# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yg_D1Ni
_database_code_depnum_ccdc_archive 'CCDC 2287511'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_yg_D1Ni             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         14 Note
RESPONSE: Due to weak reflections
;
# Added during the CSD deposition process: Tuesday 08 August 2023 01:36 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H33 N15 Ni, 2(Cl O4), C2 H6 O S'
_chemical_formula_sum            'C26 H39 Cl2 N15 Ni O9 S'
_chemical_formula_weight         867.39

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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1956(13)
_cell_length_b                   14.8446(14)
_cell_length_c                   14.8844(18)
_cell_angle_alpha                119.056(11)
_cell_angle_beta                 92.646(10)
_cell_angle_gamma                110.233(10)
_cell_volume                     1958.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6984
_cell_measurement_theta_min      3.1700
_cell_measurement_theta_max      25.9520

_exptl_crystal_description       'thick plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_F_000             900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    0.752
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.81374
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?



_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'80 images, ΔΦ 2.5° '
'80 images, ΔΦ 2.5° (2nd orientation)'
;
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30651
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.157
_diffrn_reflns_theta_max         26.158
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             7776
_reflns_number_gt                6846
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       MAR
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  
;
'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'
;




_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0791P)²+1.4386P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7776
_refine_ls_number_parameters     555
_refine_ls_number_restraints     156
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1462
_refine_ls_wR_factor_gt          0.1412
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.64752(3) 0.67308(3) 0.33829(3) 0.04000(12) Uani 1 1 d . . . . .
N2 N 0.7380(2) 0.66614(19) 0.21317(18) 0.0425(5) Uani 1 1 d . . . . .
C3 C 0.8537(3) 0.6829(2) 0.1897(2) 0.0450(6) Uani 1 1 d . . . . .
C4 C 0.8488(3) 0.6879(3) 0.0984(2) 0.0509(7) Uani 1 1 d . . . . .
H4 H 0.917465 0.698392 0.066329 0.061 Uiso 1 1 calc R U . . .
C5 C 0.7254(3) 0.6748(2) 0.0648(2) 0.0474(6) Uani 1 1 d . . . . .
N6 N 0.6597(2) 0.66115(19) 0.13555(17) 0.0428(5) Uani 1 1 d . . . . .
C7 C 0.9676(3) 0.6930(3) 0.2555(3) 0.0578(8) Uani 1 1 d . . . . .
H7A H 0.959521 0.721270 0.327174 0.087 Uiso 1 1 calc R U . . .
H7B H 1.048166 0.744540 0.255588 0.087 Uiso 1 1 calc R U . . .
H7C H 0.968417 0.619664 0.226283 0.087 Uiso 1 1 calc R U . . .
C8 C 0.6654(4) 0.6763(3) -0.0245(3) 0.0627(8) Uani 1 1 d . . . . .
H8A H 0.590003 0.605412 -0.070574 0.094 Uiso 1 1 calc R U . . .
H8B H 0.728768 0.687059 -0.063829 0.094 Uiso 1 1 calc R U . . .
H8C H 0.638484 0.737411 0.002731 0.094 Uiso 1 1 calc R U . . .
C9 C 0.5302(3) 0.6421(2) 0.1409(2) 0.0417(6) Uani 1 1 d . . . . .
N10 N 0.4957(2) 0.6396(2) 0.22546(18) 0.0452(5) Uani 1 1 d . . . . .
C11 C 0.3696(3) 0.6224(3) 0.2070(2) 0.0503(7) Uani 1 1 d . . . . .
H11 H 0.315030 0.616755 0.251033 0.060 Uiso 1 1 calc R U . . .
N12 N 0.3342(2) 0.6147(2) 0.11731(19) 0.0492(6) Uani 1 1 d . . . . .
N13 N 0.4377(2) 0.6274(2) 0.07171(19) 0.0496(6) Uani 1 1 d . . . . .
C14 C 0.2077(3) 0.6006(3) 0.0689(3) 0.0610(8) Uani 1 1 d . . . . .
H14A H 0.144662 0.584813 0.106773 0.092 Uiso 1 1 calc R U . . .
H14B H 0.177391 0.538591 -0.004082 0.092 Uiso 1 1 calc R U . . .
H14C H 0.217838 0.669126 0.072204 0.092 Uiso 1 1 calc R U . . .
N22 N 0.8209(2) 0.74507(18) 0.46057(18) 0.0412(5) Uani 1 1 d . . . . .
C23 C 0.8931(3) 0.7171(2) 0.5075(2) 0.0435(6) Uani 1 1 d . . . . .
C24 C 0.9807(3) 0.8140(3) 0.6034(2) 0.0501(7) Uani 1 1 d . . . . .
H24 H 1.041007 0.816070 0.650327 0.060 Uiso 1 1 calc R U . . .
C25 C 0.9613(3) 0.9043(2) 0.6152(2) 0.0473(6) Uani 1 1 d . . . . .
N26 N 0.8653(2) 0.86130(18) 0.52743(18) 0.0419(5) Uani 1 1 d . . . . .
C27 C 0.8785(3) 0.5986(3) 0.4596(3) 0.0555(7) Uani 1 1 d . . . . .
H27A H 0.789457 0.546742 0.417527 0.083 Uiso 1 1 calc R U . . .
H27B H 0.898556 0.586531 0.515211 0.083 Uiso 1 1 calc R U . . .
H27C H 0.937918 0.585907 0.415258 0.083 Uiso 1 1 calc R U . . .
C28 C 1.0234(3) 1.0265(3) 0.7006(3) 0.0650(9) Uani 1 1 d . . . . .
H28A H 1.068426 1.070359 0.671969 0.098 Uiso 1 1 calc R U . . .
H28B H 1.085389 1.038511 0.756435 0.098 Uiso 1 1 calc R U . . .
H28C H 0.956626 1.049891 0.728759 0.098 Uiso 1 1 calc R U . . .
C29 C 0.8059(2) 0.9130(2) 0.4959(2) 0.0408(5) Uani 1 1 d . . . . .
N30 N 0.7014(2) 0.84590(19) 0.41024(18) 0.0437(5) Uani 1 1 d . . . . .
C31 C 0.6678(3) 0.9208(2) 0.4044(2) 0.0493(6) Uani 1 1 d . . . . .
H31 H 0.597401 0.902650 0.353603 0.059 Uiso 1 1 calc R U . . .
N32 N 0.7489(2) 1.0244(2) 0.4811(2) 0.0523(6) Uani 1 1 d . . . . .
N33 N 0.8415(2) 1.0222(2) 0.5423(2) 0.0509(6) Uani 1 1 d . . . . .
C34 C 0.7434(4) 1.1316(3) 0.5098(4) 0.0706(10) Uani 1 1 d . . . . .
H34A H 0.678439 1.118607 0.455306 0.106 Uiso 1 1 calc R U . . .
H34B H 0.828088 1.184388 0.516862 0.106 Uiso 1 1 calc R U . . .
H34C H 0.720055 1.162266 0.576236 0.106 Uiso 1 1 calc R U . . .
N42 N 0.5762(2) 0.49938(19) 0.29361(18) 0.0437(5) Uani 1 1 d . . . . .
C43 C 0.5825(3) 0.4028(2) 0.2268(2) 0.0469(6) Uani 1 1 d . . . . .
C44 C 0.4870(3) 0.3124(2) 0.2264(2) 0.0518(7) Uani 1 1 d . . . . .
H44 H 0.472469 0.236487 0.185817 0.062 Uiso 1 1 calc R U . . .
C45 C 0.4186(3) 0.3565(2) 0.2967(2) 0.0484(6) Uani 1 1 d . . . . .
N46 N 0.4752(2) 0.47005(18) 0.33694(18) 0.0416(5) Uani 1 1 d . . . . .
C47 C 0.6822(3) 0.3983(3) 0.1636(3) 0.0608(8) Uani 1 1 d . . . . .
H47A H 0.713518 0.464855 0.159618 0.091 Uiso 1 1 calc R U . . .
H47B H 0.642416 0.331737 0.093104 0.091 Uiso 1 1 calc R U . . .
H47C H 0.754745 0.395497 0.197437 0.091 Uiso 1 1 calc R U . . .
C48 C 0.3048(3) 0.3009(3) 0.3269(3) 0.0608(8) Uani 1 1 d . . . . .
H48A H 0.328231 0.332129 0.402149 0.091 Uiso 1 1 calc R U . . .
H48B H 0.281156 0.220660 0.289099 0.091 Uiso 1 1 calc R U . . .
H48C H 0.231318 0.313734 0.309137 0.091 Uiso 1 1 calc R U . . .
C49 C 0.4498(3) 0.5590(2) 0.4137(2) 0.0416(6) Uani 1 1 d . . . . .
N50 N 0.5212(2) 0.66399(19) 0.43481(18) 0.0447(5) Uani 1 1 d . . . . .
C51 C 0.4720(3) 0.7259(2) 0.5082(2) 0.0468(6) Uani 1 1 d . . . . .
H51 H 0.498769 0.803737 0.539993 0.056 Uiso 1 1 calc R U . . .
N52 N 0.3802(3) 0.6609(2) 0.5289(2) 0.0496(6) Uani 1 1 d . . . . .
N53 N 0.3628(2) 0.5500(2) 0.4681(2) 0.0495(6) Uani 1 1 d . . . . .
C54 C 0.2929(4) 0.6904(3) 0.5972(3) 0.0643(9) Uani 1 1 d . . . . .
H54A H 0.322234 0.771368 0.637808 0.096 Uiso 1 1 calc R U . . .
H54B H 0.294593 0.664167 0.644626 0.096 Uiso 1 1 calc R U . . .
H54C H 0.204637 0.654966 0.553874 0.096 Uiso 1 1 calc R U . . .
Cl61 Cl 0.07446(8) 0.44913(8) 0.24755(8) 0.0664(2) Uani 1 1 d D U . . .
O62 O 0.1408(3) 0.5693(2) 0.3242(2) 0.0863(8) Uani 1 1 d D U . . .
O63 O -0.0029(4) 0.4310(3) 0.1575(3) 0.1106(11) Uani 1 1 d D U . . .
O64 O 0.1703(3) 0.4068(3) 0.2168(3) 0.0960(9) Uani 1 1 d D U . . .
O65 O -0.0078(4) 0.3949(3) 0.2914(3) 0.1200(13) Uani 1 1 d D U . . .
Cl71 Cl 0.6332(3) 0.0505(3) 0.7454(2) 0.0858(9) Uani 0.743(6) 1 d D U P A 1
O72 O 0.5749(5) 0.0050(4) 0.6379(4) 0.1058(17) Uani 0.743(6) 1 d D U P A 1
O73 O 0.7657(5) 0.1239(5) 0.7880(5) 0.139(2) Uani 0.743(6) 1 d D U P A 1
O74 O 0.5992(12) -0.0417(6) 0.7583(7) 0.222(5) Uani 0.743(6) 1 d D U P A 1
O75 O 0.5668(8) 0.1149(7) 0.8083(8) 0.215(5) Uani 0.743(6) 1 d D U P A 1
Cl7B Cl 0.6134(14) 0.0370(11) 0.7487(11) 0.147(6) Uani 0.257(6) 1 d D U P A 2
O72B O 0.6942(14) -0.0238(14) 0.7172(13) 0.126(5) Uani 0.257(6) 1 d D U P A 2
O73B O 0.629(2) 0.1012(19) 0.8576(11) 0.180(8) Uani 0.257(6) 1 d D U P A 2
O74B O 0.4822(14) -0.0448(18) 0.702(2) 0.219(10) Uani 0.257(6) 1 d D U P A 2
O75B O 0.634(2) 0.1103(19) 0.7103(18) 0.182(9) Uani 0.257(6) 1 d D U P A 2
S81 S 0.2175(4) 0.9877(3) 0.9906(3) 0.1860(14) Uani 0.779(4) 1 d D . P B 3
O82 O 0.1581(10) 0.9979(11) 0.9014(11) 0.223(4) Uani 0.779(4) 1 d D . P B 3
C83 C 0.275(2) 0.885(2) 0.913(3) 0.250(10) Uani 0.779(4) 1 d D . P B 3
H83A H 0.316113 0.868149 0.958247 0.376 Uiso 0.779(4) 1 calc R U P B 3
H83B H 0.202439 0.816447 0.858451 0.376 Uiso 0.779(4) 1 calc R U P B 3
H83C H 0.338436 0.913291 0.881794 0.376 Uiso 0.779(4) 1 calc R U P B 3
C84 C 0.082(2) 0.8835(13) 0.9942(15) 0.237(8) Uani 0.779(4) 1 d D . P B 3
H84A H 0.110101 0.871811 1.047950 0.355 Uiso 0.779(4) 1 calc R U P B 3
H84B H 0.013250 0.909188 1.010389 0.355 Uiso 0.779(4) 1 calc R U P B 3
H84C H 0.048739 0.813391 0.926122 0.355 Uiso 0.779(4) 1 calc R U P B 3
S81B S 0.1324(15) 0.9122(11) 0.9157(12) 0.1860(14) Uani 0.221(4) 1 d D . P B 4
O82B O 0.231(3) 1.033(3) 0.946(4) 0.223(4) Uani 0.221(4) 1 d D . P B 4
C83B C 0.249(6) 0.865(7) 0.939(10) 0.250(10) Uani 0.221(4) 1 d D . P B 4
H83D H 0.203224 0.789084 0.923428 0.376 Uiso 0.221(4) 1 calc R U P B 4
H83E H 0.307070 0.865719 0.893880 0.376 Uiso 0.221(4) 1 calc R U P B 4
H83F H 0.298520 0.914555 1.012151 0.376 Uiso 0.221(4) 1 calc R U P B 4
C84B C 0.096(9) 0.940(5) 1.040(4) 0.237(8) Uani 0.221(4) 1 d D . P B 4
H84D H 0.035396 0.870820 1.031525 0.355 Uiso 0.221(4) 1 calc R U P B 4
H84E H 0.176236 0.971112 1.092350 0.355 Uiso 0.221(4) 1 calc R U P B 4
H84F H 0.057885 0.993889 1.063195 0.355 Uiso 0.221(4) 1 calc R U P B 4

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
Ni1 0.03794(19) 0.0389(2) 0.0427(2) 0.02326(16) 0.00931(14) 0.01361(14)
N2 0.0395(11) 0.0438(12) 0.0447(12) 0.0239(10) 0.0105(9) 0.0178(10)
C3 0.0412(13) 0.0377(13) 0.0505(15) 0.0206(12) 0.0123(12) 0.0153(11)
C4 0.0482(15) 0.0501(16) 0.0539(16) 0.0275(14) 0.0226(13) 0.0199(13)
C5 0.0493(15) 0.0451(15) 0.0452(15) 0.0229(13) 0.0156(12) 0.0188(12)
N6 0.0411(11) 0.0470(13) 0.0399(11) 0.0232(10) 0.0107(9) 0.0182(10)
C7 0.0429(15) 0.067(2) 0.070(2) 0.0394(17) 0.0171(14) 0.0265(14)
C8 0.065(2) 0.079(2) 0.0530(18) 0.0401(17) 0.0225(15) 0.0323(18)
C9 0.0387(13) 0.0400(14) 0.0406(13) 0.0186(12) 0.0102(11) 0.0149(11)
N10 0.0396(11) 0.0492(13) 0.0455(12) 0.0264(11) 0.0122(10) 0.0154(10)
C11 0.0410(14) 0.0536(17) 0.0510(16) 0.0265(14) 0.0140(12) 0.0165(12)
N12 0.0400(12) 0.0548(14) 0.0473(13) 0.0236(11) 0.0108(10) 0.0201(11)
N13 0.0428(12) 0.0593(15) 0.0467(13) 0.0275(12) 0.0122(10) 0.0229(11)
C14 0.0440(15) 0.071(2) 0.0606(19) 0.0272(17) 0.0090(14) 0.0287(15)
N22 0.0410(11) 0.0385(11) 0.0470(12) 0.0251(10) 0.0109(9) 0.0163(9)
C23 0.0405(13) 0.0493(15) 0.0532(15) 0.0340(13) 0.0168(12) 0.0212(12)
C24 0.0438(14) 0.0541(17) 0.0568(17) 0.0336(15) 0.0069(13) 0.0200(13)
C25 0.0397(13) 0.0468(15) 0.0512(16) 0.0253(13) 0.0052(12) 0.0159(12)
N26 0.0395(11) 0.0377(11) 0.0468(12) 0.0229(10) 0.0071(9) 0.0145(9)
C27 0.0586(18) 0.0514(17) 0.070(2) 0.0373(16) 0.0181(15) 0.0292(14)
C28 0.0602(19) 0.0519(18) 0.0619(19) 0.0211(16) -0.0063(16) 0.0187(15)
C29 0.0379(13) 0.0416(14) 0.0473(14) 0.0266(12) 0.0113(11) 0.0170(11)
N30 0.0415(11) 0.0411(12) 0.0486(13) 0.0251(11) 0.0069(10) 0.0166(10)
C31 0.0460(15) 0.0497(16) 0.0584(17) 0.0338(15) 0.0099(13) 0.0197(13)
N32 0.0504(13) 0.0454(13) 0.0677(16) 0.0338(13) 0.0084(12) 0.0228(11)
N33 0.0460(13) 0.0404(12) 0.0643(15) 0.0286(12) 0.0048(11) 0.0165(10)
C34 0.068(2) 0.0501(18) 0.100(3) 0.042(2) 0.010(2) 0.0293(16)
N42 0.0425(11) 0.0435(12) 0.0459(12) 0.0246(11) 0.0141(10) 0.0177(10)
C43 0.0473(15) 0.0452(15) 0.0479(15) 0.0239(13) 0.0092(12) 0.0212(12)
C44 0.0599(17) 0.0390(14) 0.0531(16) 0.0220(13) 0.0118(14) 0.0215(13)
C45 0.0490(15) 0.0420(15) 0.0536(16) 0.0269(13) 0.0088(13) 0.0170(12)
N46 0.0425(11) 0.0394(11) 0.0448(12) 0.0243(10) 0.0139(9) 0.0163(9)
C47 0.0654(19) 0.0616(19) 0.0626(19) 0.0320(17) 0.0293(16) 0.0346(16)
C48 0.0597(18) 0.0519(18) 0.078(2) 0.0419(17) 0.0222(17) 0.0201(15)
C49 0.0409(13) 0.0429(14) 0.0439(14) 0.0259(12) 0.0092(11) 0.0169(11)
N50 0.0469(12) 0.0421(12) 0.0468(12) 0.0249(11) 0.0132(10) 0.0186(10)
C51 0.0525(15) 0.0451(15) 0.0479(15) 0.0257(13) 0.0156(12) 0.0243(13)
N52 0.0582(14) 0.0525(14) 0.0515(13) 0.0311(12) 0.0228(11) 0.0311(12)
N53 0.0542(14) 0.0492(13) 0.0573(14) 0.0334(12) 0.0237(11) 0.0260(11)
C54 0.077(2) 0.076(2) 0.071(2) 0.0469(19) 0.0419(18) 0.0502(19)
Cl61 0.0587(5) 0.0769(6) 0.0847(6) 0.0503(5) 0.0311(4) 0.0384(4)
O62 0.0826(18) 0.0722(17) 0.097(2) 0.0384(16) 0.0343(16) 0.0349(14)
O63 0.100(2) 0.120(3) 0.116(3) 0.066(2) 0.004(2) 0.050(2)
O64 0.091(2) 0.105(2) 0.114(2) 0.054(2) 0.0420(18) 0.0694(19)
O65 0.130(3) 0.110(3) 0.147(3) 0.086(3) 0.082(3) 0.046(2)
Cl71 0.0770(11) 0.0773(13) 0.0789(14) 0.0285(10) 0.0228(10) 0.0270(9)
O72 0.102(3) 0.094(3) 0.104(3) 0.049(3) 0.001(3) 0.032(3)
O73 0.094(3) 0.115(4) 0.135(5) 0.030(3) 0.010(3) 0.024(3)
O74 0.304(11) 0.135(5) 0.177(7) 0.108(5) -0.046(7) 0.017(6)
O75 0.161(7) 0.165(7) 0.199(7) 0.012(6) 0.077(6) 0.070(5)
Cl7B 0.163(8) 0.123(8) 0.136(7) 0.067(6) 0.014(6) 0.047(6)
O72B 0.114(9) 0.139(11) 0.132(11) 0.093(9) 0.038(8) 0.027(8)
O73B 0.216(18) 0.238(17) 0.142(9) 0.114(9) 0.044(9) 0.139(13)
O74B 0.144(10) 0.206(16) 0.242(16) 0.092(12) 0.060(12) 0.049(9)
O75B 0.204(17) 0.217(15) 0.184(15) 0.140(14) 0.070(13) 0.098(11)
S81 0.216(4) 0.123(2) 0.180(3) 0.066(2) 0.020(3) 0.056(2)
O82 0.218(10) 0.291(11) 0.312(13) 0.248(11) 0.073(9) 0.135(9)
C83 0.327(18) 0.211(15) 0.30(2) 0.137(12) 0.151(15) 0.201(15)
C84 0.221(13) 0.22(2) 0.30(2) 0.199(18) 0.041(18) 0.029(17)
S81B 0.216(4) 0.123(2) 0.180(3) 0.066(2) 0.020(3) 0.056(2)
O82B 0.218(10) 0.291(11) 0.312(13) 0.248(11) 0.073(9) 0.135(9)
C83B 0.327(18) 0.211(15) 0.30(2) 0.137(12) 0.151(15) 0.201(15)
C84B 0.221(13) 0.22(2) 0.30(2) 0.199(18) 0.041(18) 0.029(17)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N30 2.072(2) . ?
Ni1 N10 2.073(2) . ?
Ni1 N50 2.080(2) . ?
Ni1 N2 2.136(2) . ?
Ni1 N22 2.138(2) . ?
Ni1 N42 2.142(2) . ?
N2 C3 1.329(3) . ?
N2 N6 1.374(3) . ?
C3 C4 1.397(4) . ?
C3 C7 1.490(4) . ?
C4 C5 1.361(4) . ?
C4 H4 0.9300 . ?
C5 N6 1.366(4) . ?
C5 C8 1.476(4) . ?
N6 C9 1.392(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N13 1.306(4) . ?
C9 N10 1.348(3) . ?
N10 C11 1.334(4) . ?
C11 N12 1.313(4) . ?
C11 H11 0.9300 . ?
N12 N13 1.373(3) . ?
N12 C14 1.457(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N22 C23 1.332(3) . ?
N22 N26 1.381(3) . ?
C23 C24 1.403(4) . ?
C23 C27 1.484(4) . ?
C24 C25 1.362(4) . ?
C24 H24 0.9300 . ?
C25 N26 1.362(3) . ?
C25 C28 1.482(4) . ?
N26 C29 1.387(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N33 1.305(4) . ?
C29 N30 1.345(3) . ?
N30 C31 1.329(4) . ?
C31 N32 1.313(4) . ?
C31 H31 0.9300 . ?
N32 N33 1.367(3) . ?
N32 C34 1.459(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N42 C43 1.320(4) . ?
N42 N46 1.373(3) . ?
C43 C44 1.393(4) . ?
C43 C47 1.490(4) . ?
C44 C45 1.366(4) . ?
C44 H44 0.9300 . ?
C45 N46 1.359(4) . ?
C45 C48 1.481(4) . ?
N46 C49 1.398(4) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 N53 1.307(4) . ?
C49 N50 1.344(3) . ?
N50 C51 1.331(4) . ?
C51 N52 1.310(4) . ?
C51 H51 0.9300 . ?
N52 N53 1.372(3) . ?
N52 C54 1.461(4) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
Cl61 O65 1.405(3) . ?
Cl61 O64 1.410(3) . ?
Cl61 O63 1.414(3) . ?
Cl61 O62 1.437(3) . ?
Cl71 O73 1.384(5) . ?
Cl71 O74 1.398(6) . ?
Cl71 O72 1.412(5) . ?
Cl71 O75 1.424(6) . ?
Cl7B O73B 1.388(9) . ?
Cl7B O74B 1.404(9) . ?
Cl7B O75B 1.416(9) . ?
Cl7B O72B 1.430(8) . ?
S81 O82 1.552(8) . ?
S81 C83 1.77(2) . ?
S81 C84 1.779(15) . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
S81B O82B 1.561(13) . ?
S81B C83B 1.77(2) . ?
S81B C84B 1.789(17) . ?
C83B H83D 0.9600 . ?
C83B H83E 0.9600 . ?
C83B H83F 0.9600 . ?
C84B H84D 0.9600 . ?
C84B H84E 0.9600 . ?
C84B H84F 0.9600 . ?

