   12   13     -2.00      0.00
    8   12   13     -0.51      0.00
    0   13   13      1.11      0.00
    1   13   13     -1.26      0.00
    2   13   13      1.16      0.00
    3   13   13      2.38      0.00
    4   13   13     -0.54      0.00
    5   13   13     -1.76      0.00
    6   13   13      3.03      0.00
    7   13   13      4.65      0.00
    1   14   13      0.32      0.00
    2   14   13      5.90      0.00
    3   14   13     -2.53      0.00
    4   14   13      3.12      0.00
    0    0   14     -1.31      0.00
    1    1   14     -1.35      0.00
    0    2   14     -1.63      0.00
    1    2   14     -0.68      0.00
    2    2   14      1.69      0.00
    1    3   14     -3.16      0.00
    2    3   14     -0.04      0.00
    3    3   14      3.92      0.00
    0    4   14     -1.10      0.00
    1    4   14     -0.25      0.00
    2    4   14      1.32      0.00
    3    4   14      1.33      0.00
    4    4   14      0.35      0.00
    1    5   14     -0.52      0.00
    2    5   14      2.66      0.00
    3    5   14      0.19      0.00
    4    5   14     -1.90      0.00
    5    5   14     -4.64      0.00
    0    6   14     -4.98      0.00
    1    6   14      1.53      0.00
    2    6   14      2.66      0.00
    3    6   14     -2.71      0.00
    4    6   14     -3.49      0.00
    5    6   14      0.34      0.00
    6    6   14      9.45      0.00
    1    7   14      3.39      0.00
    2    7   14     -2.29      0.00
    3    7   14      1.75      0.00
    4    7   14      1.46      0.00
    5    7   14      3.06      0.00
    6    7   14      1.30      0.00
    7    7   14     -3.73      0.00
    0    8   14      4.55      0.00
    1    8   14     -0.28      0.00
    2    8   14     -0.19      0.00
    3    8   14      1.73      0.00
    4    8   14     -2.67      0.00
    5    8   14      0.55      0.00
    6    8   14     -3.06      0.00
    7    8   14      0.27      0.00
    8    8   14      1.30      0.00
    1    9   14     -0.33      0.00
    2    9   14     -1.74      0.00
    3    9   14     -6.96      0.00
    4    9   14      0.32      0.00
    5    9   14      3.93      0.00
    6    9   14      0.27      0.00
    7    9   14     -3.58      0.00
    8    9   14     -2.06      0.00
    9    9   14      8.36      0.00
    0   10   14     -3.14      0.00
    1   10   14     -4.67      0.00
    2   10   14      0.62      0.00
    3   10   14      1.27      0.00
    4   10   14      2.99      0.00
    5   10   14      0.26      0.00
    6   10   14     -4.10      0.00
    7   10   14     -3.43      0.00
    8   10   14      2.91      0.00
    9   10   14      1.03      0.00
    1   11   14      1.20      0.00
    2   11   14      3.84      0.00
    3   11   14      1.27      0.00
    4   11   14     -1.40      0.00
    5   11   14      0.32      0.00
    6   11   14     -0.26      0.00
    7   11   14      0.23      0.00
    8   11   14     -0.95      0.00
    0   12   14     -1.78      0.00
    1   12   14      4.53      0.00
    2   12   14     -0.18      0.00
    3   12   14      1.82      0.00
    4   12   14      4.09      0.00
    5   12   14     -1.08      0.00
    6   12   14     -1.17      0.00
    7   12   14      0.71      0.00
    1   13   14     -2.03      0.00
    2   13   14      0.51      0.00
    3   13   14      1.44      0.00
    4   13   14     -0.70      0.00
    5   13   14     -2.05      0.00
    0    1   15      1.32      0.00
    1    2   15     -1.25      0.00
    0    3   15     -0.49      0.00
    1    3   15      4.08      0.00
    2    3   15      1.60      0.00
    1    4   15      1.48      0.00
    2    4   15     -1.70      0.00
    3    4   15     -1.03      0.00
    0    5   15     -1.01      0.00
    1    5   15     -3.46      0.00
    2    5   15      0.32      0.00
    3    5   15      0.69      0.00
    4    5   15     -0.77      0.00
    1    6   15      1.39      0.00
    2    6   15      3.77      0.00
    3    6   15     -1.66      0.00
    4    6   15     -5.01      0.00
    5    6   15      7.51      0.00
    0    7   15      3.85      0.00
    1    7   15      1.61      0.00
    2    7   15     -2.89      0.00
    3    7   15     -1.50      0.00
    4    7   15     -0.62      0.00
    5    7   15      3.97      0.00
    6    7   15     -8.42      0.00
    1    8   15     -1.61      0.00
    2    8   15      3.44      0.00
    3    8   15     -2.42      0.00
    4    8   15     -0.67      0.00
    5    8   15     -2.76      0.00
    6    8   15      2.84      0.00
    7    8   15      7.06      0.00
    0    9   15     -0.87      0.00
    1    9   15      1.89      0.00
    2    9   15      2.83      0.00
    3    9   15     -5.27      0.00
    4    9   15      0.82      0.00
    5    9   15     -0.42      0.00
    6    9   15      4.26      0.00
    7    9   15     -4.56      0.00
    8    9   15     -7.40      0.00
    1   10   15     -0.38      0.00
    2   10   15     -3.71      0.00
    3   10   15      2.35      0.00
    4   10   15     -2.53      0.00
    5   10   15     -0.89      0.00
    6   10   15      1.09      0.00
    7   10   15     -0.54      0.00
    8   10   15      0.20      0.00
    0   11   15     -9.60      0.00
    1   11   15     -0.62      0.00
    2   11   15      4.00      0.00
    3   11   15      3.88      0.00
    4   11   15     -4.64      0.00
    5   11   15      5.67      0.00
    6   11   15      5.05      0.00
    1   12   15      9.61      0.00
    2   12   15      5.85      0.00
    3   12   15     -6.76      0.00
    4   12   15      1.18      0.00
    0    0   16     -7.88      0.00
    1    1   16      0.00      0.00
    0    2   16     -0.65      0.00
    1    2   16      1.94      0.00
    2    2   16      6.72      0.00
    1    3   16      4.08      0.00
    2    3   16     -0.34      0.00
    3    3   16     -3.48      0.00
    0    4   16      1.22      0.00
    1    4   16     -1.06      0.00
    2    4   16     -3.66      0.00
    3    4   16     -2.18      0.00
    4    4   16      4.42      0.00
    1    5   16     -5.20      0.00
    2    5   16     -1.36      0.00
    3    5   16      2.80      0.00
    4    5   16     -0.87      0.00
    5    5   16     -1.81      0.00
    0    6   16     -2.35      0.00
    1    6   16      0.81      0.00
    2    6   16     -0.60      0.00
    3    6   16     -1.79      0.00
    4    6   16     -0.21      0.00
    5    6   16      3.95      0.00
    6    6   16     -8.62      0.00
    1    7   16      1.54      0.00
    2    7   16      0.72      0.00
    3    7   16     -1.60      0.00
    4    7   16      3.77      0.00
    5    7   16      0.24      0.00
    6    7   16     -0.28      0.00
    7    7   16     -1.57      0.00
    0    8   16      1.65      0.00
    1    8   16      2.41      0.00
    2    8   16      1.93      0.00
    3    8   16     -3.50      0.00
    4    8   16      2.46      0.00
    5    8   16      0.74      0.00
    6    8   16      4.09      0.00
    7    8   16     -4.31      0.00
    8    8   16     -0.76      0.00
    1    9   16      1.80      0.00
    2    9   16     -4.38      0.00
    3    9   16     -1.97      0.00
    4    9   16      2.00      0.00
    5    9   16      6.02      0.00
    6    9   16     -4.78      0.00
    7    9   16     -2.01      0.00
    0   10   16      0.68      0.00
    1   10   16      0.09      0.00