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
_geom_angle_publ_flag
N30 Ni1 N10 90.08(9) . . ?
N30 Ni1 N50 90.89(9) . . ?
N10 Ni1 N50 90.32(9) . . ?
N30 Ni1 N2 91.94(9) . . ?
N10 Ni1 N2 77.36(9) . . ?
N50 Ni1 N2 167.36(9) . . ?
N30 Ni1 N22 77.68(8) . . ?
N10 Ni1 N22 167.12(9) . . ?
N50 Ni1 N22 93.84(9) . . ?
N2 Ni1 N22 98.81(8) . . ?
N30 Ni1 N42 167.54(9) . . ?
N10 Ni1 N42 93.53(9) . . ?
N50 Ni1 N42 77.18(9) . . ?
N2 Ni1 N42 100.49(9) . . ?
N22 Ni1 N42 99.28(8) . . ?
C3 N2 N6 104.6(2) . . ?
C3 N2 Ni1 141.82(19) . . ?
N6 N2 Ni1 112.43(15) . . ?
N2 C3 C4 110.6(2) . . ?
N2 C3 C7 121.6(3) . . ?
C4 C3 C7 127.8(3) . . ?
C5 C4 C3 107.5(3) . . ?
C5 C4 H4 126.2 . . ?
C3 C4 H4 126.2 . . ?
C4 C5 N6 105.2(3) . . ?
C4 C5 C8 131.5(3) . . ?
N6 C5 C8 123.3(3) . . ?
C5 N6 N2 112.2(2) . . ?
C5 N6 C9 131.5(2) . . ?
N2 N6 C9 116.3(2) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N13 C9 N10 116.1(2) . . ?
N13 C9 N6 126.2(2) . . ?
N10 C9 N6 117.7(2) . . ?
C11 N10 C9 102.3(2) . . ?
C11 N10 Ni1 142.3(2) . . ?
C9 N10 Ni1 115.13(17) . . ?
N12 C11 N10 109.7(3) . . ?
N12 C11 H11 125.1 . . ?
N10 C11 H11 125.1 . . ?
C11 N12 N13 110.8(2) . . ?
C11 N12 C14 128.3(3) . . ?
N13 N12 C14 120.8(2) . . ?
C9 N13 N12 101.0(2) . . ?
N12 C14 H14A 109.5 . . ?
N12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C23 N22 N26 104.7(2) . . ?
C23 N22 Ni1 142.19(19) . . ?
N26 N22 Ni1 111.97(15) . . ?
N22 C23 C24 110.3(2) . . ?
N22 C23 C27 122.2(3) . . ?
C24 C23 C27 127.5(3) . . ?
C25 C24 C23 107.4(3) . . ?
C25 C24 H24 126.3 . . ?
C23 C24 H24 126.3 . . ?
C24 C25 N26 105.6(3) . . ?
C24 C25 C28 131.7(3) . . ?
N26 C25 C28 122.7(3) . . ?
C25 N26 N22 111.9(2) . . ?
C25 N26 C29 131.6(2) . . ?
N22 N26 C29 116.5(2) . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N33 C29 N30 116.0(2) . . ?
N33 C29 N26 126.0(2) . . ?
N30 C29 N26 118.0(2) . . ?
C31 N30 C29 102.4(2) . . ?
C31 N30 Ni1 142.5(2) . . ?
C29 N30 Ni1 115.05(17) . . ?
N32 C31 N30 109.8(3) . . ?
N32 C31 H31 125.1 . . ?
N30 C31 H31 125.1 . . ?
C31 N32 N33 110.7(2) . . ?
C31 N32 C34 128.6(3) . . ?
N33 N32 C34 120.5(3) . . ?
C29 N33 N32 101.1(2) . . ?
N32 C34 H34A 109.5 . . ?
N32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C43 N42 N46 104.8(2) . . ?
C43 N42 Ni1 141.9(2) . . ?
N46 N42 Ni1 112.48(16) . . ?
N42 C43 C44 110.8(3) . . ?
N42 C43 C47 121.6(3) . . ?
C44 C43 C47 127.5(3) . . ?
C45 C44 C43 107.0(3) . . ?
C45 C44 H44 126.5 . . ?
C43 C44 H44 126.5 . . ?
N46 C45 C44 105.3(3) . . ?
N46 C45 C48 123.5(3) . . ?
C44 C45 C48 131.1(3) . . ?
C45 N46 N42 112.0(2) . . ?
C45 N46 C49 131.6(2) . . ?
N42 N46 C49 116.4(2) . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N53 C49 N50 116.3(2) . . ?
N53 C49 N46 126.0(2) . . ?
N50 C49 N46 117.7(2) . . ?
C51 N50 C49 102.2(2) . . ?
C51 N50 Ni1 142.2(2) . . ?
C49 N50 Ni1 115.18(18) . . ?
N52 C51 N50 109.9(3) . . ?
N52 C51 H51 125.1 . . ?
N50 C51 H51 125.1 . . ?
C51 N52 N53 110.9(2) . . ?
C51 N52 C54 128.7(3) . . ?
N53 N52 C54 120.1(3) . . ?
C49 N53 N52 100.7(2) . . ?
N52 C54 H54A 109.5 . . ?
N52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O65 Cl61 O64 111.1(2) . . ?
O65 Cl61 O63 109.3(3) . . ?
O64 Cl61 O63 109.2(2) . . ?
O65 Cl61 O62 110.1(2) . . ?
O64 Cl61 O62 108.51(19) . . ?
O63 Cl61 O62 108.6(2) . . ?
O73 Cl71 O74 113.5(6) . . ?
O73 Cl71 O72 118.8(4) . . ?
O74 Cl71 O72 106.4(4) . . ?
O73 Cl71 O75 105.0(5) . . ?
O74 Cl71 O75 105.0(7) . . ?
O72 Cl71 O75 107.1(5) . . ?
O73B Cl7B O74B 107.7(12) . . ?
O73B Cl7B O75B 107.7(11) . . ?
O74B Cl7B O75B 108.0(12) . . ?
O73B Cl7B O72B 115.2(11) . . ?
O74B Cl7B O72B 106.4(10) . . ?
O75B Cl7B O72B 111.6(11) . . ?
O82 S81 C83 98.8(11) . . ?
O82 S81 C84 103.9(9) . . ?
C83 S81 C84 90.7(10) . . ?
S81 C83 H83A 109.5 . . ?
S81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
S81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
S81 C84 H84A 109.5 . . ?
S81 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
S81 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
O82B S81B C83B 98.4(17) . . ?
O82B S81B C84B 101.4(15) . . ?
C83B S81B C84B 90.1(14) . . ?
S81B C83B H83D 109.5 . . ?
S81B C83B H83E 109.5 . . ?
H83D C83B H83E 109.5 . . ?
S81B C83B H83F 109.5 . . ?
H83D C83B H83F 109.5 . . ?
H83E C83B H83F 109.5 . . ?
S81B C84B H84D 109.5 . . ?
S81B C84B H84E 109.5 . . ?
H84D C84B H84E 109.5 . . ?
S81B C84B H84F 109.5 . . ?
H84D C84B H84F 109.5 . . ?
H84E C84B H84F 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N6 N2 C3 C4 -0.3(3) . . . . ?
Ni1 N2 C3 C4 -165.9(2) . . . . ?
N6 N2 C3 C7 -179.8(3) . . . . ?
Ni1 N2 C3 C7 14.5(5) . . . . ?
N2 C3 C4 C5 0.6(3) . . . . ?
C7 C3 C4 C5 -179.9(3) . . . . ?
C3 C4 C5 N6 -0.6(3) . . . . ?
C3 C4 C5 C8 177.9(3) . . . . ?
C4 C5 N6 N2 0.5(3) . . . . ?
C8 C5 N6 N2 -178.2(3) . . . . ?
C4 C5 N6 C9 -178.6(3) . . . . ?
C8 C5 N6 C9 2.8(5) . . . . ?
C3 N2 N6 C5 -0.1(3) . . . . ?
Ni1 N2 N6 C5 170.33(18) . . . . ?
C3 N2 N6 C9 179.1(2) . . . . ?
Ni1 N2 N6 C9 -10.5(3) . . . . ?
C5 N6 C9 N13 3.6(5) . . . . ?
N2 N6 C9 N13 -175.4(3) . . . . ?
C5 N6 C9 N10 -175.7(3) . . . . ?
N2 N6 C9 N10 5.3(3) . . . . ?
N13 C9 N10 C11 -0.5(3) . . . . ?
N6 C9 N10 C11 178.8(2) . . . . ?
N13 C9 N10 Ni1 -176.4(2) . . . . ?
N6 C9 N10 Ni1 3.0(3) . . . . ?
C9 N10 C11 N12 0.5(3) . . . . ?
Ni1 N10 C11 N12 174.4(2) . . . . ?
N10 C11 N12 N13 -0.4(3) . . . . ?
N10 C11 N12 C14 -177.4(3) . . . . ?
N10 C9 N13 N12 0.3(3) . . . . ?
N6 C9 N13 N12 -179.0(3) . . . . ?
C11 N12 N13 C9 0.1(3) . . . . ?
C14 N12 N13 C9 177.3(3) . . . . ?
N26 N22 C23 C24 0.8(3) . . . . ?
Ni1 N22 C23 C24 -165.1(2) . . . . ?
N26 N22 C23 C27 -178.6(3) . . . . ?
Ni1 N22 C23 C27 15.5(5) . . . . ?
N22 C23 C24 C25 -0.1(3) . . . . ?
C27 C23 C24 C25 179.2(3) . . . . ?
C23 C24 C25 N26 -0.6(3) . . . . ?
C23 C24 C25 C28 179.2(3) . . . . ?
C24 C25 N26 N22 1.2(3) . . . . ?
C28 C25 N26 N22 -178.7(3) . . . . ?
C24 C25 N26 C29 -179.6(3) . . . . ?
C28 C25 N26 C29 0.5(5) . . . . ?
C23 N22 N26 C25 -1.2(3) . . . . ?
Ni1 N22 N26 C25 169.52(18) . . . . ?
C23 N22 N26 C29 179.5(2) . . . . ?
Ni1 N22 N26 C29 -9.8(3) . . . . ?
C25 N26 C29 N33 7.5(5) . . . . ?
N22 N26 C29 N33 -173.3(3) . . . . ?
C25 N26 C29 N30 -172.0(3) . . . . ?
N22 N26 C29 N30 7.2(3) . . . . ?
N33 C29 N30 C31 -1.2(3) . . . . ?
N26 C29 N30 C31 178.4(2) . . . . ?
N33 C29 N30 Ni1 179.9(2) . . . . ?
N26 C29 N30 Ni1 -0.5(3) . . . . ?
C29 N30 C31 N32 0.7(3) . . . . ?
Ni1 N30 C31 N32 179.0(2) . . . . ?
N30 C31 N32 N33 -0.1(4) . . . . ?
N30 C31 N32 C34 -175.0(3) . . . . ?
N30 C29 N33 N32 1.1(3) . . . . ?
N26 C29 N33 N32 -178.4(3) . . . . ?
C31 N32 N33 C29 -0.6(3) . . . . ?
C34 N32 N33 C29 174.8(3) . . . . ?
N46 N42 C43 C44 0.3(3) . . . . ?
Ni1 N42 C43 C44 -167.9(2) . . . . ?
N46 N42 C43 C47 -179.4(3) . . . . ?
Ni1 N42 C43 C47 12.4(5) . . . . ?
N42 C43 C44 C45 0.1(3) . . . . ?
C47 C43 C44 C45 179.7(3) . . . . ?
C43 C44 C45 N46 -0.4(3) . . . . ?
C43 C44 C45 C48 178.3(3) . . . . ?
C44 C45 N46 N42 0.7(3) . . . . ?
C48 C45 N46 N42 -178.2(3) . . . . ?
C44 C45 N46 C49 -178.1(3) . . . . ?
C48 C45 N46 C49 3.1(5) . . . . ?
C43 N42 N46 C45 -0.6(3) . . . . ?
Ni1 N42 N46 C45 171.51(18) . . . . ?
C43 N42 N46 C49 178.3(2) . . . . ?
Ni1 N42 N46 C49 -9.5(3) . . . . ?
C45 N46 C49 N53 2.3(5) . . . . ?
N42 N46 C49 N53 -176.5(3) . . . . ?
C45 N46 C49 N50 -178.0(3) . . . . ?
N42 N46 C49 N50 3.2(3) . . . . ?
N53 C49 N50 C51 -1.1(3) . . . . ?
N46 C49 N50 C51 179.2(2) . . . . ?
N53 C49 N50 Ni1 -175.18(19) . . . . ?
N46 C49 N50 Ni1 5.1(3) . . . . ?
C49 N50 C51 N52 1.0(3) . . . . ?
Ni1 N50 C51 N52 172.2(2) . . . . ?
N50 C51 N52 N53 -0.7(3) . . . . ?
N50 C51 N52 C54 -174.5(3) . . . . ?
N50 C49 N53 N52 0.7(3) . . . . ?
N46 C49 N53 N52 -179.6(2) . . . . ?
C51 N52 N53 C49 0.0(3) . . . . ?
C54 N52 N53 C49 174.4(3) . . . . ?

_refine_diff_density_max         0.514
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.060

_shelx_res_file                  
;
TITL ALL in P-1
    yg_D1Ni.res
    created by SHELXL-2018/3 at 13:46:37 on 20-Apr-2021
CELL 0.71073  11.195561  14.844587  14.884388 119.0563  92.6459 110.2334
ZERR    2.00   0.001324   0.001411   0.001756   0.0110   0.0096   0.0097
LATT 1
SFAC C  H  N  O  Cl Ni S
UNIT 52  78 30 18 4 2 2
L.S. 20 0 6
BOND $H
FMAP 2
ACTA
ABIN
OMIT     1   0   1
OMIT     0  -2   1
OMIT     0   1   1
ISOR 0.01 Cl61 > O65
DELU 0.01 Cl61 > O65

ISOR 0.01 Cl71 > O75
DELU 0.01 Cl71 > O75
ISOR 0.01 Cl7B > O75B
DELU 0.01 Cl7B > O75B
LIST 4
TEMP 20
EADP S81 S81B
EADP O82 O82B
EADP C83 C83B
EADP C84 C84B
CONF
PLAN 50
WGHT    0.079100    1.438600
FVAR       1.55628   0.74315   0.77887
NI1   6    0.647521    0.673084    0.338287    11.00000    0.03794    0.03886 =
         0.04267    0.02326    0.00931    0.01361
N2    3    0.737975    0.666137    0.213168    11.00000    0.03952    0.04375 =
         0.04466    0.02390    0.01046    0.01782
C3    1    0.853670    0.682876    0.189674    11.00000    0.04120    0.03773 =
         0.05048    0.02056    0.01232    0.01531
C4    1    0.848846    0.687943    0.098368    11.00000    0.04823    0.05009 =
         0.05395    0.02745    0.02261    0.01986
AFIX  43
H4    2    0.917465    0.698392    0.066329    11.00000   -1.20000
AFIX   0
C5    1    0.725413    0.674798    0.064843    11.00000    0.04934    0.04509 =
         0.04518    0.02291    0.01563    0.01883
N6    3    0.659667    0.661153    0.135551    11.00000    0.04114    0.04703 =
         0.03985    0.02320    0.01067    0.01819
C7    1    0.967566    0.692986    0.255533    11.00000    0.04290    0.06734 =
         0.07027    0.03940    0.01707    0.02648
AFIX 137
H7A   2    0.959521    0.721270    0.327174    11.00000   -1.50000
H7B   2    1.048166    0.744540    0.255588    11.00000   -1.50000
H7C   2    0.968417    0.619664    0.226283    11.00000   -1.50000
AFIX   0
C8    1    0.665428    0.676301   -0.024512    11.00000    0.06546    0.07907 =
         0.05300    0.04015    0.02254    0.03227
AFIX 137
H8A   2    0.590003    0.605412   -0.070574    11.00000   -1.50000
H8B   2    0.728768    0.687059   -0.063829    11.00000   -1.50000
H8C   2    0.638484    0.737411    0.002731    11.00000   -1.50000
AFIX   0
C9    1    0.530155    0.642137    0.140857    11.00000    0.03874    0.03996 =
         0.04060    0.01859    0.01021    0.01492
N10   3    0.495689    0.639552    0.225455    11.00000    0.03963    0.04918 =
         0.04549    0.02642    0.01219    0.01544
C11   1    0.369615    0.622399    0.207001    11.00000    0.04103    0.05359 =
         0.05099    0.02649    0.01404    0.01653
AFIX  43
H11   2    0.315030    0.616755    0.251033    11.00000   -1.20000
AFIX   0
N12   3    0.334238    0.614688    0.117307    11.00000    0.03996    0.05484 =
         0.04733    0.02357    0.01081    0.02011
N13   3    0.437714    0.627424    0.071713    11.00000    0.04277    0.05935 =
         0.04674    0.02747    0.01216    0.02293
C14   1    0.207747    0.600604    0.068925    11.00000    0.04397    0.07074 =
         0.06058    0.02719    0.00902    0.02871
AFIX 137
H14A  2    0.144662    0.584813    0.106773    11.00000   -1.50000
H14B  2    0.177391    0.538591   -0.004082    11.00000   -1.50000
H14C  2    0.217838    0.669126    0.072204    11.00000   -1.50000
AFIX   0
N22   3    0.820906    0.745068    0.460565    11.00000    0.04101    0.03846 =
         0.04698    0.02512    0.01089    0.01628
C23   1    0.893079    0.717122    0.507483    11.00000    0.04048    0.04929 =
         0.05320    0.03404    0.01676    0.02122
C24   1    0.980717    0.813979    0.603423    11.00000    0.04377    0.05414 =
         0.05682    0.03364    0.00692    0.01997
AFIX  43
H24   2    1.041007    0.816070    0.650327    11.00000   -1.20000
AFIX   0
C25   1    0.961251    0.904343    0.615217    11.00000    0.03967    0.04679 =
         0.05118    0.02533    0.00517    0.01595
N26   3    0.865282    0.861296    0.527433    11.00000    0.03954    0.03769 =
         0.04678    0.02290    0.00706    0.01449
C27   1    0.878463    0.598616    0.459648    11.00000    0.05859    0.05141 =
         0.06956    0.03727    0.01809    0.02919
AFIX 137
H27A  2    0.789457    0.546742    0.417527    11.00000   -1.50000
H27B  2    0.898556    0.586531    0.515211    11.00000   -1.50000
H27C  2    0.937918    0.585907    0.415258    11.00000   -1.50000
AFIX   0
C28   1    1.023393    1.026533    0.700613    11.00000    0.06017    0.05193 =
         0.06191    0.02114   -0.00632    0.01865
AFIX 137
H28A  2    1.068426    1.070359    0.671969    11.00000   -1.50000
H28B  2    1.085389    1.038511    0.756435    11.00000   -1.50000
H28C  2    0.956626    1.049891    0.728759    11.00000   -1.50000
AFIX   0
C29   1    0.805914    0.912999    0.495898    11.00000    0.03786    0.04155 =
         0.04729    0.02657    0.01134    0.01696
N30   3    0.701357    0.845897    0.410240    11.00000    0.04145    0.04110 =
         0.04864    0.02513    0.00689    0.01658
C31   1    0.667773    0.920814    0.404388    11.00000    0.04598    0.04968 =
         0.05839    0.03382    0.00991    0.01973
AFIX  43
H31   2    0.597401    0.902650    0.353603    11.00000   -1.20000
AFIX   0
N32   3    0.748893    1.024367    0.481099    11.00000    0.05039    0.04545 =
         0.06771    0.03381    0.00837    0.02276
N33   3    0.841481    1.022195    0.542294    11.00000    0.04600    0.04039 =
         0.06427    0.02856    0.00475    0.01648
C34   1    0.743399    1.131572    0.509832    11.00000    0.06795    0.05012 =
         0.09980    0.04236    0.00963    0.02925
AFIX 137
H34A  2    0.678439    1.118607    0.455306    11.00000   -1.50000
H34B  2    0.828088    1.184388    0.516862    11.00000   -1.50000
H34C  2    0.720055    1.162266    0.576236    11.00000   -1.50000
AFIX   0
N42   3    0.576180    0.499376    0.293608    11.00000    0.04246    0.04348 =
         0.04590    0.02456    0.01408    0.01775
C43   1    0.582549    0.402775    0.226807    11.00000    0.04730    0.04517 =
         0.04794    0.02385    0.00924    0.02117
C44   1    0.486964    0.312426    0.226353    11.00000    0.05985    0.03902 =
         0.05312    0.02204    0.01182    0.02154
AFIX  43
H44   2    0.472469    0.236487    0.185817    11.00000   -1.20000
AFIX   0
C45   1    0.418599    0.356498    0.296701    11.00000    0.04905    0.04198 =
         0.05358    0.02691    0.00878    0.01698
N46   3    0.475159    0.470047    0.336936    11.00000    0.04254    0.03935 =
         0.04482    0.02428    0.01390    0.01630
C47   1    0.682166    0.398320    0.163623    11.00000    0.06537    0.06162 =
         0.06256    0.03199    0.02933    0.03459
AFIX 137
H47A  2    0.713518    0.464855    0.159618    11.00000   -1.50000
H47B  2    0.642416    0.331737    0.093104    11.00000   -1.50000
H47C  2    0.754745    0.395497    0.197437    11.00000   -1.50000
AFIX   0
C48   1    0.304819    0.300863    0.326930    11.00000    0.05970    0.05190 =
         0.07824    0.04186    0.02215    0.02009
AFIX 137
H48A  2    0.328231    0.332129    0.402149    11.00000   -1.50000
H48B  2    0.281156    0.220660    0.289099    11.00000   -1.50000
H48C  2    0.231318    0.313734    0.309137    11.00000   -1.50000
AFIX   0
C49   1    0.449821    0.558979    0.413729    11.00000    0.04093    0.04286 =
         0.04391    0.02594    0.00924    0.01689
N50   3    0.521206    0.663990    0.434810    11.00000    0.04686    0.04211 =
         0.04676    0.02490    0.01320    0.01858
C51   1    0.471988    0.725906    0.508195    11.00000    0.05254    0.04508 =
         0.04793    0.02567    0.01563    0.02431
AFIX  43
H51   2    0.498769    0.803737    0.539993    11.00000   -1.20000
AFIX   0
N52   3    0.380229    0.660878    0.528940    11.00000    0.05823    0.05254 =
         0.05146    0.03113    0.02281    0.03110
N53   3    0.362828    0.549993    0.468059    11.00000    0.05417    0.04918 =
         0.05730    0.03344    0.02367    0.02596
C54   1    0.292944    0.690372    0.597157    11.00000    0.07731    0.07607 =
         0.07062    0.04691    0.04188    0.05017
AFIX 137
H54A  2    0.322234    0.771368    0.637808    11.00000   -1.50000
H54B  2    0.294593    0.664167    0.644626    11.00000   -1.50000
H54C  2    0.204637    0.654966    0.553874    11.00000   -1.50000
AFIX   0
CL61  5    0.074457    0.449126    0.247548    11.00000    0.05873    0.07691 =
         0.08475    0.05031    0.03107    0.03836
O62   4    0.140790    0.569331    0.324235    11.00000    0.08257    0.07223 =
         0.09748    0.03843    0.03430    0.03490
O63   4   -0.002872    0.430977    0.157481    11.00000    0.10043    0.11998 =
         0.11552    0.06558    0.00435    0.04980
O64   4    0.170292    0.406823    0.216847    11.00000    0.09120    0.10508 =
         0.11360    0.05375    0.04197    0.06938
O65   4   -0.007764    0.394903    0.291381    11.00000    0.13008    0.10983 =
         0.14695    0.08628    0.08151    0.04645

PART 1
SAME 0.01 Cl61 > O65
CL71  5    0.633185    0.050477    0.745419    21.00000    0.07695    0.07732 =
         0.07885    0.02846    0.02282    0.02703
O72   4    0.574889    0.005034    0.637904    21.00000    0.10164    0.09406 =
         0.10398    0.04933    0.00069    0.03160
O73   4    0.765724    0.123923    0.787986    21.00000    0.09366    0.11515 =
         0.13463    0.03043    0.01002    0.02407
O74   4    0.599222   -0.041694    0.758307    21.00000    0.30429    0.13462 =
         0.17699    0.10781   -0.04605    0.01743
O75   4    0.566796    0.114879    0.808274    21.00000    0.16087    0.16542 =
         0.19894    0.01216    0.07723    0.06974

PART 2
SAME 0.01 Cl61 > O65
CL7B  5    0.613430    0.037042    0.748674   -21.00000    0.16262    0.12264 =
         0.13582    0.06731    0.01426    0.04692
O72B  4    0.694157   -0.023814    0.717249   -21.00000    0.11357    0.13948 =
         0.13183    0.09338    0.03818    0.02748
O73B  4    0.628647    0.101171    0.857603   -21.00000    0.21637    0.23796 =
         0.14236    0.11359    0.04394    0.13863
O74B  4    0.482160   -0.044835    0.701601   -21.00000    0.14427    0.20565 =
         0.24247    0.09191    0.05956    0.04886
O75B  4    0.634353    0.110335    0.710283   -21.00000    0.20415    0.21711 =
         0.18436    0.14011    0.07017    0.09843

PART 3
S81   7    0.217458    0.987717    0.990593    31.00000    0.21628    0.12281 =
         0.17952    0.06636    0.02028    0.05640
O82   4    0.158116    0.997863    0.901433    31.00000    0.21848    0.29111 =
         0.31219    0.24841    0.07341    0.13523
C83   1    0.275208    0.884626    0.913461    31.00000    0.32704    0.21102 =
         0.30414    0.13651    0.15071    0.20112
AFIX  33
H83A  2    0.316113    0.868149    0.958247    31.00000   -1.50000
H83B  2    0.202439    0.816447    0.858451    31.00000   -1.50000
H83C  2    0.338436    0.913291    0.881794    31.00000   -1.50000
AFIX   0
C84   1    0.081770    0.883536    0.994176    31.00000    0.22086    0.21846 =
         0.29547    0.19907    0.04119    0.02862
AFIX  33
H84A  2    0.110101    0.871811    1.047950    31.00000   -1.50000
H84B  2    0.013250    0.909188    1.010389    31.00000   -1.50000
H84C  2    0.048739    0.813391    0.926122    31.00000   -1.50000
AFIX   0
PART 4
SAME 0.01 S81 > C84
S81B  7    0.132412    0.912211    0.915725   -31.00000    0.21628    0.12281 =
         0.17952    0.06636    0.02028    0.05640
O82B  4    0.230712    1.033277    0.946393   -31.00000    0.21848    0.29111 =
         0.31219    0.24841    0.07341    0.13523
C83B  1    0.248581    0.864997    0.938950   -31.00000    0.32704    0.21102 =
         0.30414    0.13651    0.15071    0.20112
AFIX  33
H83D  2    0.203224    0.789084    0.923428   -31.00000   -1.50000
H83E  2    0.307070    0.865719    0.893880   -31.00000   -1.50000
H83F  2    0.298520    0.914555    1.012151   -31.00000   -1.50000
AFIX   0
C84B  1    0.096298    0.940257    1.040111   -31.00000    0.22086    0.21846 =
         0.29547    0.19907    0.04119    0.02862
AFIX  33
H84D  2    0.035396    0.870820    1.031525   -31.00000   -1.50000
H84E  2    0.176236    0.971112    1.092350   -31.00000   -1.50000
H84F  2    0.057885    0.993889    1.063195   -31.00000   -1.50000
PART 5

AFIX   0
HKLF 4




REM  ALL in P-1
REM wR2 = 0.1462, GooF = S = 1.046, Restrained GooF = 1.066 for all data
REM R1 = 0.0514 for 6846 Fo > 4sig(Fo) and 0.0584 for all 7776 data
REM 555 parameters refined using 156 restraints

END

WGHT      0.0796      1.4552

REM Highest difference peak  0.514,  deepest hole -0.594,  1-sigma level  0.060
Q1    1   0.6991  0.6440  0.3186  11.00000  0.05    0.51
Q2    1   0.5784  0.0375  0.8263  11.00000  0.05    0.45
Q3    1   0.6536 -0.0136  0.6577  11.00000  0.05    0.45
Q4    1   0.7411  0.1473  0.7440  11.00000  0.05    0.40
Q5    1   0.6790  0.1230  0.8030  11.00000  0.05    0.39
Q6    1   0.2070  0.8964  0.8807  11.00000  0.05    0.38
Q7    1   0.2317  0.9109  0.7957  11.00000  0.05    0.38
Q8    1   0.7431  0.0505  0.7603  11.00000  0.05    0.37
Q9    1   0.3609  0.9831  0.8014  11.00000  0.05    0.36
Q10   1   0.2848  1.0151  0.8400  11.00000  0.05    0.35
Q11   1   0.3984 -0.0008  0.7702  11.00000  0.05    0.33
Q12   1   0.6065  0.1419  0.7506  11.00000  0.05    0.32
Q13   1   0.5276 -0.0403  0.7536  11.00000  0.05    0.29
Q14   1   0.6493  0.0122  0.7471  11.00000  0.05    0.28
Q15   1   0.3638  1.0004  0.9905  11.00000  0.05    0.28
Q16   1   0.0782  0.9720  0.9613  11.00000  0.05    0.27
Q17   1   0.0000  1.0000  1.0000  10.50000  0.05    0.26
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  13  -2  -2 352.993 42.2518   1
 -13   2   2 293.445 29.5135   1
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  13  -2  -1 53.8917 29.4135   1
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  13  -2   0 53.3453 30.2312   1
 -13   2   0 71.6909 19.7642   1
 -13   2   0 46.5855 27.2991   1
 -13   2   0 57.6504 18.0106   1
  13  -2   1 100.684 34.6776   1
 -13   2  -1 118.203 34.2699   1
  13  -1  -6 35.1801 22.4606   1
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  13  -1  -6 46.9817 26.1435   1
 -13   1   6 9.10364 14.2745   1
 -13   1   5 115.968 20.7309   1
 -13   1   5 83.1210 19.4994   1
  13  -1  -5 87.6652 26.0412   1
 -13   1   5 80.1472 40.0190   1
  13  -1  -5 60.0092 19.8202   1
 -13   1   4 116.401 21.0620   1
  13  -1  -4 146.579 30.5356   1
 -13   1   4 106.505 20.1920   1
 -13   1   4 110.812 40.2363   1
 -13   1   3 16.5233 15.5539   1
  13  -1  -3 28.6931 22.6028   1
 -13   1   3 7.74129 16.7980   1
 -13   1   3 41.6572 35.2678   1
  13  -1  -2 149.134 34.2303   1
 -13   1   2 157.605 23.3307   1
 -13   1   2 165.403 23.2752   1
 -13   1   2 183.457 38.4631   1
  13  -1  -1 77.9787 31.0805   1
 -13   1   1 100.625 20.0587   1
 -13   1   1 108.306 21.6258   1
 -13   1   1 99.7818 33.5593   1
 -13   0   5 22.7017 37.4201   1
  13   0  -4 118.986 33.8276   1
 -13   0   4 120.698 43.4122   1
   0   0   0    0.00    0.00   0
TITL ALL in P-1
REM P-1 (#2 in standard setting)
CELL 0.71073  11.195561  14.844587  14.884388 119.0563  92.6459 110.2334
ZERR    2.00   0.001324   0.001411   0.001756   0.0110   0.0096   0.0097
LATT  1
SFAC C H N O Cl Ni
UNIT 64.00 40.00 16.00 16.00 2.00 2.00
TREF
HKLF 4
END
;
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    8   -4   13     -0.05      0.00
  -11   -3   13     -0.15      0.00
    7   -3   13      0.05      0.00
  -11   -2   13     -0.17      0.00
    7   -2   13      0.03      0.00
  -11   -1   13     -0.10      0.00
    6   -1   13     -0.01      0.00
  -11    0   13     -0.02      0.00
    5    0   13     -0.08      0.00
  -11    1   13      0.00      0.00
  -10    1   13      0.00      0.00
    4    1   13      0.14      0.00
  -10    2   13     -0.01      0.00
    3    2   13      0.01      0.00
  -10    3   13      0.04      0.00
   -9    3   13      0.05      0.00
    2    3   13     -0.07      0.00
   -9    4   13     -0.02      0.00
   -8    4   13      0.00      0.00
    0    4   13     -0.06      0.00
    1    4   13     -0.01      0.00
   -8    5   13      0.01      0.00
   -7    5   13      0.00      0.00
   -6    5   13     -0.02      0.00
   -3    5   13     -0.15      0.00
   -2    5   13      0.08      0.00
   -1    5   13      0.10      0.00
   -7    6   13      0.05      0.00
   -6    6   13     -0.08      0.00
   -5    6   13      0.09      0.00
   -4    6   13      0.02      0.00
   -3    6   13     -0.14      0.00
    1  -18   14      0.08      0.00
    2  -18   14     -0.19      0.00
    3  -18   14      0.04      0.00
    4  -18   14      0.14      0.00
    5  -18   14     -0.05      0.00
    6  -18   14     -0.15      0.00
   -1  -17   14     -0.19      0.00
    0  -17   14      0.18      0.00
    1  -17   14      0.07      0.00
    5  -17   14     -0.06      0.00
    6  -17   14     -0.11      0.00
    7  -17   14      0.08      0.00
   -2  -16   14     -0.06      0.00
   -1  -16   14     -0.20      0.00
    7  -16   14     -0.04      0.00
    8  -16   14      0.02      0.00
   -4  -15   14      0.01      0.00
   -3  -15   14      0.18      0.00
    8  -15   14      0.04      0.00
    9  -15   14      0.18      0.00
   -5  -14   14     -0.15      0.00
   -4  -14   14      0.00      0.00
    9  -14   14      0.23      0.00
   -6  -13   14      0.00      0.00
   -5  -13   14     -0.13      0.00
    9  -13   14      0.27      0.00
   -6  -12   14     -0.01      0.00
    9  -12   14      0.23      0.00
   -7  -11   14      0.07      0.00
    9  -11   14      0.13      0.00
   -8  -10   14      0.02      0.00
    9  -10   14      0.03      0.00
   -8   -9   14      0.01      0.00
    9   -9   14     -0.01      0.00
   -9   -8   14      0.03      0.00
    9   -8   14      0.00      0.00
   -9   -7   14      0.03      0.00
    8   -7   14     -0.03      0.00
   -9   -6   14      0.06      0.00
    8   -6   14     -0.04      0.00
  -10   -5   14     -0.12      0.00
    7   -5   14      0.01      0.00
  -10   -4   14     -0.18      0.00
    7   -4   14      0.02      0.00
  -10   -3   14     -0.16      0.00
    6   -3   14     -0.03      0.00
  -10   -2   14     -0.10      0.00
    6   -2   14      0.00      0.00
  -10   -1   14     -0.06      0.00
    5   -1   14      0.00      0.00
  -10    0   14     -0.07      0.00
    4    0   14      0.01      0.00
  -10    1   14     -0.09      0.00
   -9    1   14      0.04      0.00
    3    1   14     -0.07      0.00
   -9    2   14      0.02      0.00
    1    2   14     -0.01      0.00
    2    2   14      0.04      0.00
   -9    3   14      0.02      0.00
   -8    3   14      0.07      0.00
   -7    3   14     -0.09      0.00
   -1    3   14      0.14      0.00
    0    3   14     -0.04      0.00
    1    3   14     -0.03      0.00
   -8    4   14      0.01      0.00
   -7    4   14     -0.02      0.00
   -6    4   14      0.02      0.00
   -5    4   14     -0.07      0.00
   -4    4   14      0.18      0.00
   -3    4   14     -0.12      0.00
   -2    4   14     -0.08      0.00
   -1    4   14      0.14      0.00
    3  -18   15     -0.16      0.00
    4  -18   15      0.05      0.00
    0  -17   15     -0.09      0.00
    1  -17   15      0.19      0.00
    2  -17   15     -0.01      0.00
    3  -17   15     -0.15      0.00
    4  -17   15      0.06      0.00
    5  -17   15      0.11      0.00
    6  -17   15     -0.09      0.00
   -2  -16   15      0.18      0.00
   -1  -16   15     -0.18      0.00
    0  -16   15     -0.04      0.00
    6  -16   15      0.01      0.00
    7  -16   15     -0.02      0.00
   -3  -15   15      0.07      0.00
   -2  -15   15      0.15      0.00
    7  -15   15     -0.01      0.00
    8  -15   15     -0.17      0.00
   -4  -14   15     -0.17      0.00
    7  -14   15      0.01      0.00
    8  -14   15     -0.25      0.00
   -5  -13   15      0.00      0.00
    8  -13   15     -0.29      0.00
   -6  -12   15      0.11      0.00
    8  -12   15     -0.24      0.00
   -7  -11   15      0.00      0.00
   -6  -11   15      0.09      0.00
    8  -11   15     -0.13      0.00
   -7  -10   15      0.00      0.00
    8  -10   15     -0.04      0.00
   -8   -9   15     -0.01      0.00
    8   -9   15     -0.01      0.00
   -8   -8   15      0.03      0.00
    8   -8   15     -0.03      0.00
   -9   -7   15     -0.04      0.00
   -8   -7   15      0.11      0.00
    7   -7   15      0.03      0.00
   -9   -6   15     -0.09      0.00
    7   -6   15      0.04      0.00
   -9   -5   15     -0.11      0.00
    6   -5   15      0.03      0.00
   -9   -4   15     -0.10      0.00
    6   -4   15      0.01      0.00
   -9   -3   15     -0.09      0.00
    5   -3   15     -0.02      0.00
   -9   -2   15     -0.08      0.00
    4   -2   15     -0.01      0.00
   -9   -1   15     -0.09      0.00
    3   -1   15      0.07      0.00
    4   -1   15      0.01      0.00
   -9    0   15     -0.11      0.00
   -8    0   15      0.08      0.00
    2    0   15      0.01      0.00
    3    0   15      0.05      0.00
   -8    1   15      0.09      0.00
   -7    1   15      0.12      0.00
    0    1   15      0.06      0.00
    1    1   15     -0.10      0.00
   -8    2   15      0.09      0.00
   -7    2   15      0.01      0.00
   -6    2   15     -0.06      0.00
   -5    2   15      0.00      0.00
   -3    2   15      0.08      0.00
   -2    2   15     -0.16      0.00
   -1    2   15      0.06      0.00
    0    2   15      0.09      0.00
   -6    3   15      0.07      0.00
   -5    3   15     -0.10      0.00
   -4    3   15      0.05      0.00
   -3    3   15      0.10      0.00
   -2    3   15     -0.16      0.00
    1  -17   16      0.01      0.00
    2  -17   16      0.14      0.00
    3  -17   16     -0.06      0.00
    4  -17   16     -0.11      0.00
   -1  -16   16      0.03      0.00
    0  -16   16     -0.09      0.00
    1  -16   16      0.00      0.00
    2  -16   16      0.09      0.00
    3  -16   16     -0.05      0.00
    4  -16   16     -0.04      0.00
    5  -16   16      0.01      0.00
    6  -16   16      0.02      0.00
   -2  -15   16      0.10      0.00
   -1  -15   16      0.01      0.00
    5  -15   16     -0.07      0.00
    6  -15   16      0.00      0.00
    7  -15   16      0.15      0.00
   -4  -14   16     -0.08      0.00
   -3  -14   16     -0.05      0.00
    6  -14   16     -0.03      0.00
    7  -14   16      0.25      0.00
   -4  -13   16     -0.05      0.00
    7  -13   16      0.30      0.00
   -5  -12   16      0.08      0.00
    7  -12   16      0.26      0.00
   -6  -11   16      0.03      0.00
   -5  -11   16      0.02      0.00
    7  -11   16      0.16      0.00
   -7  -10   16     -0.04      0.00
   -6  -10   16      0.00      0.00
    7  -10   16      0.07      0.00
   -7   -9   16      0.03      0.00
    7   -9   16      0.04      0.00
   -8   -8   16     -0.01      0.00
   -7   -8   16      0.10      0.00
    6   -8   16     -0.01      0.00
    7   -8   16      0.06      0.00
   -8   -7   16     -0.01      0.00
    6   -7   16     -0.06      0.00
   -8   -6   16     -0.03      0.00
    5   -6   16     -0.04      0.00
    6   -6   16     -0.07      0.00
   -8   -5   16     -0.05      0.00
    5   -5   16     -0.04      0.00
   -8   -4   16     -0.07      0.00
    4   -4   16      0.05      0.00
    5   -4   16     -0.02      0.00
   -8   -3   16     -0.09      0.00
    3   -3   16     -0.01      0.00
    4   -3   16      0.07      0.00
   -8   -2   16     -0.12      0.00
   -7   -2   16      0.23      0.00
    2   -2   16     -0.09      0.00
    3   -2   16     -0.02      0.00
   -8   -1   16     -0.17      0.00
   -7   -1   16      0.23      0.00
    1   -1   16      0.03      0.00
    2   -1   16     -0.10      0.00
   -7    0   16      0.22      0.00
   -6    0   16     -0.02      0.00
   -5    0   16     -0.12      0.00
   -2    0   16     -0.11      0.00
   -1    0   16     -0.08      0.00
    0    0   16      0.11      0.00
    1    0   16      0.05      0.00
   -6    1   16     -0.07      0.00
   -5    1   16     -0.01      0.00
   -4    1   16     -0.04      0.00
   -3    1   16      0.12      0.00
   -2    1   16     -0.07      0.00
   -1    1   16     -0.08      0.00
    1  -16   17     -0.05      0.00
    2  -16   17      0.04      0.00
    3  -16   17      0.03      0.00
    4  -16   17     -0.02      0.00
   -1  -15   17     -0.02      0.00
    0  -15   17      0.04      0.00
    1  -15   17     -0.01      0.00
    2  -15   17      0.00      0.00
    3  -15   17     -0.02      0.00
    4  -15   17      0.05      0.00
    5  -15   17      0.01      0.00
   -3  -14   17      0.01      0.00
   -2  -14   17     -0.04      0.00
   -1  -14   17     -0.06      0.00
    4  -14   17      0.12      0.00
    5  -14   17      0.05      0.00
    6  -14   17     -0.25      0.00
   -4  -13   17      0.02      0.00
   -3  -13   17      0.08      0.00
   -2  -13   17     -0.10      0.00
    5  -13   17      0.06      0.00
    6  -13   17     -0.31      0.00
   -4  -12   17      0.05      0.00
   -3  -12   17      0.09      0.00
    5  -12   17      0.01      0.00
    6  -12   17     -0.29      0.00
   -5  -11   17     -0.05      0.00
   -4  -11   17      0.05      0.00
    5  -11   17     -0.06      0.00
    6  -11   17     -0.21      0.00
   -6  -10   17     -0.01      0.00
   -5  -10   17     -0.05      0.00
    5  -10   17     -0.08      0.00
    6  -10   17     -0.12      0.00
   -6   -9   17      0.04      0.00
    5   -9   17     -0.04      0.00
    6   -9   17     -0.08      0.00
   -7   -8   17      0.03      0.00
   -6   -8   17      0.15      0.00
    5   -8   17      0.03      0.00
   -7   -7   17      0.01      0.00
   -6   -7   17      0.27      0.00
    4   -7   17      0.04      0.00
    5   -7   17      0.08      0.00
   -7   -6   17      0.00      0.00
   -6   -6   17      0.34      0.00
    4   -6   17      0.03      0.00
   -7   -5   17      0.00      0.00
   -6   -5   17      0.32      0.00
    3   -5   17     -0.06      0.00
    4   -5   17      0.03      0.00
   -7   -4   17     -0.04      0.00
   -6   -4   17      0.29      0.00
    2   -4   17      0.05      0.00
    3   -4   17     -0.08      0.00
   -7   -3   17     -0.10      0.00
   -6   -3   17      0.28      0.00
    1   -3   17      0.07      0.00
    2   -3   17      0.05      0.00
   -7   -2   17     -0.12      0.00
   -6   -2   17      0.26      0.00
   -5   -2   17     -0.01      0.00
   -4   -2   17     -0.20      0.00
   -3   -2   17      0.03      0.00
   -2   -2   17      0.18      0.00
   -1   -2   17     -0.13      0.00
    0   -2   17     -0.05      0.00
    1   -2   17      0.09      0.00
   -6   -1   17      0.20      0.00
   -5   -1   17     -0.03      0.00
   -4   -1   17     -0.15      0.00
   -3   -1   17      0.08      0.00
   -2   -1   17      0.10      0.00
   -1   -1   17     -0.11      0.00
    1  -15   18      0.01      0.00
    2  -15   18      0.03      0.00
   -1  -14   18     -0.06      0.00
    0  -14   18     -0.06      0.00
    1  -14   18      0.05      0.00
    2  -14   18      0.07      0.00
    3  -14   18     -0.11      0.00
    4  -14   18     -0.06      0.00
   -2  -13   18      0.06      0.00
   -1  -13   18     -0.06      0.00
    0  -13   18     -0.10      0.00
    1  -13   18      0.06      0.00
    2  -13   18      0.15      0.00
    3  -13   18     -0.19      0.00
    4  -13   18     -0.08      0.00
   -3  -12   18      0.07      0.00
   -2  -12   18      0.09      0.00
   -1  -12   18     -0.02      0.00
    0  -12   18     -0.18      0.00
    1  -12   18      0.07      0.00
    2  -12   18      0.24      0.00
    3  -12   18     -0.29      0.00
    4  -12   18     -0.05      0.00
   -4  -11   18     -0.05      0.00
   -3  -11   18     -0.01      0.00
   -2  -11   18      0.17      0.00
    3  -11   18     -0.35      0.00
    4  -11   18      0.01      0.00
   -5  -10   18      0.01      0.00
   -4  -10   18     -0.11      0.00
   -3  -10   18     -0.10      0.00
    3  -10   18     -0.33      0.00
    4  -10   18      0.04      0.00
   -5   -9   18      0.13      0.00
   -4   -9   18     -0.22      0.00
    3   -9   18     -0.22      0.00
    4   -9   18      0.01      0.00
   -5   -8   18      0.21      0.00
   -4   -8   18     -0.29      0.00
    2   -8   18      0.03      0.00
    3   -8   18     -0.11      0.00
    4   -8   18     -0.05      0.00
   -6   -7   18      0.13      0.00
   -5   -7   18      0.22      0.00
   -4   -7   18     -0.29      0.00
    1   -7   18      0.14      0.00
    2   -7   18      0.01      0.00
    3   -7   18     -0.03      0.00
   -6   -6   18      0.13      0.00
   -5   -6   18      0.21      0.00
   -4   -6   18     -0.21      0.00
    0   -6   18     -0.05      0.00
    1   -6   18      0.01      0.00
    2   -6   18      0.03      0.00
   -6   -5   18      0.06      0.00
   -5   -5   18      0.20      0.00
   -4   -5   18     -0.11      0.00
   -3   -5   18     -0.14      0.00
   -2   -5   18      0.09      0.00
   -1   -5   18      0.04      0.00
    0   -5   18     -0.02      0.00
    1   -5   18     -0.05      0.00
    2   -5   18      0.06      0.00
   -5   -4   18      0.21      0.00
   -4   -4   18     -0.03      0.00
   -3   -4   18     -0.18      0.00
   -2   -4   18      0.07      0.00
   -1   -4   18      0.08      0.00
    0   -4   18     -0.04      0.00
    1   -4   18     -0.06      0.00
   -5   -3   18      0.20      0.00
   -4   -3   18     -0.02      0.00
   -3   -3   18     -0.18      0.00
   -2   -3   18      0.10      0.00
   -1   -3   18      0.06      0.00
   -1  -12   19      0.14      0.00
    0  -12   19     -0.07      0.00
    1  -12   19     -0.23      0.00
    2  -12   19      0.25      0.00
   -2  -11   19      0.01      0.00
   -1  -11   19      0.24      0.00
    0  -11   19     -0.10      0.00
    1  -11   19     -0.28      0.00
    2  -11   19      0.32      0.00
   -3  -10   19     -0.21      0.00
   -2  -10   19     -0.03      0.00
   -1  -10   19      0.35      0.00
    0  -10   19     -0.17      0.00
    1  -10   19     -0.25      0.00
    2  -10   19      0.30      0.00
   -3   -9   19     -0.27      0.00
   -2   -9   19     -0.03      0.00
   -1   -9   19      0.38      0.00
    0   -9   19     -0.23      0.00
    1   -9   19     -0.15      0.00
    2   -9   19      0.21      0.00
   -3   -8   19     -0.29      0.00
   -2   -8   19      0.01      0.00
   -1   -8   19      0.30      0.00
    0   -8   19     -0.20      0.00
    1   -8   19     -0.06      0.00
   -3   -7   19     -0.25      0.00
   -2   -7   19      0.02      0.00
   -1   -7   19      0.16      0.00
    0   -7   19     -0.10      0.00
   -3   -6   19     -0.16      0.00
   -2   -6   19     -0.01      0.00
   -1   -6   19      0.07      0.00
    0    0    0      0.00      0.00
# SQUEEZE RESULTS (Version = 130720)
# 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  0.291  1.044  0.767        18         5 ' '
   2  0.486  0.136 -0.007        10         0 ' '
   3  0.513  0.864  0.007        10         0 ' '
   4  0.709  0.956  0.233        18         5 ' '
# 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    0    0     2.008
   -1    1    0     2.024
    0    1    0     1.731
    2    1    0     5.005
   -1    3    0     4.716
    0    3    0     5.199
    0   -4    1     6.220
    1   -3    1     4.188
    0   -2    1     2.934
    1   -2    1     2.912
   -1   -1    1     2.809
    0   -1    1     1.619
    1   -1    1     2.329
    2   -1    1     4.039
   -1    0    1     2.228
    0    0    1     1.621
    1    0    1     2.892
   -2    1    1     3.939
   -1    1    1     2.834
    0    1    1     2.938
   -1   -2    2     4.123
    2   -2    2     4.661
    0   -1    2     2.740
   -2    0    2     4.459
    0   -4    3     5.972
    2   -3    3     5.694
    0   -2    3     4.201
    2   -2    3     5.685
   -2   -1    3     5.433
    2   -1    3     6.185
   -2   -1    4     6.450
_platon_squeeze_void_probe_radius                  1.00
_platon_squeeze_details
)
TITL ALL in P-1
CELL   11.1956   14.8446   14.8844    119.06     92.65    110.23
SPGR P-1
# Solvent Accessible Volume =        57
# Electrons Found in S.A.V. =        10
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
Q101 0.704 0.029 0.245 !       2.14 eA-3
Q102 0.677 0.940 0.202 !       1.71 eA-3
Q103 0.423 0.974 0.167 !       0.66 eA-3
Q104 0.695 0.639 0.305 !       0.55 eA-3
Q105 0.344 0.013 0.344 !       0.51 eA-3
)
;
_shelx_fab_checksum              85798