    2   10   16     -6.27      0.00
    3   10   16      2.46      0.00
    4   10   16      4.24      0.00
    5   10   16      0.74      0.00
    6   10   16     -5.54      0.00
    1   11   16      3.34      0.00
    2   11   16      0.09      0.00
    3   11   16     -2.64      0.00
    4   11   16      1.70      0.00
    0    1   17      0.44      0.00
    1    2   17      6.91      0.00
    0    3   17      3.70      0.00
    1    3   17     -1.20      0.00
    2    3   17     -4.55      0.00
    1    4   17     -5.04      0.00
    2    4   17     -1.30      0.00
    3    4   17      0.35      0.00
    0    5   17     -1.93      0.00
    1    5   17     -1.53      0.00
    2    5   17     -0.57      0.00
    3    5   17      0.85      0.00
    4    5   17     -1.03      0.00
    1    6   17     -2.19      0.00
    2    6   17      3.64      0.00
    3    6   17      6.97      0.00
    4    6   17      0.00      0.00
    5    6   17     -7.04      0.00
    0    7   17     -5.34      0.00
    1    7   17      4.93      0.00
    2    7   17      7.51      0.00
    3    7   17     -2.30      0.00
    4    7   17     -0.54      0.00
    5    7   17     -2.44      0.00
    6    7   17      7.73      0.00
    1    8   17      1.70      0.00
    2    8   17     -4.78      0.00
    3    8   17      0.10      0.00
    4    8   17     -1.79      0.00
    5    8   17     -0.75      0.00
    6    8   17      3.34      0.00
    0    9   17     -0.14      0.00
    1    9   17     -4.02      0.00
    2    9   17     -2.75      0.00
    3    9   17      1.64      0.00
    4    9   17     -1.64      0.00
    5    9   17      4.67      0.00
    1   10   17      1.60      0.00
    2   10   17      3.01      0.00
    0    0   18    -18.05      0.00
    1    1   18     11.47      0.00
    0    2   18      8.17      0.00
    1    2   18     -0.15      0.00
    2    2   18      1.97      0.00
    1    3   18     -0.23      0.00
    2    3   18     -1.46      0.00
    3    3   18    -11.08      0.00
    0    4   18     -2.09      0.00
    1    4   18     -1.55      0.00
    2    4   18     -5.54      0.00
    3    4   18     -0.50      0.00
    4    4   18      0.03      0.00
    1    5   18      0.96      0.00
    2    5   18      0.22      0.00
    3    5   18      3.73      0.00
    4    5   18      1.34      0.00
    5    5   18     11.23      0.00
    0    6   18     -0.39      0.00
    1    6   18      2.73      0.00
    2    6   18      4.83      0.00
    3    6   18      0.45      0.00
    4    6   18      4.52      0.00
    5    6   18      1.59      0.00
    6    6   18     -4.19      0.00
    1    7   18     -0.64      0.00
    2    7   18     -2.17      0.00
    3    7   18      0.50      0.00
    4    7   18      1.57      0.00
    5    7   18    -11.35      0.00
    0    8   18      1.10      0.00
    1    8   18     -2.63      0.00
    2    8   18     -1.81      0.00
    3    8   18     -0.71      0.00
    0    1   19     10.07      0.00
    1    2   19      3.76      0.00
    0    3   19     -0.75      0.00
    1    3   19     -1.53      0.00
    2    3   19     -9.69      0.00
    1    4   19      2.65      0.00
    2    4   19      2.97      0.00
    3    4   19      4.06      0.00
    0    5   19      3.14      0.00
    1    5   19      0.93      0.00
    2    5   19      2.54      0.00
    3    5   19      2.14      0.00
    4    5   19      2.52      0.00
    1    6   19     -2.99      0.00
    2    6   19      0.24      0.00
    0    0   20      4.21      0.00
    1    1   20      6.74      0.00
    0    2   20      5.09      0.00
    1    2   20      1.30      0.00
    1    1    0   -273.34      0.00