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yg_D1Cu
_database_code_depnum_ccdc_archive 'CCDC 2287514'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT242_yg_D1Cu             
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        N21 Check
RESPONSE: Due to mild disorder
;
# Added during the CSD deposition process: Tuesday 08 August 2023 01:37 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H22 Cu N11 O3, N O3'
_chemical_formula_sum            'C16 H22 Cu N12 O6'
_chemical_formula_weight         541.99

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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.2108(11)
_cell_length_b                   14.0236(9)
_cell_length_c                   11.5087(9)
_cell_angle_alpha                90
_cell_angle_beta                 108.678(9)
_cell_angle_gamma                90
_cell_volume                     2325.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4964
_cell_measurement_theta_min      3.4040
_cell_measurement_theta_max      25.9660

_exptl_crystal_description       block
_exptl_crystal_colour            green-blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_F_000             1116
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    0.999
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.66582
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?



_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'72 images, ΔΦ 2.5° '
;


_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7610
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.455
_diffrn_reflns_theta_max         26.040
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             2272
_reflns_number_gt                2174
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       MAR
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_atom_sites_solution_primary     'dual space'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  
;
'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'
;




_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0791P)²+3.0548P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2272
_refine_ls_number_parameters     194
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1299
_refine_ls_wR_factor_gt          0.1284
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.500000 0.26724(3) 0.750000 0.0402(2) Uani 1 2 d S T P . .
N2 N 0.37974(16) 0.26119(18) 0.7927(2) 0.0478(6) Uani 1 1 d . . . . .
C3 C 0.3399(2) 0.3045(2) 0.8663(3) 0.0536(7) Uani 1 1 d . . . . .
C4 C 0.2453(2) 0.2791(3) 0.8310(3) 0.0597(8) Uani 1 1 d . . . . .
H4 H 0.202354 0.299781 0.867588 0.072 Uiso 1 1 calc R U . . .
C5 C 0.2283(2) 0.2189(2) 0.7337(3) 0.0554(8) Uani 1 1 d . . . . .
N6 N 0.31091(15) 0.20858(18) 0.7119(2) 0.0474(5) Uani 1 1 d . . . . .
C7 C 0.3924(3) 0.3681(3) 0.9686(4) 0.0758(10) Uani 1 1 d . . . . .
H7A H 0.405812 0.334499 1.045035 0.114 Uiso 1 1 calc R U . . .
H7B H 0.355867 0.423534 0.970284 0.114 Uiso 1 1 calc R U . . .
H7C H 0.449497 0.387168 0.956547 0.114 Uiso 1 1 calc R U . . .
C8 C 0.1410(2) 0.1700(3) 0.6597(4) 0.0742(10) Uani 1 1 d . . . . .
H8A H 0.145858 0.102976 0.677564 0.111 Uiso 1 1 calc R U . . .
H8B H 0.131599 0.179597 0.573963 0.111 Uiso 1 1 calc R U . . .
H8C H 0.089387 0.196042 0.680031 0.111 Uiso 1 1 calc R U . . .
C9 C 0.33581(19) 0.1589(2) 0.6223(2) 0.0481(6) Uani 1 1 d . . . . .
N10 N 0.42004(16) 0.17490(17) 0.6113(2) 0.0487(5) Uani 1 1 d . . . . .
C11 C 0.4212(3) 0.1171(2) 0.5205(3) 0.0631(8) Uani 1 1 d . . . . .
H11 H 0.470460 0.109905 0.489826 0.076 Uiso 1 1 calc R U . . .
N12 N 0.3409(2) 0.0713(2) 0.4805(3) 0.0725(8) Uani 1 1 d . . . . .
N13 N 0.2836(2) 0.0966(2) 0.5461(3) 0.0713(8) Uani 1 1 d . . . . .
C14 C 0.3111(4) -0.0010(4) 0.3836(5) 0.1163(19) Uani 1 1 d . . . . .
H14A H 0.348276 0.003894 0.330407 0.174 Uiso 1 1 calc R U . . .
H14B H 0.247063 0.009060 0.337128 0.174 Uiso 1 1 calc R U . . .
H14C H 0.318490 -0.063335 0.420041 0.174 Uiso 1 1 calc R U . . .
N21 N 0.500000 0.45687(16) 0.750000 0.0245(5) Uani 1 2 d DS TU P . .
O22 O 0.5590(6) 0.4366(4) 0.8408(7) 0.124(4) Uani 0.5 1 d D U P A -2
O23 O 0.4556(3) 0.3956(4) 0.6748(5) 0.0572(11) Uani 0.5 1 d D U P A -2
O24 O 0.4841(11) 0.5419(3) 0.7273(14) 0.095(3) Uani 0.5 1 d D U P A -2
N31 N 0.4883(9) 0.1031(4) 0.2459(10) 0.068(2) Uani 0.5 1 d D U P B -1
O32 O 0.5209(9) 0.1658(8) 0.3173(10) 0.145(5) Uani 0.5 1 d D U P B -1
O33 O 0.4505(8) 0.1169(8) 0.1393(8) 0.136(4) Uani 0.5 1 d D U P B -1
O34 O 0.4838(14) 0.0252(6) 0.2820(12) 0.195(6) Uani 0.5 1 d D U P B -1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cu1 0.0326(3) 0.0424(3) 0.0443(3) 0.000 0.01051(19) 0.000
N2 0.0357(12) 0.0571(14) 0.0494(13) -0.0061(10) 0.0121(10) -0.0033(9)
C3 0.0456(15) 0.0653(18) 0.0525(15) 0.0013(14) 0.0193(12) 0.0047(14)
C4 0.0443(16) 0.077(2) 0.0621(19) 0.0077(16) 0.0236(14) 0.0074(14)
C5 0.0354(14) 0.0677(19) 0.0613(18) 0.0179(14) 0.0130(13) -0.0003(12)
N6 0.0358(11) 0.0550(13) 0.0484(12) -0.0001(10) 0.0092(9) -0.0056(10)
C7 0.067(2) 0.097(3) 0.068(2) -0.026(2) 0.0272(17) -0.0039(19)
C8 0.0390(15) 0.095(3) 0.080(2) 0.014(2) 0.0081(15) -0.0135(17)
C9 0.0437(14) 0.0484(14) 0.0461(14) 0.0014(11) 0.0061(11) -0.0066(11)
N10 0.0501(13) 0.0485(12) 0.0475(12) -0.0024(10) 0.0160(10) -0.0038(10)
C11 0.080(2) 0.0558(17) 0.0564(17) -0.0050(14) 0.0259(16) 0.0018(16)
N12 0.086(2) 0.0642(17) 0.0583(15) -0.0175(14) 0.0102(15) -0.0083(16)
N13 0.0645(17) 0.0711(18) 0.0689(17) -0.0175(15) 0.0079(14) -0.0142(15)
C14 0.144(5) 0.101(4) 0.088(3) -0.053(3) 0.016(3) -0.018(3)
N21 0.0317(13) 0.0117(10) 0.0339(13) 0.000 0.0159(10) 0.000
O22 0.166(8) 0.058(4) 0.188(8) -0.061(5) 0.111(7) -0.046(5)
O23 0.049(2) 0.053(3) 0.068(3) 0.004(2) 0.0169(19) 0.001(2)
O24 0.108(10) 0.058(2) 0.123(11) 0.009(4) 0.041(7) 0.008(4)
N31 0.057(6) 0.081(3) 0.080(3) 0.012(5) 0.041(3) 0.006(4)
O32 0.154(10) 0.151(8) 0.163(10) -0.072(7) 0.097(9) -0.046(8)
O33 0.092(6) 0.239(13) 0.081(5) -0.024(6) 0.034(4) 0.026(7)
O34 0.312(15) 0.112(6) 0.180(12) 0.007(7) 0.105(10) 0.020(10)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O23 2.018(5) . ?
Cu1 N2 2.042(2) . ?
Cu1 N2 2.042(2) 2_656 ?
Cu1 N10 2.112(2) 2_656 ?
Cu1 N10 2.112(2) . ?
N2 C3 1.334(4) . ?
N2 N6 1.372(3) . ?
C3 C4 1.410(4) . ?
C3 C7 1.490(5) . ?
C4 C5 1.359(5) . ?
C4 H4 0.9300 . ?
C5 N6 1.365(4) . ?
C5 C8 1.495(4) . ?
N6 C9 1.394(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N13 1.310(4) . ?
C9 N10 1.346(4) . ?
N10 C11 1.328(4) . ?
C11 N12 1.325(5) . ?
C11 H11 0.9300 . ?
N12 N13 1.370(5) . ?
N12 C14 1.467(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N21 O22 1.174(7) . ?
N21 O24 1.228(5) . ?
N21 O23 1.253(5) . ?
N31 O34 1.177(8) . ?
N31 O33 1.193(8) . ?
N31 O32 1.197(7) . ?

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
_geom_angle_publ_flag
O23 Cu1 N2 86.42(17) . . ?
N2 Cu1 N2 175.24(14) . 2_656 ?
O23 Cu1 N10 154.67(14) . 2_656 ?
N2 Cu1 N10 97.82(10) . 2_656 ?
N2 Cu1 N10 79.22(9) 2_656 2_656 ?
O23 Cu1 N10 100.97(14) . . ?
N2 Cu1 N10 79.22(9) . . ?
N2 Cu1 N10 97.82(10) 2_656 . ?
N10 Cu1 N10 104.36(13) 2_656 . ?
C3 N2 N6 105.7(2) . . ?
C3 N2 Cu1 139.3(2) . . ?
N6 N2 Cu1 114.03(18) . . ?
N2 C3 C4 109.4(3) . . ?
N2 C3 C7 122.4(3) . . ?
C4 C3 C7 128.2(3) . . ?
C5 C4 C3 107.5(3) . . ?
C5 C4 H4 126.2 . . ?
C3 C4 H4 126.2 . . ?
C4 C5 N6 105.9(3) . . ?
C4 C5 C8 130.8(3) . . ?
N6 C5 C8 123.3(3) . . ?
C5 N6 N2 111.5(2) . . ?
C5 N6 C9 132.3(3) . . ?
N2 N6 C9 116.2(2) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N13 C9 N10 116.0(3) . . ?
N13 C9 N6 125.4(3) . . ?
N10 C9 N6 118.6(2) . . ?
C11 N10 C9 103.0(3) . . ?
C11 N10 Cu1 145.1(2) . . ?
C9 N10 Cu1 111.50(18) . . ?
N12 C11 N10 109.0(3) . . ?
N12 C11 H11 125.5 . . ?
N10 C11 H11 125.5 . . ?
C11 N12 N13 111.2(3) . . ?
C11 N12 C14 128.7(4) . . ?
N13 N12 C14 120.1(4) . . ?
C9 N13 N12 100.7(3) . . ?
N12 C14 H14A 109.5 . . ?
N12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O22 N21 O24 117.8(6) . . ?
O22 N21 O23 122.6(5) . . ?
O24 N21 O23 119.6(5) . . ?
N21 O23 Cu1 106.5(3) . . ?
O34 N31 O33 116.8(10) . . ?
O34 N31 O32 119.8(10) . . ?
O33 N31 O32 122.9(9) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N6 N2 C3 C4 -0.3(4) . . . . ?
Cu1 N2 C3 C4 167.0(3) . . . . ?
N6 N2 C3 C7 179.3(3) . . . . ?
Cu1 N2 C3 C7 -13.4(5) . . . . ?
N2 C3 C4 C5 0.1(4) . . . . ?
C7 C3 C4 C5 -179.4(4) . . . . ?
C3 C4 C5 N6 0.2(4) . . . . ?
C3 C4 C5 C8 179.9(3) . . . . ?
C4 C5 N6 N2 -0.3(3) . . . . ?
C8 C5 N6 N2 179.9(3) . . . . ?
C4 C5 N6 C9 -177.4(3) . . . . ?
C8 C5 N6 C9 2.8(5) . . . . ?
C3 N2 N6 C5 0.4(3) . . . . ?
Cu1 N2 N6 C5 -170.60(19) . . . . ?
C3 N2 N6 C9 178.0(3) . . . . ?
Cu1 N2 N6 C9 7.0(3) . . . . ?
C5 N6 C9 N13 -11.2(5) . . . . ?
N2 N6 C9 N13 171.8(3) . . . . ?
C5 N6 C9 N10 168.8(3) . . . . ?
N2 N6 C9 N10 -8.2(4) . . . . ?
N13 C9 N10 C11 -0.4(4) . . . . ?
N6 C9 N10 C11 179.6(3) . . . . ?
N13 C9 N10 Cu1 -174.9(2) . . . . ?
N6 C9 N10 Cu1 5.1(3) . . . . ?
C9 N10 C11 N12 0.8(4) . . . . ?
Cu1 N10 C11 N12 172.0(3) . . . . ?
N10 C11 N12 N13 -1.0(4) . . . . ?
N10 C11 N12 C14 -178.5(4) . . . . ?
N10 C9 N13 N12 -0.2(4) . . . . ?
N6 C9 N13 N12 179.8(3) . . . . ?
C11 N12 N13 C9 0.7(4) . . . . ?
C14 N12 N13 C9 178.5(4) . . . . ?
O22 N21 O23 Cu1 4.2(8) . . . . ?
O24 N21 O23 Cu1 -178.2(12) . . . . ?

_refine_diff_density_max         0.790
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.063

_shelx_res_file                  
;
TITL yg_D1Cu in C2/c
    yg_D1Cu.res
    created by SHELXL-2018/3 at 21:04:52 on 19-Apr-2021
CELL 0.71073  15.210754  14.023610  11.508664  90.0000 108.6783  90.0000
ZERR    4.00   0.001114   0.000931   0.000929   0.0000   0.0088   0.0000
LATT 7
SYMM -X, Y, 1/2-Z
SFAC C  H  N  O  Cu
UNIT 64  88  48  24  4
OMIT     1   5   3
L.S. 100
ACTA
BOND $H
FMAP 2
PLAN 20
SADI 0.01 N31 O32 N31 O33 N31 O34
SADI 0.02 O32 O33 O33 O34 O34 O32
SADI 0.01 N21 O22 N21 O23 N21 O24
SADI 0.02 O22 O23 O23 O24 O24 O22
CONF
FLAT 0.05 N31 > O34
FLAT 0.05 N21 > O24
ISOR 0.01 N21 > LAST
WGHT    0.079100    3.054800
FVAR       2.75194
CU1   5    0.500000    0.267239    0.750000    10.50000    0.03258    0.04237 =
         0.04430    0.00000    0.01051    0.00000
N2    3    0.379742    0.261188    0.792726    11.00000    0.03568    0.05711 =
         0.04938   -0.00608    0.01205   -0.00329
C3    1    0.339902    0.304455    0.866257    11.00000    0.04563    0.06528 =
         0.05249    0.00127    0.01933    0.00474
C4    1    0.245310    0.279100    0.830976    11.00000    0.04426    0.07733 =
         0.06211    0.00772    0.02363    0.00745
AFIX  43
H4    2    0.202354    0.299781    0.867588    11.00000   -1.20000
AFIX   0
C5    1    0.228334    0.218906    0.733672    11.00000    0.03538    0.06768 =
         0.06127    0.01794    0.01302   -0.00029
N6    3    0.310911    0.208575    0.711941    11.00000    0.03579    0.05501 =
         0.04843   -0.00013    0.00923   -0.00563
C7    1    0.392441    0.368070    0.968633    11.00000    0.06668    0.09704 =
         0.06766   -0.02605    0.02723   -0.00386
AFIX 137
H7A   2    0.405812    0.334499    1.045035    11.00000   -1.50000
H7B   2    0.355867    0.423534    0.970284    11.00000   -1.50000
H7C   2    0.449497    0.387168    0.956547    11.00000   -1.50000
AFIX   0
C8    1    0.140975    0.170003    0.659685    11.00000    0.03904    0.09547 =
         0.08032    0.01357    0.00811   -0.01350
AFIX 137
H8A   2    0.145858    0.102976    0.677564    11.00000   -1.50000
H8B   2    0.131599    0.179597    0.573963    11.00000   -1.50000
H8C   2    0.089387    0.196042    0.680031    11.00000   -1.50000
AFIX   0
C9    1    0.335805    0.158851    0.622323    11.00000    0.04373    0.04845 =
         0.04611    0.00143    0.00608   -0.00655
N10   3    0.420041    0.174898    0.611323    11.00000    0.05014    0.04855 =
         0.04749   -0.00236    0.01595   -0.00381
C11   1    0.421210    0.117093    0.520466    11.00000    0.07995    0.05582 =
         0.05643   -0.00504    0.02589    0.00176
AFIX  43
H11   2    0.470460    0.109905    0.489826    11.00000   -1.20000
AFIX   0
N12   3    0.340905    0.071279    0.480454    11.00000    0.08567    0.06424 =
         0.05832   -0.01753    0.01017   -0.00834
N13   3    0.283643    0.096575    0.546111    11.00000    0.06448    0.07107 =
         0.06888   -0.01753    0.00791   -0.01419
C14   1    0.311110   -0.001020    0.383646    11.00000    0.14379    0.10140 =
         0.08836   -0.05257    0.01576   -0.01837
AFIX 137
H14A  2    0.348276    0.003894    0.330407    11.00000   -1.50000
H14B  2    0.247063    0.009060    0.337128    11.00000   -1.50000
H14C  2    0.318490   -0.063335    0.420041    11.00000   -1.50000
AFIX   0
N21   3    0.500000    0.456870    0.750000    10.50000    0.03172    0.01174 =
         0.03393    0.00000    0.01587    0.00000
PART -2
O22   4    0.559008    0.436645    0.840826    10.50000    0.16591    0.05814 =
         0.18794   -0.06137    0.11127   -0.04648
O23   4    0.455569    0.395612    0.674822    10.50000    0.04895    0.05347 =
         0.06775    0.00406    0.01686    0.00118
O24   4    0.484126    0.541913    0.727298    10.50000    0.10778    0.05781 =
         0.12336    0.00858    0.04127    0.00822
PART -1
N31   3    0.488294    0.103077    0.245948    10.50000    0.05653    0.08144 =
         0.08039    0.01231    0.04053    0.00555
O32   4    0.520914    0.165773    0.317281    10.50000    0.15366    0.15051 =
         0.16338   -0.07152    0.09720   -0.04597
O33   4    0.450466    0.116904    0.139277    10.50000    0.09226    0.23947 =
         0.08056   -0.02372    0.03443    0.02628
O34   4    0.483834    0.025248    0.282008    10.50000    0.31194    0.11171 =
         0.18008    0.00715    0.10530    0.01952
PART
HKLF 4