   11   16    1    -12.93      0.00
    7   18    1     -3.45      0.00
    4   19    1      7.20      0.00
   12   15    2      1.27      0.00
    9   17    2     -1.63      0.00
    7   18    2      0.48      0.00
    3   19    2     -0.45      0.00
   13   14    3      6.76      0.00
   12   15    3      0.12      0.00
    9   17    3     -1.18      0.00
    2   19    3      1.37      0.00
    3   19    3     -2.84      0.00
   13   14    4      3.75      0.00
    6   18    4     -3.69      0.00
    1   19    4      2.10      0.00
    2   19    4     -3.04      0.00
   10   16    5      0.45      0.00
    8   17    5      3.96      0.00
   12   14    6     -2.06      0.00
   11   15    6     -1.96      0.00
    2   18    7      2.05      0.00
    3   18    7     -1.92      0.00
   11   14    8      4.20      0.00
    8   16    8     -1.30      0.00
    9   15    9     -0.44      0.00
    7   16    9     -1.72      0.00
    4   17    9      2.25      0.00
   12   12   10      3.93      0.00
    8   15   10      4.77      0.00
   11   12   11     -2.53      0.00
   10   13   11     -1.82      0.00
    3   16   11     -2.30      0.00
   11   11   12      3.83      0.00
   10   12   12      2.37      0.00
    7   14   12      6.88      0.00
   10   11   13     -3.64      0.00
    9   12   13     -3.98      0.00
    5   14   13      1.69      0.00
    0   15   13     -0.61      0.00
    1   15   13      2.00      0.00
   10   10   14     -6.04      0.00
    0   14   14     -3.93      0.00
    1   14   14     -1.94      0.00
    2   14   14      2.54      0.00
    7   11   15      0.25      0.00
    5   12   15      4.43      0.00
    0   13   15      3.83      0.00
    1   13   15      0.93      0.00
    2   13   15     -0.47      0.00
    8    9   16      1.09      0.00
    5   11   16     -1.32      0.00
    0   12   16      7.52      0.00
    1   12   16     -2.10      0.00
    7    8   17      1.76      0.00
    3   10   17     -1.98      0.00
    4   10   17      2.36      0.00
    4    8   18     -6.81      0.00
    1    9   18     -1.55      0.00
    3    6   19     -3.78      0.00
    0    7   19     -3.09      0.00
    1    7   19     -0.95      0.00
    2    2   20    -12.00      0.00
    1    3   20     -3.64      0.00
    2    3   20      0.58      0.00
    0    0    0      0.00      0.00
# SQUEEZE RESULTS (Version = 110917)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.250  0.250  0.243      1464       247 ' '
   2 -0.250  0.750  0.743      1464       247 ' '
   3  0.250  0.750  0.250        23        -1 ' '
   4  0.250  0.750  0.750        23        -1 ' '
   5  0.750  0.250  0.750        23        -1 ' '
   6  0.750  0.250  0.250        23        -1 ' '
# Missing Reflections Below sin(th)/lambda = 0.25
loop_
  _platon_missing_refln_index_h
  _platon_missing_refln_index_k
  _platon_missing_refln_index_l
  _platon_missing_refln_theta
    1    1    0     1.438
_platon_squeeze_void_probe_radius                  1.20
_platon_squeeze_details
 
# Solvent Accessible Volume =      3026
# Electrons Found in S.A.V. =       490
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others

;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x+1/2, y, -z+1/2'
'x, -y+1/2, -z+1/2'
'y, x, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x-1/2, -y, z-1/2'
'-x, y-1/2, z-1/2'
'-y, -x, z-1/2'
'y-1/2, x-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.5428(7) 0.0690(6) 0.3742(5) 0.087(4) Uani 1 1 d . .
H1 H 0.5850 0.0730 0.3561 0.104 Uiso 1 1 calc R U
C2 C 0.4906(8) 0.0497(7) 0.3398(6) 0.095(5) Uani 1 1 d . .
H2 H 0.4968 0.0401 0.2968 0.114 Uiso 1 1 calc R U
C3 C 0.4270(9) 0.0433(7) 0.3659(7) 0.097(5) Uani 1 1 d . .