REM  yg_D1Cu in C2/c
REM wR2 = 0.1299, GooF = S = 1.078, Restrained GooF = 1.147 for all data
REM R1 = 0.0452 for 2174 Fo > 4sig(Fo) and 0.0472 for all 2272 data
REM 194 parameters refined using 62 restraints

END

WGHT      0.0787      2.9744

REM Highest difference peak  0.790,  deepest hole -0.593,  1-sigma level  0.063
Q1    1   0.4290  0.0509  0.2586  11.00000  0.05    0.36
Q2    1   0.4602  0.3624  0.6775  11.00000  0.05    0.30
Q3    1   0.5958  0.4497  0.8363  11.00000  0.05    0.29
Q4    1   0.4591  0.0543  0.1560  11.00000  0.05    0.27
Q5    1   0.5491  0.4368  0.8793  11.00000  0.05    0.27
Q6    1   0.2872  0.3110  0.8415  11.00000  0.05    0.23
Q7    1   0.4536  0.1911  0.6565  11.00000  0.05    0.21
Q8    1   0.5000  0.2020  0.2500  10.50000  0.05    0.21
Q9    1   0.3208  0.1892  0.6717  11.00000  0.05    0.21
Q10   1   0.1990  0.2151  0.7067  11.00000  0.05    0.20
Q11   1   0.3847  0.0903  0.4963  11.00000  0.05    0.20
Q12   1   0.2274  0.2697  0.7454  11.00000  0.05    0.20
Q13   1   0.1552  0.1232  0.6196  11.00000  0.05    0.19
Q14   1   0.4295  0.2577  0.7891  11.00000  0.05    0.19
Q15   1   0.3082  0.0802  0.5114  11.00000  0.05    0.18
Q16   1   0.4789  0.1037  0.3248  11.00000  0.05    0.17
Q17   1   0.4340  0.5276  0.6655  11.00000  0.05    0.16
Q18   1   0.3731  0.4519  0.9170  11.00000  0.05    0.16
Q19   1   0.4692  0.3477  1.0069  11.00000  0.05    0.16
Q20   1   0.4213  0.0931  0.0977  11.00000  0.05    0.16
;
_shelx_res_checksum              6438

_shelx_hkl_file                  
;
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   0   0  -6 6297.55 148.234   1
   0   0  -8 53945.2 484.839   1
   0   0  -8 52306.4 495.753   1
   0   0 -10 8885.81 230.938   1
   0   0 -10 8299.45 222.051   1
   0   0 -12 256.389 55.0948   1
   0   0 -12 332.164 61.8473   1
   0   2   1 20640.9 107.496   1
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   0   2  -3 45135.3 319.302   1
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   0   2   3 45005.1 230.074   1
   0   2  -4 11200.7 180.357   1
   0  -2   4 11153.4 192.634   1
   0   2   4 11271.6 135.147   1
   0  -2  -4 11283.5 133.830   1
   0   2  -5 195.409 28.3755   1
   0  -2  -5 186.582 22.4888   1
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   0   2   5 202.084 20.6700   1
   0   2  -6 16331.7 257.327   1
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   0   2  -6 16778.6 250.359   1
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   0   4 -13 88.8174 63.0872   1
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   0  -8   3 326.536 45.9468   1
   0  -8  -3 358.430 29.4710   1
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   0   8   4 19052.1 229.297   1
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   0  -8  -7 6895.60 113.351   1
   0   8  -8 522.561 66.8116   1
   0  -8  -8 623.344 41.0807   1
   0   8   8 615.830 49.9174   1
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   0   8   9 2056.55 86.5224   1
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   0  12  -9 986.114 100.182   1
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   7   1 -12 386.374 69.0439   1
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   7  -1  -9 11297.1 269.792   1
   7  -1  -8 162.464 34.5834   1
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   7   1  -8 226.757 43.7375   1
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   7  -1  -7 65226.0 558.559   1
   7   1  -7 65761.4 586.935   1
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   7  -1  -6 18420.8 277.646   1
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   7   1  -5 89240.4 599.117   1
   7   1  -4 10.1593 19.6263   1
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   7  -1  -4 47.1626 22.8039   1
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  16  -4   0 8353.75 234.707   1
  16   4   0 8942.40 190.153   1
 -16  -4   0 8500.62 203.686   1
 -16  -4  -1 126.442 40.2867   1
  16  -4   1 18.6372 42.1815   1
  16   4   1 65.4134 29.2997   1
 -16   4  -1 184.276 66.6844   1
  16   4   2 1708.44 82.0243   1
 -16   4  -2 2037.10 131.934   1
  16  -4   2 1901.87 127.703   1
 -16  -4  -2 1632.68 82.6971   1
  16  -6  -9 370.455 76.3119   1
 -16   6   9 375.936 102.095   1
  16   6  -9 509.919 96.6884   1
 -16  -6   9 360.790 82.4322   1
 -16   6   8 1578.75 149.408   1
  16   6  -8 1447.68 127.535   1
 -16  -6   8 1637.00 129.128   1
  16  -6  -8 1534.34 114.648   1
  16  -6  -7 339.131 59.7543   1
 -16  -6   7 446.627 79.1021   1
 -16   6   7 379.688 88.5212   1
  16   6  -7 354.903 73.3309   1
  16   6  -6 1942.60 134.023   1
 -16  -6   6 1599.52 116.317   1
 -16   6   6 1807.00 153.793   1
  16  -6  -6 1960.97 127.828   1
 -16  -6   5 1584.13 119.951   1
  16   6  -5 1575.19 111.113   1
 -16   6   5 1569.67 143.032   1
  16  -6  -5 1524.65 111.577   1
 -16  -6   4 1354.03 105.323   1
  16   6  -4 1261.90 93.9833   1
 -16   6   4 1359.38 131.266   1
  16  -6  -4 1345.66 99.8551   1
 -16  -6   3 2545.87 133.266   1
  16   6  -3 2721.27 126.886   1
 -16   6   3 2733.45 172.030   1
  16  -6  -3 2594.69 139.673   1
  16   6  -2 5375.47 164.763   1
 -16  -6   2 4926.18 170.365   1
 -16   6   2 4844.36 229.443   1
  16  -6  -2 4811.12 180.447   1
 -16  -6   1 919.053 73.1341   1
  16  -6  -1 875.922 84.6152   1
 -16   6   1 998.212 110.039   1
  16   6  -1 1096.13 69.7169   1
 -16   6   0 3340.44 182.713   1
  16  -6   0 3405.47 164.458   1
 -16  -6   0 3751.84 122.877   1
  16   6   0 3711.71 112.386   1
 -16   6  -1 959.167 111.969   1
  16  -6   1 923.066 96.8990   1
  16   6   1 953.167 54.7615   1
 -16   8   7 566.218 117.354   1
  16   8  -7 418.993 81.9850   1
  16   8  -6 1472.16 135.996   1
  16   8  -6 1660.94 129.419   1
 -16   8   6 1445.68 152.366   1
  16  -8  -6 1420.74 119.791   1
  16   8  -5 665.701 93.7493   1
  16   8  -5 787.940 86.0851   1
  16  -8  -5 667.520 89.2151   1
 -16   8   5 593.737 106.930   1
  16   8  -4 455.974 72.5489   1
  16   8  -4 554.021 73.8712   1
  16  -8  -4 501.029 67.6477   1
 -16   8   4 552.013 98.3244   1
  16   8  -3 590.123 80.5646   1
  16   8  -3 763.563 76.1875   1
 -16   8   3 679.995 110.458   1
  16  -8  -3 568.999 77.2571   1
  16   8  -2 653.781 63.7115   1
  16   8  -2 547.130 71.8160   1
 -16   8   2 598.868 96.2472   1
  16  -8  -2 595.445 78.5979   1
  16   8  -1 488.793 60.3549   1
 -16   8   1 602.513 101.812   1
  16  -8  -1 581.383 80.5115   1
  16   8  -1 529.534 52.1205   1
 -17  -1   9 1736.77 147.136   1
  17  -1  -9 2136.02 148.434   1
  17   1  -9 1962.77 142.548   1
 -17   1   9 2090.80 161.700   1
 -17   1   8 86.6956 68.7468   1
  17  -1  -8 140.252 51.3434   1
  17   1  -8 126.992 58.5613   1
 -17  -1   8 45.0573 54.5209   1
  17  -1  -7 886.082 91.0654   1
  17   1  -7 701.826 83.0567   1
 -17   1   7 971.590 113.552   1
 -17  -1   7 859.978 103.627   1
 -17  -1   6 31.9852 50.9253   1
  17  -1  -6 69.7477 48.0971   1
  17   1  -6 98.7422 46.1235   1
 -17   1   6 60.3082 49.5092   1
  17  -1  -5 2129.50 124.781   1
  17   1  -5 2284.01 128.317   1
 -17   1   5 1873.95 133.945   1
 -17  -1   5 2135.48 144.936   1
  17  -1  -4 66.9860 45.4109   1
 -17   1   4-9.97124 49.3088   1
 -17  -1   4-21.3415 40.9572   1
 -17   1   3 4425.20 201.594   1
 -17  -1   3 4163.91 179.533   1
  17   1  -3 4297.66 165.718   1
 -17   1   2 11.5769 47.6555   1
 -17  -1   2-62.8247 50.5763   1
  17  -1  -2 6.54624 38.4455   1
  17   1  -2 31.8206 32.9810   1
 -17  -1   1 4962.99 192.659   1
  17  -1  -1 5051.59 176.298   1
  17   1  -1 4909.90 164.545   1
 -17   1   1 4813.08 199.013   1
 -17   1   0 74.8173 54.5470   1
 -17  -1   0 39.5825 43.9588   1
  17  -1   0 124.090 43.4615   1
  17   1   0 135.463 43.5415   1
 -17  -1  -1 2661.62 137.853   1
  17  -1   1 2699.32 131.017   1
  17   1   1 2736.13 120.986   1
 -17   1  -1 2729.07 148.961   1
 -17   3   9 756.244 131.586   1
  17  -3  -9 1057.67 112.227   1
  17   3  -9 1058.39 110.149   1
 -17  -3   9 1067.68 127.168   1
  17  -3  -8 39.0026 52.8279   1
 -17  -3   8-43.3153 58.4532   1
  17   3  -8 20.3463 55.8042   1
 -17   3   8-8.92712 52.3343   1
  17  -3  -7 1590.81 117.737   1
 -17   3   7 1621.08 140.636   1
 -17  -3   7 1646.09 129.069   1
  17   3  -7 1619.62 118.200   1
 -17  -3   6 12.8583 53.5333   1
  17  -3  -6 60.1772 51.9593   1
  17   3  -6 68.2766 49.2671   1
 -17   3   6 98.4731 53.9382   1
  17   3  -5 2636.89 138.176   1
  17  -3  -5 2480.18 133.750   1
 -17  -3   5 2517.45 146.925   1
 -17   3   5 2257.66 161.792   1
  17  -3  -4 137.906 55.0680   1
  17   3  -4 60.2400 46.5107   1
 -17   3   4 143.020 71.7639   1
 -17  -3   4 58.6469 48.4691   1
  17   3  -3 3653.70 147.478   1
 -17  -3   3 3686.81 167.798   1
  17  -3  -3 3634.51 157.947   1
 -17   3   3 3776.25 190.522   1
  17   3  -2 24.5890 36.5078   1
 -17   3   2 115.898 67.1201   1
 -17  -3   2 59.5795 44.8104   1
  17  -3  -2 47.6416 39.4723   1
  17  -3  -1 3481.85 148.728   1
 -17   3   1 3740.89 181.828   1
  17   3  -1 3781.60 142.283   1
 -17  -3   0 104.900 45.8631   1
  17  -3   0 138.772 56.9848   1
  17   3   0 90.0795 38.2205   1
 -17   3   0 133.229 70.8982   1
  17  -3   1 1535.73 117.319   1
 -17   3  -1 1657.90 129.614   1
  17  -5  -8 714.790 95.0987   1
  17   5  -8 949.153 109.249   1
 -17   5   8 782.577 116.154   1
 -17  -5   8 677.362 97.2128   1
 -17  -5   7 2914.11 173.719   1
 -17   5   7 3090.88 200.612   1
  17   5  -7 3002.84 166.928   1
  17  -5  -7 2955.22 160.143   1
  17  -5  -6 834.156 83.3810   1
 -17   5   6 924.894 116.569   1
  17   5  -6 912.719 96.1631   1
 -17  -5   6 910.161 105.941   1
  17   5  -5 1959.16 129.898   1
 -17  -5   5 1913.97 129.786   1
 -17   5   5 2097.59 160.039   1
  17  -5  -5 1976.77 125.180   1
 -17   5   4 846.021 111.657   1
  17   5  -4 825.005 79.6535   1
 -17  -5   4 798.781 89.5007   1
  17  -5  -4 829.930 91.7703   1
  17   5  -3 3086.29 138.840   1
 -17  -5   3 2935.80 151.832   1
 -17   5   3 3392.71 190.772   1
  17  -5  -3 3197.59 150.890   1
 -17  -5   2 884.626 83.3769   1
  17  -5  -2 952.442 86.6946   1
 -17   5   2 856.723 109.834   1
  17   5  -2 1044.46 79.9070   1
 -17  -5   1 1328.09 93.0663   1
 -17   5   1 1170.18 118.200   1
  17  -5  -1 1186.81 100.731   1
  17   5  -1 1385.78 87.8200   1
 -17  -5   0 637.074 70.2036   1
  17  -5   0 546.576 80.0165   1
 -17   5   0 664.183 107.707   1
 -17   7   5 839.051 125.019   1
  17   7  -5 747.917 79.7106   1
  17  -7  -5 789.249 91.4204   1
 -17  -7   5 883.755 94.6767   1
  17   7  -4 719.554 82.3944   1
 -17  -7   4 784.698 88.6807   1
  17  -7  -4 769.764 90.7125   1
 -17   7   4 693.865 113.933   1
  17   7  -3 104.400 45.1454   1
 -17  -7   3 42.0481 45.2845   1
  17  -7  -3 63.3885 44.0610   1
 -17   7   3 39.4987 76.9868   1
  18   0  -8 2934.64 166.762   1
 -18   0   8 2747.81 189.064   1
  18   0  -6 4700.30 197.584   1
 -18   0   6 4249.40 217.242   1
 -18   0   4 4593.54 207.894   1
  18   0  -4 4910.40 182.359   1
 -18   0   2 3406.84 177.770   1
  18   0  -2 3939.40 155.242   1
  18  -2  -7-9.35812 50.7765   1
  18   2  -7 81.4276 53.8368   1
 -18  -2   7 115.467 72.8925   1
 -18   2   7 104.272 75.0251   1
  18   2  -6 1958.67 130.437   1
 -18   2   6 1698.06 141.317   1
 -18  -2   6 1709.39 137.215   1
  18  -2  -6 2110.93 131.172   1
  18  -2  -5-43.4991 47.0436   1
  18   2  -5 63.6048 46.7153   1
 -18  -2   5 40.6588 51.1559   1
 -18   2   5 84.6897 65.0128   1
  18   2  -4 2536.08 133.441   1
 -18   2   4 2749.67 176.405   1
  18  -2  -4 2911.92 147.012   1
  18   2  -3 17.6793 39.3272   1
 -18  -2   3-19.8279 50.6627   1
 -18   2   3 75.7934 62.0513   1
  18  -2  -3-24.6367 50.8251   1
 -18  -2   2 3041.76 158.554   1
  18  -2  -2 3087.67 146.123   1
  18   2  -2 3113.58 137.367   1
 -18   2   2 2906.67 166.011   1
 -18  -2   1 736.147 78.9835   1
 -18   2   1 797.493 101.079   1
  18  -2  -1 740.816 85.1639   1
 -18   4   6 1627.88 149.363   1
  18   4  -6 1614.27 116.066   1
 -18  -4   6 1616.16 129.872   1
  18  -4  -6 1542.80 124.002   1
  18  -4  -5 10.3446 62.5643   1
 -18   4   5 69.1926 67.8257   1
  18   4  -5 48.0120 56.6007   1
 -18  -4   5 69.0584 63.9413   1
  18   4  -4 2726.60 142.123   1
 -18  -4   4 2391.07 148.738   1
  18  -4  -4 2769.55 150.205   1
 -18   4   4 2497.60 175.111   1
 -18   4   3 208.911 74.6998   1
  18   4  -3 187.202 49.2736   1
 -18  -4   3 181.806 57.2531   1
  18  -4  -3 223.868 59.3935   1
   0   0   0    0.00    0.00   0
TITL yg_D1Cu in C2/c
REM C2/c (#15 in standard setting)
CELL 0.71073  15.210754  14.023610  11.508664  90.0000 108.6783  90.0000
ZERR    4.00   0.001114   0.000931   0.000929   0.0000   0.0088   0.0000
LATT  7
SYMM -x, y,-z+1/2
SFAC C H N O Cu
UNIT 80.00 40.00 16.00 16.00 4.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum              56480

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2287517'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT232_shelx               
;
PROBLEM: Hirshfeld Test Diff (M-X)  Zn1      --O30      .       17.6 s.u.
RESPONSE: Due to mild disorder
;
# Added during the CSD deposition process: Tuesday 08 August 2023 01:37 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H44 N23 O6 Zn2, 2(N O3)'
_chemical_formula_sum            'C32 H44 N25 O12 Zn2'
_chemical_formula_weight         1101.66

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.3500(5)
_cell_length_b                   13.6196(4)
_cell_length_c                   11.4186(3)
_cell_angle_alpha                90
_cell_angle_beta                 109.496(3)
_cell_angle_gamma                90
_cell_volume                     2250.31(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6610
_cell_measurement_theta_min      2.4780
_cell_measurement_theta_max      36.3610

_exptl_crystal_description       blobk
_exptl_crystal_colour            white
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_F_000             1134
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.155
_shelx_estimated_absorpt_T_min   0.802
_shelx_estimated_absorpt_T_max   0.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.98710
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.111a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            7581
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.454
_diffrn_reflns_theta_max         25.991
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2217
_reflns_number_gt                2112
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_publication_material  WinGX
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0329P)²+2.7481P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2217
_refine_ls_number_parameters     180
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0675
_refine_ls_wR_factor_gt          0.0664
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C3 C 0.77668(12) 0.78143(13) 0.26965(16) 0.0282(4) Uani 1 1 d . . . A 1
C4 C 0.76263(12) 0.71881(14) 0.17164(17) 0.0301(4) Uani 1 1 d . . . A 1
H4 H 0.807867 0.696956 0.137556 0.036 Uiso 1 1 calc R U . A 1
C5 C 0.66837(12) 0.69271(13) 0.13058(15) 0.0258(4) Uani 1 1 d . . . A 1
C7 C 0.66628(12) 0.84088(13) 0.37450(15) 0.0246(3) Uani 1 1 d . . . A 1
C10 C 0.58047(14) 0.88008(14) 0.47642(17) 0.0323(4) Uani 1 1 d . . . A 1
H10 H 0.530534 0.885151 0.507692 0.039 Uiso 1 1 calc R U . A 1
C12 C 0.6852(2) 1.00546(19) 0.6138(2) 0.0584(7) Uani 1 1 d . . . A 1
H12A H 0.747727 0.991545 0.670466 0.088 Uiso 1 1 calc R U . A 1
H12B H 0.641865 1.005059 0.660201 0.088 Uiso 1 1 calc R U . A 1
H12C H 0.684304 1.070095 0.575642 0.088 Uiso 1 1 calc R U . A 1
C13 C 0.86179(13) 0.83314(16) 0.34850(19) 0.0380(5) Uani 1 1 d . . . A 1
H13A H 0.856917 0.903227 0.327867 0.057 Uiso 1 1 calc R U . A 1
H13B H 0.915880 0.805424 0.333088 0.057 Uiso 1 1 calc R U . A 1
H13C H 0.868447 0.824732 0.436303 0.057 Uiso 1 1 calc R U . A 1
C14 C 0.61773(14) 0.62771(15) 0.02509(18) 0.0344(4) Uani 1 1 d . . . A 1
H14A H 0.558724 0.607994 0.033580 0.052 Uiso 1 1 calc R U . A 1
H14B H 0.654976 0.569180 0.025561 0.052 Uiso 1 1 calc R U . A 1
H14C H 0.606126 0.663148 -0.053349 0.052 Uiso 1 1 calc R U . A 1
N1 N 0.71559(12) 0.90725(12) 0.45140(15) 0.0359(4) Uani 1 1 d . . . A 1
N2 N 0.69278(10) 0.79169(11) 0.28509(13) 0.0238(3) Uani 1 1 d . . . A 1
N6 N 0.62564(10) 0.73672(11) 0.20011(13) 0.0237(3) Uani 1 1 d . . . A 1
N9 N 0.65823(13) 0.93053(12) 0.51695(14) 0.0371(4) Uani 1 1 d . . . A 1
N11 N 0.58309(10) 0.82091(11) 0.38471(12) 0.0251(3) Uani 1 1 d . . . A 1
N15B N 0.500000 0.5443(7) 0.250000 0.025(3) Uani 1 2 d S T P A 1
N16 N 0.500000 0.89767(18) 0.750000 0.0324(5) Uani 1 2 d DS T P B 1
O26 O 0.4803(6) 0.8390(7) 0.6692(9) 0.090(3) Uani 0.5 1 d . . P B 1
O26A O 0.4618(9) 0.8548(9) 0.6486(13) 0.024(2) Uiso 0.25 1 d . . P B 1
O26C O 0.4477(6) 0.8901(11) 0.6299(8) 0.073(4) Uani 0.25 1 d . . P B 1
O27 O 0.500000 0.9811(6) 0.750000 0.088(2) Uiso 0.5 2 d DS . P B 1
O27A O 0.4623(7) 0.9813(7) 0.7676(8) 0.070(2) Uiso 0.25 1 d . . P B 1
O30 O 0.54789(9) 0.59074(10) 0.34413(12) 0.0339(3) Uani 1 1 d . . . A 1
O31 O 0.500000 0.45152(15) 0.250000 0.0438(5) Uani 1 2 d S T P A 1
Zn1 Zn 0.500000 0.72875(2) 0.250000 0.02181(10) Uani 1 2 d S T P A 1
N15A N 0.500000 0.5346(16) 0.250000 0.011(3) Uiso 0.5 2 d S . P C 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C3 0.0206(8) 0.0339(10) 0.0284(9) 0.0101(7) 0.0060(7) -0.0009(7)
C4 0.0240(9) 0.0385(11) 0.0299(9) 0.0059(7) 0.0117(7) 0.0044(7)
C5 0.0246(8) 0.0289(9) 0.0247(8) 0.0035(7) 0.0092(7) 0.0031(7)
C7 0.0274(8) 0.0224(8) 0.0214(8) 0.0016(6) 0.0044(7) -0.0024(7)
C10 0.0430(11) 0.0279(9) 0.0270(9) -0.0015(7) 0.0129(8) 0.0025(8)
C12 0.0812(18) 0.0447(14) 0.0412(12) -0.0236(10) 0.0097(12) -0.0089(13)
C13 0.0231(9) 0.0467(12) 0.0382(10) 0.0071(9) 0.0024(8) -0.0079(8)
C14 0.0336(10) 0.0399(11) 0.0315(9) -0.0084(8) 0.0133(8) 0.0005(8)
N1 0.0389(9) 0.0338(9) 0.0304(8) -0.0066(7) 0.0054(7) -0.0090(7)
N2 0.0205(7) 0.0266(7) 0.0225(7) 0.0001(6) 0.0047(5) -0.0040(6)
N6 0.0211(7) 0.0259(7) 0.0226(7) -0.0022(5) 0.0053(5) -0.0024(6)
N9 0.0511(10) 0.0296(8) 0.0270(8) -0.0086(7) 0.0084(7) -0.0037(8)
N11 0.0295(8) 0.0229(7) 0.0234(7) -0.0017(5) 0.0097(6) -0.0014(6)
N15B 0.036(3) 0.010(3) 0.036(3) 0.000 0.0215(17) 0.000
N16 0.0311(12) 0.0294(12) 0.0402(13) 0.000 0.0168(10) 0.000
O26 0.062(5) 0.124(8) 0.106(7) -0.063(6) 0.056(5) -0.020(5)
O26C 0.035(4) 0.142(10) 0.045(5) 0.059(5) 0.017(3) 0.022(5)
O30 0.0364(7) 0.0306(7) 0.0302(7) -0.0033(6) 0.0053(6) -0.0023(6)
O31 0.0652(14) 0.0206(12) 0.0465(12) 0.000 0.0200(10) 0.000
Zn1 0.02034(15) 0.02029(16) 0.02396(15) 0.000 0.00627(11) 0.000

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C3 N2 1.364(2) . ?
C3 C4 1.366(3) . ?
C3 C13 1.493(2) . ?
C4 C5 1.410(2) . ?
C5 N6 1.329(2) . ?
C5 C14 1.488(3) . ?
C7 N1 1.310(2) . ?
C7 N11 1.348(2) . ?
C7 N2 1.391(2) . ?
C10 N9 1.320(3) . ?
C10 N11 1.333(2) . ?
C12 N9 1.459(2) . ?
N1 N9 1.370(2) . ?
N2 N6 1.3773(19) . ?
N6 Zn1 2.1884(14) . ?
N11 Zn1 2.0637(14) . ?
N15B O30 1.253(5) . ?
N15B O30 1.253(5) 2_655 ?
N15B O31 1.263(10) . ?
N15B Zn1 2.513(10) . ?
N16 O27 1.136(8) . ?
N16 O26 1.181(9) 2_656 ?
N16 O26 1.181(9) . ?
N16 O26A 1.254(14) . ?
N16 O26A 1.254(14) 2_656 ?
N16 O27A 1.323(10) 2_656 ?
N16 O27A 1.323(10) . ?
N16 O26C 1.342(9) 2_656 ?
N16 O26C 1.342(9) . ?
O26 O26C 0.886(16) . ?
O26 O26 1.74(2) 2_656 ?
O26A O26C 0.542(11) . ?
O26C O27 1.823(14) . ?
O27 O27A 0.673(10) . ?
O27 O27A 0.673(10) 2_656 ?
O27A O27A 1.35(2) 2_656 ?
O30 Zn1 2.1682(14) . ?