H3 H 0.3920 0.0312 0.3391 0.117 Uiso 1 1 calc R U
C4 C 0.4140(6) 0.0536(6) 0.4272(6) 0.072(4) Uani 1 1 d . .
H4 H 0.3717 0.0477 0.4447 0.087 Uiso 1 1 calc R U
C5 C 0.4698(6) 0.0743(5) 0.4641(5) 0.054(3) Uani 1 1 d . .
C6 C 0.5319(7) 0.0833(6) 0.4393(5) 0.056(3) Uani 1 1 d . .
C7 C 0.5566(6) 0.1245(5) 0.6003(5) 0.049(3) Uani 1 1 d . .
C8 C 0.5101(6) 0.1348(5) 0.6466(5) 0.062(3) Uani 1 1 d . .
H8 H 0.4650 0.1321 0.6365 0.075 Uiso 1 1 calc R U
C9 C 0.5293(8) 0.1495(6) 0.7093(5) 0.071(4) Uani 1 1 d . .
C10 C 0.5942(9) 0.1555(7) 0.7210(5) 0.084(4) Uani 1 1 d . .
H10 H 0.6072 0.1689 0.7616 0.101 Uiso 1 1 calc R U
C11 C 0.6426(6) 0.1433(6) 0.6775(5) 0.069(3) Uani 1 1 d . .
H11 H 0.6874 0.1457 0.6889 0.083 Uiso 1 1 calc R U
C12 C 0.6238(7) 0.1267(5) 0.6143(5) 0.057(3) Uani 1 1 d . .
C13 C 0.4755(6) 0.1620(7) 0.7604(5) 0.104(5) Uani 1 1 d . .
H13A H 0.4653 0.1208 0.7817 0.156 Uiso 1 1 calc R U
H13B H 0.4359 0.1791 0.7405 0.156 Uiso 1 1 calc R U
H13C H 0.4918 0.1939 0.7909 0.156 Uiso 1 1 calc R U
Cl1 Cl 0.70336(17) 0.02235(16) 0.44866(15) 0.0845(11) Uani 1 1 d . .
Cl2 Cl 0.67442(16) 0.17406(16) 0.38009(12) 0.0734(10) Uani 1 1 d . .
N1 N 0.4720(5) 0.0893(5) 0.5272(4) 0.064(3) Uani 1 1 d . .
N2 N 0.5342(5) 0.1066(4) 0.5367(4) 0.053(2) Uani 1 1 d . .
N3 N 0.5748(4) 0.1052(4) 0.4852(4) 0.056(2) Uani 1 1 d . .
Nb1 Nb 0.69021(5) 0.13172(5) 0.48390(4) 0.0496(5) Uani 1 1 d . .
O1 O 0.6720(4) 0.1134(3) 0.5708(3) 0.057(2) Uani 1 1 d . .
O2 O 0.7751(3) 0.1521(3) 0.4916(2) 0.0515(19) Uani 1 1 d . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.108(12) 0.123(12) 0.030(7) -0.022(7) -0.016(7) -0.021(9)
C2 0.103(13) 0.126(13) 0.055(8) -0.016(8) -0.029(9) -0.037(10)
C3 0.116(15) 0.104(12) 0.072(11) -0.001(8) -0.038(9) -0.051(10)
C4 0.052(9) 0.092(10) 0.072(9) 0.010(7) -0.025(7) -0.017(7)
C5 0.065(10) 0.061(8) 0.036(7) 0.007(5) -0.008(7) -0.018(7)
C6 0.060(9) 0.066(9) 0.043(8) -0.013(6) -0.013(7) 0.001(7)
C7 0.052(9) 0.058(8) 0.036(7) 0.007(5) -0.010(7) -0.008(6)
C8 0.076(10) 0.053(8) 0.058(8) 0.009(6) 0.012(7) -0.016(7)
C9 0.085(12) 0.087(10) 0.039(8) 0.009(6) 0.006(7) 0.008(9)
C10 0.101(13) 0.128(13) 0.023(7) 0.011(6) 0.009(8) 0.000(10)
C11 0.061(9) 0.103(11) 0.044(8) 0.006(6) -0.008(7) -0.011(7)
C12 0.078(11) 0.076(9) 0.018(7) 0.011(5) 0.000(7) -0.004(7)
C13 0.106(12) 0.162(15) 0.043(7) -0.018(8) 0.020(7) -0.026(10)
Cl1 0.103(3) 0.068(2) 0.083(2) -0.0116(17) 0.0178(18) -0.003(2)
Cl2 0.097(3) 0.089(3) 0.0334(14) -0.0014(14) -0.0062(15) -0.0035(19)
N1 0.057(8) 0.086(8) 0.048(7) 0.004(5) -0.007(5) -0.007(6)
N2 0.063(8) 0.060(7) 0.036(6) 0.005(4) -0.004(6) -0.010(5)
N3 0.061(7) 0.069(6) 0.039(5) 0.003(5) 0.001(6) -0.002(5)
Nb1 0.0604(8) 0.0588(8) 0.0296(6) -0.0008(5) -0.0038(5) -0.0024(5)
O1 0.068(6) 0.080(6) 0.024(4) 0.016(3) -0.007(4) -0.006(4)
O2 0.064(5) 0.063(5) 0.027(3) 0.006(3) 0.001(3) 0.013(4)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C6 117.6(13) . .
C2 C1 H1 121.2 . .
C6 C1 H1 121.2 . .
C1 C2 C3 122.3(13) . .
C1 C2 H2 118.8 . .
C3 C2 H2 118.8 . .
C4 C3 C2 122.9(12) . .
C4 C3 H3 118.5 . .
C2 C3 H3 118.5 . .
C3 C4 C5 114.8(12) . .
C3 C4 H4 122.6 . .
C5 C4 H4 122.6 . .
N1 C5 C6 108.2(9) . .
N1 C5 C4 128.5(13) . .
C6 C5 C4 123.4(11) . .
C5 C6 N3 110.4(9) . .
C5 C6 C1 118.9(11) . .
N3 C6 C1 130.6(13) . .
C8 C7 C12 120.7(10) . .
C8 C7 N2 118.8(11) . .
C12 C7 N2 120.3(10) . .
C7 C8 C9 121.0(11) . .
C7 C8 H8 119.5 . .
C9 C8 H8 119.5 . .
C10 C9 C8 117.4(11) . .
C10 C9 C13 122.8(11) . .
C8 C9 C13 119.7(13) . .
C9 C10 C11 124.1(11) . .
C9 C10 H10 118.0 . .
C11 C10 H10 118.0 . .
C10 C11 C12 118.8(12) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
O1 C12 C7 123.1(9) . .
O1 C12 C11 119.1(11) . .
C7 C12 C11 117.8(10) . .
C9 C13 H13A 109.5 . .
C9 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C9 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N2 N1 C5 103.9(8) . .
N1 N2 N3 116.4(8) . .
N1 N2 C7 120.0(10) . .
N3 N2 C7 123.6(10) . .
N2 N3 C6 101.0(8) . .
N2 N3 Nb1 126.2(7) . .
C6 N3 Nb1 132.7(8) . .
O2 Nb1 O1 98.2(3) . .
O2 Nb1 O2 97.1(4) . 11_666
O1 Nb1 O2 82.3(3) . 11_666
O2 Nb1 Cl1 98.0(2) . .
O1 Nb1 Cl1 98.3(2) . .
O2 Nb1 Cl1 164.7(2) 11_666 .
O2 Nb1 Cl2 97.54(19) . .
O1 Nb1 Cl2 158.7(2) . .
O2 Nb1 Cl2 81.71(17) 11_666 .
Cl1 Nb1 Cl2 93.48(11) . .
O2 Nb1 N3 174.0(3) . .
O1 Nb1 N3 76.0(3) . .
O2 Nb1 N3 80.8(3) 11_666 .
Cl1 Nb1 N3 84.5(2) . .
Cl2 Nb1 N3 87.7(2) . .
C12 O1 Nb1 138.4(6) . .
Nb1 O2 Nb1 167.6(4) . 12_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.327(16) .