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
_geom_angle_publ_flag
N2 C3 C4 105.79(15) . . ?
N2 C3 C13 123.21(18) . . ?
C4 C3 C13 130.99(18) . . ?
C3 C4 C5 107.09(16) . . ?
N6 C5 C4 110.12(16) . . ?
N6 C5 C14 121.54(15) . . ?
C4 C5 C14 128.33(16) . . ?
N1 C7 N11 115.67(16) . . ?
N1 C7 N2 125.39(16) . . ?
N11 C7 N2 118.94(14) . . ?
N9 C10 N11 109.23(17) . . ?
C7 N1 N9 101.13(15) . . ?
C3 N2 N6 111.72(14) . . ?
C3 N2 C7 131.63(15) . . ?
N6 N2 C7 116.47(13) . . ?
C5 N6 N2 105.28(13) . . ?
C5 N6 Zn1 141.85(12) . . ?
N2 N6 Zn1 111.15(10) . . ?
C10 N9 N1 111.03(15) . . ?
C10 N9 C12 128.7(2) . . ?
N1 N9 C12 120.26(19) . . ?
C10 N11 C7 102.93(15) . . ?
C10 N11 Zn1 141.29(13) . . ?
C7 N11 Zn1 115.21(11) . . ?
O30 N15B O30 119.3(8) . 2_655 ?
O30 N15B O31 120.4(4) . . ?
O30 N15B O31 120.4(4) 2_655 . ?
O30 N15B Zn1 59.6(4) . . ?
O30 N15B Zn1 59.6(4) 2_655 . ?
O31 N15B Zn1 180.0 . . ?
O27 N16 O26 132.6(5) . 2_656 ?
O27 N16 O26 132.6(5) . . ?
O26 N16 O26 94.9(10) 2_656 . ?
O27 N16 O26A 117.8(5) . . ?
O26 N16 O26A 109.0(6) 2_656 . ?
O26 N16 O26A 17.1(8) . . ?
O27 N16 O26A 117.8(6) . 2_656 ?
O26 N16 O26A 17.1(8) 2_656 2_656 ?
O26 N16 O26A 109.0(6) . 2_656 ?
O26A N16 O26A 124.5(11) . 2_656 ?
O27 N16 O27A 30.6(4) . 2_656 ?
O26 N16 O27A 133.6(6) 2_656 2_656 ?
O26 N16 O27A 118.3(6) . 2_656 ?
O26A N16 O27A 110.7(7) . 2_656 ?
O26A N16 O27A 116.6(7) 2_656 2_656 ?
O27 N16 O27A 30.6(4) . . ?
O26 N16 O27A 118.3(6) 2_656 . ?
O26 N16 O27A 133.6(6) . . ?
O26A N16 O27A 116.6(7) . . ?
O26A N16 O27A 110.7(7) 2_656 . ?
O27A N16 O27A 61.2(9) 2_656 . ?
O27 N16 O26C 94.4(6) . 2_656 ?
O26 N16 O26C 40.5(8) 2_656 2_656 ?
O26 N16 O26C 131.1(7) . 2_656 ?
O26A N16 O26C 147.6(11) . 2_656 ?
O26A N16 O26C 23.8(6) 2_656 2_656 ?
O27A N16 O26C 94.5(7) 2_656 2_656 ?
O27A N16 O26C 93.0(7) . 2_656 ?
O27 N16 O26C 94.4(6) . . ?
O26 N16 O26C 131.1(7) 2_656 . ?
O26 N16 O26C 40.5(8) . . ?
O26A N16 O26C 23.8(6) . . ?
O26A N16 O26C 147.6(11) 2_656 . ?
O27A N16 O26C 93.0(7) 2_656 . ?
O27A N16 O26C 94.5(7) . . ?
O26C N16 O26C 171.2(13) 2_656 . ?
O26C O26 N16 79.5(11) . . ?
O26C O26 O26 118.3(10) . 2_656 ?
N16 O26 O26 42.6(5) . 2_656 ?
O26C O26A N16 87(2) . . ?
O26A O26C O26 11.1(19) . . ?
O26A O26C N16 69.0(17) . . ?
O26 O26C N16 60.0(8) . . ?
O26A O26C O27 106.8(19) . . ?
O26 O26C O27 97.0(11) . . ?
N16 O26C O27 38.4(4) . . ?
O27A O27 O27A 179(3) . 2_656 ?
O27A O27 N16 90.3(14) . . ?
O27A O27 N16 90.3(14) 2_656 . ?
O27A O27 O26C 89.1(11) . 2_656 ?
O27A O27 O26C 91.2(11) 2_656 2_656 ?
N16 O27 O26C 47.2(4) . 2_656 ?
O27A O27 O26C 91.2(11) . . ?
O27A O27 O26C 89.1(11) 2_656 . ?
N16 O27 O26C 47.2(4) . . ?
O26C O27 O26C 94.4(8) 2_656 . ?
O27 O27A N16 59.1(12) . . ?
O27 O27A O27A 0.3(14) . 2_656 ?
N16 O27A O27A 59.4(4) . 2_656 ?
N15B O30 Zn1 90.5(4) . . ?
N11 Zn1 N11 105.08(8) . 2_655 ?
N11 Zn1 O30 97.75(5) . . ?
N11 Zn1 O30 156.88(5) 2_655 . ?
N11 Zn1 O30 156.88(5) . 2_655 ?
N11 Zn1 O30 97.75(5) 2_655 2_655 ?
O30 Zn1 O30 59.80(7) . 2_655 ?
N11 Zn1 N6 98.91(5) . 2_655 ?
N11 Zn1 N6 77.57(5) 2_655 2_655 ?
O30 Zn1 N6 95.53(5) . 2_655 ?
O30 Zn1 N6 89.40(5) 2_655 2_655 ?
N11 Zn1 N6 77.57(5) . . ?
N11 Zn1 N6 98.92(5) 2_655 . ?
O30 Zn1 N6 89.40(5) . . ?
O30 Zn1 N6 95.53(5) 2_655 . ?
N6 Zn1 N6 174.31(8) 2_655 . ?
N11 Zn1 N15B 127.46(4) . . ?
N11 Zn1 N15B 127.46(4) 2_655 . ?
O30 Zn1 N15B 29.90(3) . . ?
O30 Zn1 N15B 29.90(3) 2_655 . ?
N6 Zn1 N15B 92.84(4) 2_655 . ?
N6 Zn1 N15B 92.84(4) . . ?

_refine_diff_density_max         0.380
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.070

_shelx_res_file                  
;
TITL hm_yann_d1znno3_june2021_auto_a.res in C2/c
    shelx.res
    created by SHELXL-2018/3 at 17:22:49 on 18-Jul-2023
CELL  0.71073  15.3500  13.6196  11.4186   90.000  109.496   90.000
ZERR     2.00   0.0005   0.0004   0.0003    0.000    0.003    0.000
LATT   7
SYMM  - X,   Y, 1/2 - Z
SFAC  C    H    N    O    ZN
UNIT  64 88 50 24 4
MERG   2
OMIT    -4.00  52.00
OMIT    -3   3   2
OMIT     1   1   4
DFIX  N16 O27 1.21
FMAP   2
PLAN    5
SIZE     0.150   0.180   0.200
ACTA
L.S.  40
TEMP  -123.00
WGHT    0.032900    2.748100
FVAR       0.24311
PART  1
C3    1    0.776684    0.781434    0.269654    11.00000    0.02061    0.03390 =
         0.02837    0.01010    0.00602   -0.00093
C4    1    0.762634    0.718809    0.171638    11.00000    0.02398    0.03850 =
         0.02992    0.00589    0.01170    0.00438
AFIX  43
H4    2    0.807867    0.696956    0.137556    11.00000   -1.20000
AFIX   0
C5    1    0.668367    0.692713    0.130578    11.00000    0.02463    0.02885 =
         0.02470    0.00348    0.00917    0.00308
C7    1    0.666278    0.840883    0.374499    11.00000    0.02737    0.02241 =
         0.02137    0.00159    0.00444   -0.00239
C10   1    0.580471    0.880081    0.476424    11.00000    0.04299    0.02788 =
         0.02701   -0.00151    0.01290    0.00254
AFIX  43
H10   2    0.530534    0.885151    0.507692    11.00000   -1.20000
AFIX   0
C12   1    0.685250    1.005460    0.613763    11.00000    0.08119    0.04468 =
         0.04122   -0.02357    0.00972   -0.00895
AFIX 137
H12A  2    0.747727    0.991545    0.670466    11.00000   -1.50000
H12B  2    0.641865    1.005059    0.660201    11.00000   -1.50000
H12C  2    0.684304    1.070095    0.575642    11.00000   -1.50000
AFIX   0
C13   1    0.861790    0.833144    0.348498    11.00000    0.02315    0.04668 =
         0.03816    0.00710    0.00240   -0.00793
AFIX 137
H13A  2    0.856917    0.903227    0.327867    11.00000   -1.50000
H13B  2    0.915880    0.805424    0.333088    11.00000   -1.50000
H13C  2    0.868447    0.824732    0.436303    11.00000   -1.50000
AFIX   0
C14   1    0.617727    0.627711    0.025090    11.00000    0.03361    0.03989 =
         0.03148   -0.00835    0.01333    0.00053
AFIX 137
H14A  2    0.558724    0.607994    0.033580    11.00000   -1.50000
H14B  2    0.654976    0.569180    0.025561    11.00000   -1.50000
H14C  2    0.606126    0.663148   -0.053349    11.00000   -1.50000
AFIX   0
N1    3    0.715588    0.907247    0.451396    11.00000    0.03894    0.03384 =
         0.03035   -0.00656    0.00544   -0.00905
N2    3    0.692782    0.791691    0.285095    11.00000    0.02048    0.02664 =
         0.02251    0.00011    0.00469   -0.00403
N6    3    0.625640    0.736718    0.200112    11.00000    0.02107    0.02592 =
         0.02258   -0.00220    0.00525   -0.00241
N9    3    0.658228    0.930535    0.516948    11.00000    0.05114    0.02961 =
         0.02698   -0.00855    0.00843   -0.00370
N11   3    0.583092    0.820905    0.384713    11.00000    0.02946    0.02295 =
         0.02342   -0.00171    0.00967   -0.00139
N15B  3    0.500000    0.544268    0.250000    10.50000    0.03649    0.00975 =
         0.03559    0.00000    0.02146    0.00000
N16   3    0.500000    0.897669    0.750000    10.50000    0.03114    0.02940 =
         0.04023    0.00000    0.01684    0.00000
O26   4    0.480251    0.839009    0.669171    10.50000    0.06224    0.12429 =
         0.10614   -0.06302    0.05641   -0.02022
O26A  4    0.461839    0.854797    0.648616    10.25000    0.02410
O26C  4    0.447731    0.890147    0.629933    10.25000    0.03548    0.14237 =
         0.04452    0.05851    0.01662    0.02208
O27   4    0.500000    0.981065    0.750000    10.25000    0.08809
O27A  4    0.462299    0.981309    0.767625    10.25000    0.07035
O30   4    0.547888    0.590741    0.344130    11.00000    0.03639    0.03064 =
         0.03021   -0.00325    0.00531   -0.00234
O31   4    0.500000    0.451518    0.250000    10.50000    0.06525    0.02060 =
         0.04652    0.00000    0.02003    0.00000
ZN1   5    0.500000    0.728750    0.250000    10.50000    0.02034    0.02029 =
         0.02396    0.00000    0.00627    0.00000
PART  2
N15A  3    0.500000    0.534576    0.250000    10.25000    0.01081
HKLF    4




REM  hm_yann_d1znno3_june2021_auto_a.res in C2/c
REM wR2 = 0.0675, GooF = S = 1.070, Restrained GooF = 1.073 for all data
REM R1 = 0.0252 for 2112 Fo > 4sig(Fo) and 0.0278 for all 2217 data
REM 180 parameters refined using 1 restraints

END

WGHT      0.0338      2.6566

REM Highest difference peak  0.380,  deepest hole -0.383,  1-sigma level  0.070
Q1    1   0.5000  0.7870  0.7500  10.50000  0.05    0.38
Q2    1   0.5294  0.9653  0.8336  11.00000  0.05    0.36
Q3    1   0.5478  0.9572  0.8249  11.00000  0.05    0.34
Q4    1   0.7141  0.7096  0.1401  11.00000  0.05    0.29
Q5    1   0.5299  0.8583  0.7764  11.00000  0.05    0.28
;
_shelx_res_checksum              29790