C1 C6 1.411(14) .
C1 H1 0.9300 .
C2 C3 1.393(17) .
C2 H2 0.9300 .
C3 C4 1.329(15) .
C3 H3 0.9300 .
C4 C5 1.420(14) .
C4 H4 0.9300 .
C5 N1 1.357(12) .
C5 C6 1.361(13) .
C6 N3 1.364(11) .
C7 C8 1.361(13) .
C7 C12 1.378(14) .
C7 N2 1.452(12) .
C8 C9 1.400(14) .
C8 H8 0.9300 .
C9 C10 1.329(16) .
C9 C13 1.539(15) .
C10 C11 1.354(15) .
C10 H10 0.9300 .
C11 C12 1.416(14) .
C11 H11 0.9300 .
C12 O1 1.355(12) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
Cl1 Nb1 2.327(3) .
Cl2 Nb1 2.357(3) .
N1 N2 1.308(11) .
N2 N3 1.352(10) .
N3 Nb1 2.371(9) .
Nb1 O2 1.756(6) .
Nb1 O1 1.894(6) .
Nb1 O2 2.081(6) 11_666
O2 Nb1 2.081(6) 12_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 0(2) . .
C1 C2 C3 C4 -2(2) . .
C2 C3 C4 C5 2(2) . .
C3 C4 C5 N1 179.2(11) . .
C3 C4 C5 C6 0.1(17) . .
N1 C5 C6 N3 -1.1(13) . .
C4 C5 C6 N3 178.1(10) . .
N1 C5 C6 C1 178.3(10) . .
C4 C5 C6 C1 -2.5(18) . .
C2 C1 C6 C5 2.4(18) . .
C2 C1 C6 N3 -178.3(12) . .
C12 C7 C8 C9 1.5(16) . .
N2 C7 C8 C9 177.4(9) . .
C7 C8 C9 C10 2.6(18) . .
C7 C8 C9 C13 179.1(11) . .
C8 C9 C10 C11 -5(2) . .
C13 C9 C10 C11 178.3(12) . .
C9 C10 C11 C12 4(2) . .
C8 C7 C12 O1 176.5(9) . .
N2 C7 C12 O1 0.6(16) . .
C8 C7 C12 C11 -3.0(16) . .
N2 C7 C12 C11 -178.8(9) . .
C10 C11 C12 O1 -179.0(11) . .
C10 C11 C12 C7 0.5(17) . .
C6 C5 N1 N2 0.3(12) . .
C4 C5 N1 N2 -178.8(11) . .
C5 N1 N2 N3 0.6(12) . .
C5 N1 N2 C7 -178.2(8) . .
C8 C7 N2 N1 -11.9(14) . .
C12 C7 N2 N1 164.1(10) . .
C8 C7 N2 N3 169.4(9) . .
C12 C7 N2 N3 -14.6(14) . .
N1 N2 N3 C6 -1.2(11) . .
C7 N2 N3 C6 177.5(9) . .
N1 N2 N3 Nb1 -179.2(6) . .
C7 N2 N3 Nb1 -0.5(12) . .
C5 C6 N3 N2 1.3(11) . .
C1 C6 N3 N2 -178.0(12) . .
C5 C6 N3 Nb1 179.2(7) . .
C1 C6 N3 Nb1 -0.1(18) . .
C7 C12 O1 Nb1 41.4(16) . .
C11 C12 O1 Nb1 -139.2(9) . .
O2 Nb1 O1 C12 136.2(10) . .
O2 Nb1 O1 C12 40.1(10) 11_666 .
Cl1 Nb1 O1 C12 -124.4(10) . .
Cl2 Nb1 O1 C12 -1.4(14) . .
N3 Nb1 O1 C12 -42.3(10) . .
O1 Nb1 O2 Nb1 -51.3(16) . 12_656
O2 Nb1 O2 Nb1 31.9(15) 11_666 12_656
Cl1 Nb1 O2 Nb1 -151.0(15) . 12_656
Cl2 Nb1 O2 Nb1 114.4(16) . 12_656