_shelx_hkl_file                  
;
 -25  -3   2    1.46    1.95
 -24   0   0   29.75    2.87
 -24  -2   0    9.90    2.10
 -24  -2   1    6.54    2.13
 -24  -2  12   -0.64    1.78
 -24  -4   0    0.43    1.76
 -24  -4   1    2.94    1.84
 -24  -4   2    5.15    1.87
 -24  -4   9    3.08    1.93
 -24  -4  10    4.28    1.99
 -24  -4  11    1.53    1.87
 -24  -6   7   20.97    2.53
 -24  -6   8    2.31    1.91
 -24  -6   9   12.46    2.33
 -23  -1  -2    4.71    2.14
 -23  -1  -1    9.61    2.24
 -23   1  -1   13.35    2.37
 -23  -1   0    1.89    1.94
 -23  -1  11   12.56    1.95
 -23  -1  12    0.45    1.57
 -23  -1  13   15.14    2.10
 -23  -1  14    2.29    1.70
 -23  -3  -2    5.69    1.95
 -23  -3  -1    2.76    1.92
 -23  -3   0    3.24    1.79
 -23  -3   1   14.19    2.20
 -23  -3   9   10.89    2.04
 -23  -3  10    9.88    1.96
 -23  -3  11   10.78    1.97
 -23  -3  12    2.39    1.76
 -23  -3  13    5.02    1.89
 -23  -5  -2    7.34    1.95
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  -9  -1 -12    2.11    1.62
  -9  -1 -11    8.31    1.71
  -9   1 -11   10.25    1.76
  -9   1 -10    8.38    1.59
  -9  -1 -10    4.99    1.48
  -9  -1  -9   43.46    2.49
  -9   1  -9   40.66    2.44
  -9   1  -8   40.68    2.29
  -9  -1  -8   33.47    2.13
  -9  -1  -7   57.48    2.52
  -9   1  -7   58.46    2.54
  -9  -1  -6    0.19    1.03
  -9   1  -6    0.76    1.02
  -9  -1  -5  441.80    8.80
  -9   1  -5  443.25    8.86
  -9  -1  -4   75.78    2.56
  -9   1  -4   75.62    2.60
  -9   1   0   61.16    1.49
  -9   1   1    9.19    0.53
  -9  -1   1    9.46    0.89
  -9   1   2    2.99    0.74
  -9  -1   2    2.11    0.74
  -9  -1   3   49.08    1.64
  -9   1   3   50.63    1.64
  -9  -1   4   60.05    1.88
  -9   1   4   61.17    1.15
  -9   1   4   56.06    1.76
  -9  -1   4   56.85    1.78
  -9  -1   5  256.79    4.49
  -9  -1   5  249.87    4.29
  -9   1   5  243.21    4.38
  -9  -1   5  258.05    5.13
  -9   1   5  251.15    4.91
  -9  -1   6  109.97    2.83
  -9  -1   6  113.63    2.38
  -9  -1   6  112.65    2.61
  -9   1   6  110.37    2.64
  -9  -1   6  110.57    2.05
  -9  -1   7    2.74    0.40
  -9   1   7    4.60    0.56
  -9  -1   7    3.49    0.63
  -9   1   7    3.03    0.67
  -9  -1   7    2.24    0.57
  -9  -1   7    3.34    0.84
  -9  -1   7    2.75    0.50
  -9  -1   8   95.91    2.24
  -9  -1   8   92.22    2.63
  -9  -1   8   92.85    2.35
  -9  -1   8   93.54    2.05
  -9   1   8   93.25    2.16
  -9  -1   8   96.65    2.33
  -9  -1   9    9.65    0.83
  -9  -1   9    9.65    1.11
  -9  -1   9    9.37    0.71
  -9   1   9   10.32    0.71
  -9  -1   9    8.68    0.77
  -9  -1  10    4.01    0.83
  -9  -1  10    2.77    0.89
  -9  -1  10    4.39    0.66
  -9  -1  11   26.19    1.49
  -9  -1  11   27.50    1.22
  -9  -1  11   24.76    1.38
  -9  -1  11   25.56    1.56
  -9   1  12    1.31    1.04
  -9  -1  12    0.09    0.95
  -9  -1  12    0.17    0.90
  -9  -1  12   -0.26    0.75
  -9  -1  12    0.30    0.89
  -9  -1  13  115.65    3.60
  -9   1  13  111.11    3.65
  -9  -1  13  110.84    3.42
  -9   1  13  115.37    3.36
  -9  -1  13  114.43    3.33
  -9  -1  14   10.70    1.36
  -9  -1  14    9.07    1.38
  -9   1  14   10.42    1.61
  -9  -1  14    9.42    1.37
  -9   1  14    8.05    1.32
  -9  -1  15   10.73    1.53
  -9   1  15   13.00    1.50
  -9   1  15   10.22    1.67
  -9  -1  15    9.80    1.58
  -9  -1  15   15.81    1.60
  -9  -1  16    1.15    1.33
  -9   1  16    2.85    1.38
  -9  -1  16    2.51    1.51
  -9  -1  16    0.63    1.32
  -9   1  16    0.70    1.56
  -9   1  17   13.11    1.78
  -9  -1  17   13.63    1.79
  -9  -1  17   11.23    1.84
  -9   1  17   13.83    2.09
  -9  -1  17   12.97    1.96
  -9   1  18    7.02    1.64
  -9  -1  18    3.62    1.64
  -9  -1  18    2.94    1.63
  -9   1  18    3.43    1.56
  -9   1  18    3.52    1.94
  -9  -1  18    5.18    1.89
  -9  -1  19   18.39    2.17
  -9   1  19   20.44    2.24
  -9  -1  19   17.54    2.35
  -9   1  19   20.52    2.45
  -9   1  19   19.01    2.20
  -9  -1  19   20.67    2.29
  -9   3 -13    7.28    1.91
  -9   3 -12    1.92    1.65
  -9   3 -11   20.43    2.06
  -9  -3 -11   17.61    1.97
  -9  -3 -10    6.84    1.53
  -9   3 -10    5.88    1.55
  -9  -3  -9   14.09    1.68
  -9   3  -9   17.98    1.78
  -9   3  -8    1.77    1.23
  -9  -3  -8    1.17    1.28
  -9  -3  -7  108.81    3.53
  -9   3  -7  100.26    3.45
  -9   3  -6   13.37    1.49
  -9  -3  -6   10.65    1.37
  -9   3  -5   72.29    2.64
  -9  -3  -5   74.35    2.60
  -9  -3  -4   61.44    2.27
  -9  -3  -3  591.88   10.86
  -9   3  -2    3.84    0.71
  -9  -3  -2    5.50    0.68
  -9   3  -1  231.73    4.52
  -9  -3  -1  231.30    4.39
  -9   3   0   22.46    0.98
  -9  -3   0   23.41    0.86
  -9  -3   1  165.97    3.09
  -9  -3   2    9.86    0.82
  -9  -3   3   79.46    2.18
  -9  -3   4    0.05    0.66
  -9   3   4    0.09    0.63
  -9  -3   5    0.62    0.67
  -9   3   5    0.98    0.60
  -9  -3   5    1.08    0.62
  -9  -3   6    6.49    0.90
  -9   3   6    6.98    0.75
  -9  -3   6    7.00    0.69
  -9  -3   6    6.47    0.76
  -9  -3   7  126.03    2.89
  -9  -3   7  127.71    3.23
  -9  -3   7  125.85    2.60
  -9   3   7  128.03    2.86
  -9  -3   7  130.26    3.02
  -9   3   8  116.71    2.65
  -9   3   8  117.30    2.36
  -9  -3   8  110.49    2.80
  -9  -3   8  112.84    2.53
  -9  -3   8  114.30    2.48
  -9  -3   8  114.43    3.07
  -9  -3   9   10.62    0.96
  -9   3   9    9.86    0.58
  -9  -3   9    9.40    0.78
  -9  -3   9    8.06    1.11
  -9  -3   9    9.75    0.84
  -9   3   9    9.76    0.82
  -9  -3   9    7.58    0.95
  -9  -3  10   40.94    1.46
  -9  -3  10   44.36    1.80
  -9   3  10   44.45    1.47
  -9  -3  10   47.90    1.87
  -9  -3  11  132.17    3.46
  -9  -3  11  129.59    3.52
  -9  -3  11  126.28    3.04
  -9   3  11  130.31    2.91
  -9  -3  11  132.85    3.30
  -9  -3  12   12.44    1.05
  -9  -3  12   11.66    1.19
  -9  -3  12   11.67    1.27
  -9   3  12   10.28    1.39
  -9  -3  12   11.65    1.28
  -9  -3  13   24.40    1.66
  -9  -3  13   19.11    1.62
  -9   3  13   20.67    1.80
  -9  -3  13   20.72    1.55
  -9  -3  14    1.58    1.10
  -9  -3  14    1.10    1.20
  -9   3  14    3.88    1.41
  -9   3  15   21.37    2.15
  -9  -3  15   20.44    1.78
  -9  -3  15   21.91    1.87
  -9  -3  15   20.93    1.75
  -9  -3  16    1.81    1.30
  -9   3  16    0.62    1.39
  -9  -3  16    0.83    1.35
  -9   3  16    0.60    1.56
  -9  -3  16   -0.13    1.34
  -9  -3  17   10.84    1.73
  -9   3  17    5.88    1.61
  -9   3  17    8.33    1.91
  -9  -3  17    5.27    1.69
  -9  -3  17    6.17    1.62
  -9   3  18    1.88    1.82
  -9  -3  18    1.89    1.69
  -9  -3  18    1.64    1.67
  -9   3  18   -0.57    1.63
  -9   3  19   26.19    2.35
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  -9   5 -12    4.26    1.72
  -9   5 -11    7.29    1.61
  -9   5 -10   10.53    1.69
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  -9   5  -9    9.21    1.66
  -9   5  -8    4.56    1.36
  -9  -5  -8    2.68    1.31
  -9   5  -7   80.31    3.07
  -9  -5  -7   88.36    3.09
  -9   5  -6  100.48    3.31
  -9  -5  -6   98.70    3.22
  -9  -5  -5  107.41    3.16
  -9  -5  -5   96.78    2.88
  -9  -5  -4   81.57    2.59
  -9  -5  -4   79.56    2.41
  -9   5  -4   80.90    2.52
  -9  -5  -3  175.66    4.07
  -9  -5  -3  174.05    3.86
  -9   5  -3  172.39    4.02
  -9  -5  -2  278.73    5.41
  -9  -5  -1  115.44    2.75
  -9  -5  -1  107.46    2.55
  -9  -5   0  246.94    4.83
  -9  -5   1  318.85    6.06
  -9  -5   2  219.60    4.52
  -9   5   2  221.69    3.88
  -9  -5   3   26.48    1.27
  -9   5   3   27.24    0.78
  -9  -5   4  189.24    4.16
  -9  -5   4  195.10    4.19
  -9  -5   5   61.26    2.03
  -9  -5   5   61.00    1.96
  -9  -5   6  151.63    3.70
  -9  -5   6  158.29    3.62
  -9  -5   7   39.20    1.73
  -9  -5   7   41.36    1.62
  -9   5   8  198.60    3.50
  -9  -5   8  189.30    4.33
  -9  -5   8  196.31    4.37
  -9  -5   8  195.27    4.55
  -9  -5   9  105.45    2.95
  -9   5   9  109.44    2.43
  -9  -5  10  151.72    3.93
  -9   5  10  162.26    3.23
  -9  -5  11   12.77    1.04
  -9  -5  11   13.91    1.35
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  -9   5  13    6.93    1.50
  -9  -5  13    4.95    1.15
  -9  -5  14    0.79    1.15
  -9   5  14    0.70    1.43
  -9  -5  14    1.27    1.13
  -9  -5  15   40.75    2.13
  -9  -5  15   41.92    2.41
  -9  -5  16    5.25    1.46
  -9  -5  16    2.82    1.53
  -9   5  16    5.14    1.85
  -9  -5  17   31.32    2.40
  -9   5  17   23.31    2.50
  -9   5  17   25.23    2.22
  -9  -5  18    2.15    1.69
  -9   5  18    2.66    1.65
  -9   5  18   -1.25    1.88
  -9   7 -16    2.22    1.65
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  -9   7 -12    4.62    1.76
  -9   7 -11    1.17    1.56
  -9   7 -10    1.23    1.33
  -9   7  -9    3.59    1.44
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  -9   7  -7    8.95    1.43
  -9  -7  -7    9.84    1.44
  -9   7  -6  113.29    3.45
  -9  -7  -6   99.96    3.26
  -9  -7  -6  109.26    3.26
  -9   7  -6  100.54    3.42
  -9  -7  -5   65.70    2.37
  -9  -7  -5   62.83    2.31
  -9   7  -5   60.79    2.43
  -9  -7  -4  265.84    5.70
  -9   7  -4  267.87    5.86
  -9  -7  -4  260.84    5.62
  -9  -7  -3    2.66    0.84
  -9   7  -3    3.31    0.92
  -9  -7  -3    4.14    0.91
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  -9  -7   0   37.32    1.41
  -9  -7   1   53.03    1.48
  -9   7   1   54.34    1.42
  -9  -7   1   51.75    1.72
  -9  -7   1   49.12    1.88
  -9  -7   2  418.45    7.26
  -9  -7   2  418.76    7.83
  -9   7   2  420.37    7.29
  -9  -7   2  425.68    8.02
  -9  -7   3   15.06    1.11
  -9  -7   3   14.37    1.13
  -9  -7   4  489.13    9.16
  -9  -7   4  492.17    9.14
  -9  -7   5    1.58    0.86
  -9  -7   6  177.87    4.15
  -9  -7   7   11.25    0.69
  -9  -7   7   11.02    1.15
  -9  -7   8   64.86    1.66
  -9  -7   8   60.17    2.20
  -9   7   8   62.05    1.22
  -9  -7   9   43.49    1.43
  -9  -7  10   57.80    2.34
  -9  -7  11    3.25    1.12
  -9  -7  12   77.80    2.91
  -9  -7  13    1.12    1.22
  -9   7  13    1.10    1.29
  -9  -7  14   10.32    1.60
  -9   7  14   13.49    1.90
  -9  -7  15   10.80    1.63
  -9   7  15    8.38    1.90
  -9  -7  16    1.57    1.51
  -9   7  16    3.22    1.76
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  -9   7  17   15.23    2.32
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  -9   9 -15    0.31    1.65
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  -9   9 -11    1.86    1.66
  -9   9 -10    3.24    1.53
  -9   9  -9    1.28    1.33
  -9  -9  -8   23.11    1.86
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  -9  -9  -6   34.85    1.94
  -9   9  -6   37.21    2.10
  -9   9  -6   34.96    2.16
  -9   9  -5    2.14    1.03
  -9  -9  -5    5.09    1.07
  -9   9  -4   67.37    2.58
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  -9  -9  -4   67.89    2.32
  -9   9  -3   32.60    1.81
  -9  -9  -3   29.45    1.47
  -9  -9  -3   28.85    1.47
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  -9  -9  -2   94.90    2.30
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  -9  -9  -1  125.42    3.20
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  -9  -9   0   26.22    1.49
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  -9  -9   1  107.42    2.82
  -9  -9   1  111.51    3.07
  -9  -9   1  114.13    2.34
  -9   9   1  115.86    2.63
  -9  -9   2   87.16    2.60
  -9  -9   2   82.94    1.69
  -9   9   2   82.96    2.11
  -9  -9   3   69.20    2.34
  -9  -9   4  123.84    3.34
  -9  -9   5    7.62    1.07
  -9  -9   6  153.38    3.93
  -9  -9   7   59.08    2.24
  -9   9  13    1.02    1.38
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  -9   9  14   19.25    2.16
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  -9   9  15   -0.33    1.64
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  -9   9  16    0.88    1.82
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  -9  11 -11    1.24    1.59
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  -9 -11  -8   48.00    2.50
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  -9 -11  -7    0.57    1.28
  -9 -11  -6   50.95    2.44
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  -9  11  -6   51.67    2.60
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  -9 -11  -5    2.14    1.10
  -9  11  -5    3.71    1.26
  -9 -11  -4  139.99    3.64
  -9  11  -4  148.54    4.24
  -9 -11  -4  138.84    3.90
  -9 -11  -3    8.55    1.04
  -9 -11  -3   10.22    1.19
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  -9 -11  -2  246.24    4.82
  -9 -11  -2  239.62    5.18
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  -9 -11  -1    0.05    0.74
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  -9 -11   0  430.48    8.62
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  -9  11   1   35.56    1.49
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  -9  11   2   88.74    2.51
  -9 -11   3    4.05    1.08
  -9  11   3    5.15    0.90
  -9 -11   4  175.22    4.37
  -9 -11   5   24.23    1.59
  -9 -11   6  141.31    3.87
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  -9  11  13    1.38    1.57
  -9  11  14   22.39    2.32
  -9  11  15   -0.35    1.82
  -9  11  16    6.17    2.10
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  -8  -6  -2  141.13    3.20
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  -8   6   2  311.86    5.47
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  -8   8   1  251.41    4.80
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  -7  -1   5 1016.60   16.18
  -7  -1   5 1001.96   16.59
  -7  -1   5  984.33   16.83
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  -4 -10  -4    9.79    0.85
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  -4  10  -3   76.57    2.40
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  -4  10  -2   88.40    2.53
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  -4  10  -1  264.62    5.46
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  -3  -1   2   60.43    1.38
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  -3  -1   4  125.24    2.39
  -3   1   4  125.76    2.20
  -3   1   4  124.48    2.46
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  -3   1   5   45.95    1.24
  -3  -1   5   41.70    1.30
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  -3   1   6  128.97    2.76
  -3  -1   6  132.54    2.78
  -3  -1   6  129.82    2.88
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  -3  -3  -5 1012.98   17.13
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  -3   3  -4   19.40    1.08
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  -3  -3  -2  276.70    5.17
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  -3  -3   3   80.20    1.81
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  -3  -3   4  300.40    5.32
  -3  -3   4  294.50    5.19
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  -3  -3   5  263.66    4.86
  -3  -3   5  276.10    5.09
  -3  -3   6  228.37    4.12
  -3  -3   6  220.91    4.20
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  -3  -3   7  314.80    5.89
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   0  -2   2 2594.04   41.96
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   0   2   3  354.02    6.30
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   0  -2   6   79.18    2.14
   0   2   6   79.97    1.56
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   0   2   6   78.99    2.06
   0   2   6   83.17    2.24
   0   2   7    4.84    0.39
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   0   2   8   46.76    1.13
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   0  -2   8   47.27    1.73
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   0   2  14    4.00    1.42
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   0   2  16    8.33    1.82
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   0   4   0   81.79    1.68
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   0  -4   2 4112.39   66.06
   0   4   3   32.24    1.08
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   0   4   4  575.27    9.88
   0  -4   4  563.02    9.88
   0   4   5   70.80    1.27
   0   4   5   72.77    2.01
   0  -4   5   73.97    2.00
   0   4   6  764.76   12.41
   0   4   7    0.65    0.32
   0  -4   7   -0.24    0.64
   0   4   8   53.26    2.07
   0  -4   8   51.44    1.95
   0  -4   8   56.63    2.02
   0   4   9    0.95    0.99
   0  -4   9   -0.79    0.92
   0  -4   9    1.19    0.85
   0   4  10    2.46    1.11
   0  -4  10    3.58    1.04
   0  -4  10    3.42    1.00
   0  -4  11   38.44    2.05
   0  -4  11   34.55    1.98
   0   4  11   38.92    2.13
   0  -4  12   44.78    2.27
   0   4  12   40.40    2.34
   0  -4  12   44.19    2.29
   0  -4  13    4.58    1.37
   0  -4  13    6.10    1.44
   0   4  13    5.37    1.57
   0  -4  14    9.14    1.63
   0   4  14    8.98    1.64
   0  -4  14   11.21    1.77
   0   4  14   14.65    2.05
   0  -4  15   15.32    1.92
   0   4  15   18.42    2.11
   0   4  15   15.70    2.25
   0  -4  16   12.33    2.05
   0   4  16   22.44    2.25
   0   4  17    3.22    1.88
   0  -4  17    3.74    1.77
   0   6 -15   17.76    1.64
   0   6 -13   25.40    1.69
   0   6 -12   61.70    2.39
   0   6 -11   32.77    1.75
   0   6 -10   68.65    2.36
   0  -6 -10   65.55    2.47
   0   6  -9   76.10    2.44
   0  -6  -9   82.65    2.62
   0  -6  -8    3.36    0.86
   0  -6  -8    3.42    0.26
   0  -6  -7   11.00    0.98
   0   6  -7   12.15    1.05
   0   6  -7   10.56    0.90
   0  -6  -7   11.67    0.42
   0   6  -6   34.84    1.28
   0  -6  -6   34.25    1.41
   0   6  -6   35.59    1.50
   0  -6  -6   35.49    0.79
   0  -6  -6   34.93    0.81
   0   6  -5   71.16    1.78
   0  -6  -5   71.03    1.43
   0  -6  -4 1464.19   23.61
   0   6  -4 1468.13   24.25
   0   6  -4 1434.49   23.86
   0   6  -4 1488.22   24.24
   0   6  -3   75.26    1.67
   0  -6  -3   76.66    1.61
   0   6  -3   77.34    2.02
   0   6  -2  125.74    2.72
   0   6  -2  125.35    2.79
   0   6  -1  116.18    2.51
   0   6   0  319.95    5.71
   0   6   1  114.40    2.35
   0   6   2  123.87    2.43
   0  -6   4 1485.37   24.77
   0   6   4 1501.47   24.69
   0   6   5   70.55    2.03
   0   6   7   13.10    1.18
   0  -6   7   11.25    1.08
   0   6   8    2.87    0.99
   0  -6   8    4.46    0.96
   0   6   9   79.27    2.81
   0  -6   9   87.41    2.82
   0   6  10   67.72    2.73
   0  -6  10   67.27    2.62
   0   6  11   32.64    2.11
   0  -6  11   33.28    2.05
   0  -6  12   66.55    2.84
   0   6  12   60.63    2.83
   0  -6  13   21.32    1.99
   0   6  13   23.04    2.11
   0  -6  14    7.10    1.67
   0   6  14   11.07    1.99
   0  -6  15   18.11    2.09
   0   6  15   20.25    2.46
   0   6  15   19.30    2.09
   0  -6  16   -1.14    1.69
   0   6  16    1.31    1.76
   0  -6  17   18.80    2.38
   0   6  17   24.87    2.50
   0   8 -16    1.42    1.32
   0   8 -15   13.16    1.70
   0   8 -14   11.91    1.54
   0   8 -11   30.15    1.81
   0  -8 -11   30.62    1.97
   0  -8 -10    3.06    1.15
   0   8 -10    0.88    0.98
   0  -8  -9   82.94    2.79
   0   8  -9   84.34    2.77
   0   8  -9   81.47    2.46
   0  -8  -8    1.01    0.90
   0   8  -8    0.51    0.95
   0   8  -8    0.69    0.87
   0  -8  -7   88.61    2.66
   0   8  -7   89.38    2.30
   0   8  -7   88.79    2.69
   0   8  -7   91.45    2.77
   0   8  -6   15.11    0.92
   0   8  -6   16.38    1.16
   0   8  -6   13.99    1.14
   0   8  -5   28.02    1.35
   0   8  -5   28.72    1.38
   0   8  -5   27.24    1.01
   0   8  -4  155.13    3.05
   0  -8  -4  156.60    2.72
   0   8  -4  164.10    3.62
   0   8  -3   18.59    1.03
   0   8  -2   13.82    0.91
   0   8  -1  470.33    8.40
   0   8   0    3.81    0.61
   0   8   1  472.58    8.26
   0   8   2   13.65    0.71
   0   8   4  163.89    3.53
   0  -8   5   26.18    1.42
   0  -8   6   17.83    1.28
   0   8   6   16.16    1.21
   0  -8   7   91.82    2.79
   0   8   7   85.74    2.70
   0  -8   8   -0.78    0.89
   0   8   8   -0.60    1.02
   0   8   9   81.08    2.92
   0  -8   9   81.02    2.86
   0   8  10    4.00    1.27
   0  -8  10    5.06    1.19
   0   8  11   30.90    2.12
   0  -8  11   29.53    2.01
   0   8  12    4.18    1.50
   0  -8  12    3.02    1.31
   0   8  13   30.24    2.45
   0  -8  13   27.56    2.15
   0   8  14    9.70    2.05
   0  -8  14   15.64    2.02
   0   8  15   15.82    2.42
   0  -8  15   12.48    1.93
   0   8  16   -0.18    2.12
   0  -8  16    1.51    1.81
   0  10 -17    4.40    1.53
   0  10 -16    8.60    1.65
   0  10 -15   39.57    2.52
   0  10 -14    2.08    1.44
   0  10 -13    4.95    1.49
   0  10 -12   12.99    1.57
   0 -10 -12   16.63    1.79
   0 -10 -11   38.80    2.24
   0 -10 -10   -0.84    1.11
   0  10 -10    1.30    1.16
   0 -10  -9   47.93    2.19
   0  10  -9   46.72    2.24
   0  10  -9   42.88    2.15
   0  10  -8    9.20    1.31
   0 -10  -8   12.27    1.26
   0  10  -8   13.67    1.40
   0  10  -7  113.25    3.39
   0  10  -7  112.33    2.65
   0 -10  -7  116.73    2.26
   0  10  -7  113.82    3.35
   0  10  -6   12.35    1.23
   0  10  -6   11.36    0.83
   0  10  -6   11.54    1.17
   0  10  -5   65.04    1.68
   0  10  -5   61.76    2.25
   0  10  -5   66.20    2.29
   0  10  -4   48.13    1.28
   0  10  -4   44.57    1.81
   0  10  -4   43.62    1.87
   0  10  -3  116.42    3.03
   0  10  -3  118.87    3.10
   0  10  -2   21.67    1.29
   0  10  -2   22.26    1.22
   0  10  -1  433.68    8.20
   0  10  -1  426.64    7.96
   0  10   0   23.19    1.14
   0  10   1  418.54    7.61
   0  10   2   21.72    1.00
   0  10   3  112.18    2.65
   0  10   6   10.34    1.15
   0  10   7  111.17    3.23
   0  10   8   13.29    1.37
   0 -10   8   11.31    1.42
   0 -10   9   46.71    2.29
   0  10   9   41.12    2.15
   0 -10  10   -1.41    1.31
   0  10  10    0.79    1.18
   0 -10  11   44.20    2.46
   0  10  11   37.13    2.33
   0 -10  12   16.71    1.89
   0  10  12   13.11    1.84
   0 -10  13   11.61    1.79
   0  10  13    5.66    1.84
   0 -10  14    0.93    1.70
   0  10  14    1.60    1.87
   0 -10  15   45.72    3.00
   0  10  15   38.28    3.12
   0  12 -18    1.44    1.54
   0  12 -17    2.69    1.60
   0  12 -16   -0.15    1.65
   0  12 -15    3.04    1.65
   0  12 -14    0.44    1.42
   0  12 -13   33.40    2.34
   0  12 -12    2.17    1.32
   0 -12 -12    4.35    1.55
   0  12 -11    2.56    1.36
   0 -12 -11    2.74    1.38
   0  12 -10   -1.34    1.23
   0 -12 -10    1.61    1.20
   0  12  -9   10.13    1.47
   0 -12  -9    9.70    1.36
   0 -12  -8    1.31    1.13
   0  12  -8    2.48    1.19
   0  12  -8    3.76    1.20
   0  12  -7    3.66    1.17
   0  12  -7    4.04    1.17
   0  12  -6   13.60    1.40
   0  12  -6   16.59    0.85
   0  12  -6   14.83    1.43
   0  12  -5   93.42    2.89
   0  12  -5   96.71    3.02
   0  12  -5  100.03    3.04
   0  12  -5   98.09    1.97
   0  12  -4  183.75    3.48
   0  12  -4  191.69    4.53
   0  12  -4  193.21    4.66
   0  12  -3   34.66    1.69
   0  12  -3   32.53    1.01
   0  12  -3   34.30    1.73
   0  12  -2   27.36    1.46
   0  12  -2   30.90    1.68
   0  12  -1  101.83    2.80
   0  12  -1  102.88    3.05
   0  12   0   -0.42    0.75
   0  12   1  100.79    2.65
   0  12   3   34.80    1.38
   0  12   5   94.53    2.72
   0  12   6   15.94    1.30
   0  12   7    6.38    1.17
   0  12   8    0.95    1.04
   0  12   9   13.25    1.56
   0  12  10    1.43    1.32
   0  12  11   -0.13    1.44
   0  12  12    5.01    1.72
   0  12  13   32.00    2.57
   0  12  14    2.10    1.94
   0  12  15    7.72    2.20
   0  14 -18   -0.31    1.68
   0  14 -17    0.97    1.80
   0  14 -16    1.16    1.73
   0  14 -15   -2.82    1.81
   0  14 -14    1.32    1.57
   0 -14 -14    1.90    1.74
   0  14 -13   15.10    2.03
   0 -14 -13   19.54    2.22
   0  14 -12    2.16    1.58
   0  14 -11   18.24    1.94
   0  14 -10    2.57    1.31
   0  14 -10    0.70    1.32
   0 -14 -10    0.76    1.31
   0  14  -9    2.94    1.33
   0  14  -9    4.21    1.34
   0 -14  -9    5.17    1.35
   0  14  -8    1.33    1.24
   0  14  -8    1.73    1.19
   0  14  -7   12.82    1.52
   0  14  -6   -0.33    1.14
   0  14  -5   61.20    2.64
   0  14  -5   60.51    2.55
   0  14  -5   61.95    2.61
   0  14  -4   12.13    1.33
   0  14  -4    9.76    1.34
   0  14  -3  220.37    5.22
   0  14  -3  219.00    5.37
   0  14  -2    2.92    1.15
   0  14  -2    2.55    0.96
   0  14  -1  118.99    3.29
   0  14  -1  118.67    3.60
   0  14   0    5.61    0.95
   0  14   1  120.34    3.18
   0  14   1  121.11    2.63
   0  14   2    2.23    0.68
   0  14   4   12.64    1.06
   0  14   5   57.12    2.09
   0  14   6    2.09    1.08
   0  14   7    9.98    1.31
   0  14   8   -0.69    1.27
   0  14   9    6.70    1.47
   0  14  10   -1.70    1.56
   0  14  11   18.49    2.07
   0  14  12    3.40    1.76
   0  14  13   17.72    2.31
   0  14  14    2.72    1.93
   0  16 -18    0.63    1.76
   0  16 -17   -2.04    2.02
   0  16 -16    1.24    1.74
   0  16 -15    7.16    1.93
   0  16 -14   -0.18    1.66
   0 -16 -14    0.37    1.83
   0  16 -13    3.69    1.79
   0 -16 -13   -0.18    1.77
   0  16 -12    7.24    1.80
   0 -16 -12    7.40    1.90
   0  16 -11   13.38    2.00
   0 -16 -11    8.48    1.83
   0  16 -10   36.62    2.60
   0  16 -10   33.17    2.52
   0  16  -9    0.84    1.47
   0  16  -9    1.51    1.32
   0  16  -8   -1.14    1.35
   0  16  -8    0.14    1.37
   0  16  -7   24.27    1.95
   0  16  -7   22.51    1.97
   0  16  -6   22.00    1.88
   0  16  -6   18.59    1.90
   0  16  -5   58.18    2.73
   0  16  -5   59.20    2.77
   0  16  -4    9.99    1.52
   0  16  -3   92.44    3.20
   0  16  -3  104.78    3.57
   0  16  -2  106.52    3.32
   0  16  -2   95.07    3.48
   0  16  -1   36.52    1.91
   0  16  -1   38.55    2.19
   0  16   0   42.27    1.94
   0  16   0   37.44    2.25
   0  16   6   17.60    1.45
   0  16   7   18.00    1.55
   0  16   8    0.20    1.30
   0  16   9    1.88    1.43
   0  16  10   35.95    2.39
   0  16  11    7.65    1.80
   0  16  12    7.08    1.84
   0  16  13    2.64    1.94
   0  18 -17    1.20    1.79
   0  18 -16    2.55    1.96
   0  18 -15    2.07    1.91
   0  18 -14    8.17    2.06
   0 -18 -14    3.09    1.95
   0  18 -13   -0.38    1.69
   0 -18 -13    1.50    1.89
   0  18 -12    2.98    1.76
   0 -18 -12    1.46    1.80
   0  18 -11    0.18    1.68
   0 -18 -11    0.35    1.66
   0  18 -10    4.03    1.65
   0 -18 -10    3.33    1.61
   0  18 -10    4.87    1.78
   0  18  -9    2.59    1.69
   0  18  -9    3.02    1.56
   0 -18  -9    6.19    1.68
   0  18  -8   19.55    2.12
   0  18  -8   21.14    2.13
   0  18  -7    0.57    1.39
   0  18  -7    2.58    1.34
   0  18  -6   16.22    1.94
   0  18  -6   15.40    1.83
   0  18  -5   31.85    2.40
   0  18  -5   25.86    2.11
   0  18  -5   29.63    2.31
   0  18  -4   19.69    2.04
   0  18  -4   22.69    1.93
   0  18  -3   22.77    2.10
   0  18  -3   24.44    1.87
   0  18  -2   33.02    2.26
   0  18  -1   22.38    2.05
   0  18   0   37.49    2.42
   0  18   1   17.69    1.98
   0  20 -15   -0.76    1.96
   0  20 -14    1.76    1.93
   0 -20 -14    0.59    1.93
   0  20 -13    1.19    1.91
   0 -20 -13    1.17    1.85
   0  20 -12    4.35    1.92
   0 -20 -12    3.85    1.92
   0  20 -11   -0.39    1.88
   0 -20 -11    0.93    1.73
   0  20 -10    2.29    1.69
   0 -20 -10    1.28    1.70
   0 -20  -9    3.36    1.73
   0  20  -9    2.94    1.73
   0  20  -8    3.80    1.81
   0  20  -8    5.13    1.60
   0  20  -7    4.53    1.78
   0  20  -7    6.28    1.73
   0  20  -6    2.60    1.73
   0  20  -6    1.94    1.63
   0  20  -5    0.15    1.50
   0  20  -5   -0.16    1.64
   0  20  -5    0.31    1.49
   0  20  -4   16.61    2.17
   0  20  -4   17.57    2.01
   0  20  -3    7.52    1.82
   0  20  -3    9.26    1.61
   0  20  -2    1.20    1.65
   0  20  -1   34.00    2.52
   0  20   0   13.16    1.97
   0  20   1   33.17    2.51
   0  20   2    2.16    1.65
   0 -22 -14    7.81    2.17
   0 -22 -13    3.70    2.02
   0  22 -12    5.39    2.10
   0 -22 -12    4.91    2.07
   0  22 -11   -0.20    1.87
   0 -22 -11    0.19    1.93
   0  22 -10    7.53    2.13
   0 -22 -10   11.19    2.24
   0 -22  -9   -1.33    1.77
   0  22  -9   -1.17    1.77
   0 -22  -8    5.77    2.00
   0  22  -8    8.50    1.98
   0  22  -7    0.73    1.70
   0  22  -6   14.16    2.18
   0  22  -4    8.67    2.04
   0  22  -3    0.67    1.79
   0  22  -2   17.37    2.34
   0  22  -1    2.79    1.83
   0  22   0   22.23    2.38
   0  22   1    5.27    1.86
   0  22   2   20.35    2.32
   0  22   3    3.88    1.93
   0 -24 -14    2.09    1.82
   0 -24 -13    1.11    1.93
   0 -24 -12    1.52    1.87
   0 -24 -11    0.19    1.88
   0 -24 -10    0.39    1.86
   0 -24  -9   -0.78    1.91
   0 -24  -8    0.59    1.84
   0 -26 -13    2.59    1.83
   0 -26 -12    1.02    1.97
   0 -26 -11    0.72    1.81
   0 -26 -10    3.32    1.93
   0 -26  -9    4.73    1.94
   0 -26  -8    4.04    1.92
   0 -26  -7    1.16    1.90
   0 -28 -10    2.28    1.86
   0 -28  -9    4.22    1.96
   0 -28  -8    0.53    1.82
   0 -28  -7    0.72    1.84
   0 -28  -6   -2.02    1.92
   0 -30  -5    0.65    1.72
   1   1 -13   45.10    1.64
   1   1 -12    6.24    0.81
   1  -1 -12    6.73    0.73
   1   1 -11   53.58    1.72
   1  -1 -11   56.16    1.57
   1  -1 -10   22.96    0.95
   1   1 -10   21.74    1.07
   1  -1  -4   49.95    1.30
   1   1  -2   30.09    0.72
   1  -1  -2   28.79    0.66
   1  -1  -2   28.02    0.72
   1   1  -1  443.75    7.24
   1   1   1  699.37   11.21
   1  -1   1  666.81   11.22
   1   1   1  694.63   11.11
   1   1   2  844.04   13.77
   1  -1   2  838.26   13.74
   1   1   2  834.19   13.71
   1  -1   3  280.72    4.98
   1   1   3  275.40    5.01
   1   1   3  277.75    4.92
   1  -1   3  279.62    4.96
   1  -1   4    9.12    0.76
   1   1   4    8.03    0.63
   1  -1   4    8.16    0.68
   1   1   4    7.35    0.73
   1  -1   5  340.31    6.34
   1   1   5  346.22    6.25
   1  -1   5  344.80    6.26
   1  -1   5  343.80    6.32
   1   1   5  343.39    6.40
   1  -1   6   54.96    1.72
   1  -1   6   58.04    1.81
   1   1   6   53.11    1.77
   1   1   6   55.20    1.67
   1  -1   6   54.41    1.69
   1   1   7  132.15    3.09
   1  -1   7  133.05    3.11
   1   1   8    6.27    0.87
   1  -1   8    6.62    0.91
   1   1   8    7.10    1.04
   1  -1   8    8.04    1.10
   1  -1   8    5.52    0.92
   1  -1   9   39.47    1.92
   1   1   9   41.91    1.93
   1   1   9   41.41    1.81
   1  -1   9   37.51    1.71
   1   1   9   40.91    1.11
   1   1  10   74.60    2.61
   1  -1  10   73.91    2.57
   1   1  10   73.93    1.67
   1   1  10   72.58    2.70
   1   1  11   14.51    1.60
   1   1  11   15.32    1.43
   1  -1  11   14.95    1.38
   1   1  12   37.64    2.10
   1  -1  12   38.31    2.17
   1   1  12   41.99    2.40
   1  -1  13    6.99    1.43
   1   1  13    4.59    1.34
   1  -1  14    2.72    1.41
   1   1  14   -0.82    1.46
   1  -1  15    8.63    1.80
   1   1  15    6.84    1.71
   1   1  16    1.60    1.65
   1  -1  16   -0.64    1.69
   1  -1  17    7.62    1.98
   1   1  17    8.15    2.06
   1   3 -14    0.27    0.90
   1   3 -13   34.40    1.61
   1   3 -12   11.49    1.05
   1   3 -11   43.84    1.71
   1  -3 -11   44.03    1.14
   1   3 -10   36.05    1.49
   1  -3 -10   37.11    1.01
   1   3  -9  187.41    4.01
   1  -3  -8    1.16    0.69
   1  -3  -7  777.07   13.46
   1  -3  -6   29.73    1.17
   1   3  -6   27.57    1.11
   1  -3  -5  201.76    3.88
   1   3  -5  193.75    3.83
   1   3  -4    0.53    0.42
   1  -3  -4    0.06    0.49
   1   3  -3 1228.98   19.94
   1   3  -3 1218.22   20.12
   1   3  -3 1245.83   20.13
   1   3  -2 2327.73   37.13
   1   3  -2 2287.45   37.40
   1   3  -2 2334.89   37.41
   1   3  -1  107.90    2.08
   1   3   0    1.27    0.19
   1   3   0    0.87    0.32
   1   3   1 3166.42   50.53
   1  -3   1 3140.50   50.63
   1   3   2 2517.76   40.40
   1  -3   2 2498.16   40.43
   1   3   3 1119.35   18.66
   1  -3   3 1126.45   18.65
   1   3   3 1138.54   18.23
   1  -3   4  307.40    5.67
   1   3   4  310.00    5.17
   1   3   4  299.19    5.67
   1   3   5  643.71   11.31
   1  -3   5  656.27   11.29
   1   3   8    0.53    0.93
   1  -3   8    2.05    0.82
   1   3   9    1.20    1.03
   1  -3   9    0.89    0.90
   1  -3  10  148.87    4.04
   1   3  10  148.65    4.12
   1  -3  11    8.54    1.26
   1   3  11   11.31    1.54
   1   3  12    7.21    1.55
   1  -3  12    7.92    1.34
   1   3  12    8.55    1.28
   1   3  13    0.41    1.36
   1   3  13    0.63    1.30
   1  -3  13    0.88    1.28
   1   3  14    1.24    1.39
   1  -3  14    1.50    1.35
   1  -3  14    1.39    1.47
   1   3  15   13.04    1.95
   1  -3  15   14.17    1.98
   1  -3  15   10.76    1.87
   1  -3  16   -0.48    1.58
   1   3  16   -0.64    1.74
   1  -3  17   12.90    2.18
   1   3  17   11.61    2.18
   1   5 -14    3.48    1.05
   1   5 -13   30.55    1.68
   1   5 -12    4.50    1.03
   1   5 -11  154.73    3.84
   1   5 -10   23.80    1.37
   1  -5 -10   23.17    1.52
   1   5  -9   32.13    1.48
   1  -5  -9   28.50    1.57
   1   5  -8   26.41    1.32
   1  -5  -8   28.28    1.42
   1   5  -7   90.24    2.28
   1   5  -7   87.94    2.38
   1  -5  -7   87.83    2.41
   1  -5  -6  179.99    3.82
   1   5  -6  176.69    3.81
   1   5  -6  182.27    3.63
   1   5  -5  155.66    3.34
   1   5  -5  154.04    3.32
   1   5  -5  155.94    3.10
   1   5  -4   12.16    0.84
   1   5  -4   11.48    0.80
   1   5  -4   11.33    0.63
   1   5  -3   35.28    1.18
   1   5  -3   33.38    0.88
   1   5  -3   31.52    1.20
   1   5  -2   39.68    0.84
   1   5  -2   38.04    1.19
   1   5  -2   37.36    1.22
   1   5  -1  599.21   10.12
   1   5   0  100.33    2.09
   1   5   2  463.68    7.93
   1   5   3 1426.81   23.01
   1  -5   3 1371.47   23.08
   1   5   4 1920.72   31.53
   1  -5   4 1930.09   31.55
   1  -5   5    1.79    0.64
   1   5   5    8.27    0.83
   1  -5   7   46.58    1.83
   1   5   7   51.84    1.96
   1   5   8  144.98    2.64
   1  -5   8  144.34    3.71
   1   5   8  139.75    3.75
   1   5   9   13.07    0.59
   1  -5   9   12.10    1.22
   1   5   9   10.29    1.38
   1   5  10   76.67    2.87
   1  -5  10   76.74    2.74
   1   5  11   86.95    3.26
   1  -5  11   86.83    3.12
   1   5  12   39.64    2.45
   1  -5  12   44.29    2.40
   1  -5  13    1.04    1.35
   1   5  13   -0.42    1.49
   1   5  14   15.07    2.13
   1  -5  14   19.63    2.01
   1   5  14   18.27    1.96
   1  -5  15    4.16    1.68
   1   5  15    1.84    1.55
   1  -5  16    3.76    1.73
   1   5  16    4.74    1.78
   1  -5  17    2.39    1.87
   1   5  17    3.80    2.06
   1   7 -16    1.50    1.26
   1   7 -15    0.52    1.15
   1   7 -12    4.29    1.16
   1  -7 -11   41.57    2.09
   1   7 -11   41.05    1.94
   1  -7 -10   92.07    2.98
   1   7 -10   90.31    2.82
   1  -7  -9    3.87    0.96
   1   7  -9    1.65    0.91
   1   7  -8   19.28    1.33
   1   7  -8   20.46    1.31
   1  -7  -8   20.65    1.31
   1   7  -7   46.74    1.80
   1   7  -7   44.22    1.74
   1   7  -7   40.87    1.43
   1  -7  -7   41.20    1.67
   1   7  -6   33.88    1.46
   1   7  -6   34.92    1.49
   1   7  -6   31.74    1.15
   1   7  -5   43.82    1.22
   1   7  -5   38.86    1.52
   1   7  -4   17.53    0.68
   1   7  -4   18.16    0.99
   1   7  -4   17.29    1.01
   1   7  -3   21.42    0.66
   1   7  -3   21.38    1.08
   1   7  -3   21.36    1.03
   1   7  -2  302.66    5.70
   1   7  -2  298.94    5.64
   1   7  -1  236.84    4.55
   1   7   0  842.71   14.15
   1   7   1  203.58    3.89
   1   7   2 1232.81   20.26
   1   7   3  428.27    7.60
   1   7   4  235.50    4.68
   1  -7   6  236.24    5.09
   1  -7   7   34.92    1.68
   1   7   7   35.15    1.68
   1  -7   8  321.22    6.79
   1   7   8  326.04    6.88
   1  -7   9   55.60    2.32
   1   7   9   53.91    2.39
   1  -7  10   71.84    2.76
   1   7  10   62.50    2.70
   1   7  11   14.29    1.72
   1  -7  11   12.10    1.50
   1  -7  12   47.99    2.51
   1   7  12   50.54    2.72
   1  -7  13    8.38    1.61
   1   7  13   10.39    1.92
   1  -7  14    2.34    1.55
   1   7  14    6.30    1.91
   1  -7  15    3.89    1.73
   1   7  16   27.29    2.59
   1  -7  16   30.57    2.57
   1   9 -17    9.74    1.69
   1   9 -16   11.50    1.66
   1   9 -15    1.58    1.34
   1   9 -14   -0.82    1.25
   1   9 -13   22.60    1.87
   1  -9 -12   12.94    1.54
   1   9 -11    0.57    0.97
   1  -9 -11    1.36    1.21
   1   9 -10   10.12    1.32
   1  -9 -10    9.65    1.31
   1  -9  -9    3.06    1.01
   1   9  -9    2.96    1.03
   1   9  -9    1.90    0.99
   1   9  -8   37.36    1.84
   1  -9  -8   35.59    1.75
   1   9  -8   35.24    1.79
   1   9  -7   10.09    1.11
   1   9  -7    8.62    0.77
   1  -9  -7    9.25    0.60
   1   9  -7    9.20    1.10
   1   9  -6   93.98    2.81
   1   9  -6  100.64    2.22
   1   9  -6   95.80    2.82
   1   9  -5   42.23    1.16
   1   9  -5   39.95    1.71
   1   9  -5   40.54    1.67
   1   9  -5   38.13    1.68
   1   9  -4    4.03    0.81
   1   9  -4    3.04    0.42
   1   9  -4    2.26    0.72
   1   9  -3  138.10    3.29
   1   9  -3  136.69    3.35
   1   9  -3  138.59    2.53
   1   9  -2  134.29    3.15
   1   9  -1   41.17    1.47
   1   9   0  153.96    3.34
   1   9   1   79.12    2.03
   1   9   2   54.28    1.50
   1   9   3   54.86    1.64
   1   9   4   47.10    1.63
   1  -9   6  369.84    7.53
   1   9   6  371.07    7.31
   1  -9   7   49.11    2.14
   1   9   7   47.22    2.02
   1  -9   8   35.70    1.91
   1   9   8   36.25    1.90
   1  -9   9   10.76    1.38
   1   9   9   11.18    1.37
   1  -9  10   16.49    1.65
   1   9  10   14.20    1.65
   1  -9  11    0.24    1.29
   1   9  11   -0.12    1.36
   1  -9  12    5.98    1.51
   1   9  12    5.88    1.65
   1  -9  13   14.19    1.86
   1   9  13   15.58    2.01
   1  -9  14   30.80    2.50
   1   9  14   27.23    2.63
   1  -9  15    1.30    1.72
   1  -9  16    5.11    2.03
   1  11 -18    2.59    1.56
   1  11 -17    1.26    1.49
   1  11 -16   21.63    2.18
   1  11 -15    3.35    1.49
   1  11 -14   20.12    2.04
   1  11 -13    1.82    1.33
   1 -11 -13    4.10    1.57
   1 -11 -12   26.23    1.99
   1  11 -12   26.42    2.01
   1 -11 -11    0.12    1.28
   1 -11 -10   18.86    1.67
   1 -11  -9    9.17    1.31
   1  11  -9    9.52    1.30
   1  11  -9    8.60    1.36
   1 -11  -8  105.59    3.27
   1  11  -8  101.67    3.24
   1  11  -8   97.80    3.24
   1  11  -7   11.25    1.27
   1  11  -7   10.95    1.29
   1  11  -6  219.32    5.20
   1  11  -6  227.71    4.19
   1  11  -6  229.91    5.27
   1  11  -5   35.86    1.75
   1  11  -5   38.04    1.84
   1  11  -5   34.46    0.99
   1  11  -5   33.90    1.77
   1  11  -4  188.22    4.36
   1  11  -4  180.45    3.27
   1  11  -4  185.03    4.41
   1  11  -3   16.42    1.20
   1  11  -3   17.68    0.60
   1  11  -2  265.26    5.59
   1  11  -2  254.27    5.41
   1  11  -1   49.69    1.80
   1  11   0  386.96    7.31
   1  11   1   12.60    0.74
   1  11   1   12.01    0.95
   1  11   2  341.57    6.22
   1  11   3   11.20    0.90
   1  11   5   25.61    1.41
   1  11   6  407.30    8.00
   1  11   7  132.30    3.64
   1  11   8  136.35    3.89
   1  11   9    0.32    1.23
   1  11  10   28.70    2.09
   1 -11  10   31.24    2.17
   1  11  11    2.81    1.54
   1 -11  11    2.03    1.47
   1  11  12    4.49    1.67
   1 -11  12    6.65    1.65
   1  11  13    0.91    1.88
   1 -11  13    2.01    1.75
   1  11  14   62.23    3.56
   1 -11  14   58.13    3.30
   1 -11  15    6.33    2.07
   1  13 -18    1.79    1.74
   1  13 -17   -1.24    1.64
   1  13 -16    3.61    1.74
   1  13 -15    1.56    1.61
   1 -13 -14    8.23    1.81
   1  13 -14    6.29    1.72
   1  13 -13    4.80    1.64
   1  13 -12    4.57    1.47
   1 -13 -11   -0.25    1.36
   1  13 -11   -0.54    1.35
   1  13 -10   31.06    2.15
   1  13 -10   28.40    2.04
   1 -13 -10   27.26    2.00
   1 -13  -9   32.63    2.02
   1  13  -9   30.15    2.00
   1  13  -8    3.29    1.25
   1  13  -7   19.03    1.64
   1  13  -7   22.74    1.68
   1  13  -6   20.12    1.62
   1  13  -6   20.44    1.65
   1  13  -6   19.04    1.58
   1  13  -5   75.12    2.75
   1  13  -5   78.45    2.85
   1  13  -4   27.09    1.66
   1  13  -4   25.38    1.68
   1  13  -3   14.13    1.29
   1  13  -3   12.99    1.32
   1  13  -2   85.79    2.83
   1  13  -2   80.84    1.52
   1  13  -1   15.05    1.36
   1  13  -1   14.48    1.19
   1  13  -1   15.54    0.60
   1  13   0   75.58    2.38
   1  13   0   76.24    1.70
   1  13   1    7.90    0.69
   1  13   2   63.65    1.76
   1  13   5    2.70    0.88
   1  13   6   39.63    1.84
   1  13   7   17.88    1.51
   1  13   8   23.87    1.80
   1  13   9   10.71    1.59
   1  13  10    2.13    1.50
   1  13  11    3.40    1.69
   1  13  12   24.07    2.36
   1  13  13   -0.15    1.77
   1  13  14    2.10    2.08
   1  15 -18    1.73    1.71
   1  15 -17   -2.34    1.80
   1  15 -16    2.05    1.76
   1  15 -15    1.20    1.72
   1 -15 -14    8.90    2.00
   1  15 -14   10.73    2.00
   1 -15 -13    0.66    1.65
   1  15 -13    0.50    1.52
   1 -15 -12   28.61    2.37
   1  15 -12   28.16    2.34
   1  15 -11   58.06    3.13
   1  15 -10   10.11    1.68
   1  15 -10   12.77    1.78
   1 -15 -10   10.31    1.77
   1  15  -9    2.33    1.45
   1  15  -9    1.54    1.25
   1 -15  -9    3.97    1.45
   1  15  -8   29.12    2.10
   1  15  -8   30.30    2.09
   1  15  -7   13.79    1.63
   1  15  -7   12.99    1.64
   1  15  -6   25.05    1.92
   1  15  -6   31.09    2.09
   1  15  -5    7.53    1.38
   1  15  -4   86.07    3.01
   1  15  -4   82.67    3.19
   1  15  -3   28.00    1.75
   1  15  -3   28.43    1.91
   1  15  -2   46.94    2.13
   1  15  -2   47.96    2.36
   1  15  -1   14.10    1.37
   1  15  -1   14.80    1.54
   1  15   0  115.85    3.27
   1  15   4   60.31    1.99
   1  15   5    0.88    0.93
   1  15   6   22.21    1.54
   1  15   7    0.71    1.10
   1  15   8   15.22    1.64
   1  15   9   -1.51    1.41
   1  15  10   20.16    1.96
   1  15  11    0.39    1.64
   1  15  12   10.92    2.05
   1  15  13   -0.60    1.91
   1  17 -17    2.07    1.90
   1  17 -16    2.35    1.86
   1  17 -15    0.55    1.81
   1  17 -14   -1.66    1.86
   1 -17 -14    1.48    1.73
   1  17 -13   -0.36    1.71
   1 -17 -13   -2.50    1.90
   1  17 -12    5.33    1.85
   1 -17 -12    7.69    2.00
   1  17 -11   18.28    2.24
   1 -17 -11   21.43    2.28
   1  17 -10   10.24    1.77
   1  17 -10   10.75    1.92
   1 -17 -10    9.22    1.77
   1  17  -9   19.98    2.12
   1  17  -9   20.65    1.99
   1  17  -8    2.74    1.55
   1  17  -8    3.30    1.39
   1  17  -7    9.18    1.63
   1  17  -7   11.63    1.62
   1  17  -6   26.24    2.10
   1  17  -6   23.10    1.98
   1  17  -6   26.47    2.19
   1  17  -5    6.61    1.45
   1  17  -5    6.06    1.52
   1  17  -4   30.44    2.19
   1  17  -3   47.91    2.58
   1  17  -2   48.78    2.57
   1  17  -1   33.51    2.17
   1  17  -1   34.15    1.94
   1  17   0   10.26    1.65
   1  19 -15    1.14    1.83
   1 -19 -15    0.19    1.97
   1 -19 -14   -0.58    2.05
   1  19 -14    0.97    1.90
   1 -19 -13    3.03    1.92
   1  19 -13    0.78    1.91
   1 -19 -12   -0.37    1.78
   1  19 -12    1.54    1.84
   1 -19 -11    1.94    1.69
   1  19 -11    1.32    1.70
   1  19 -10    4.20    1.83
   1 -19 -10    0.86    1.74
   1  19 -10    6.03    1.77
   1  19  -9   11.76    2.02
   1 -19  -9   13.48    2.04
   1  19  -9   11.54    2.01
   1  19  -8    1.35    1.42
   1  19  -8    1.49    1.65
   1  19  -7    1.45    1.36
   1  19  -7    1.16    1.65
   1  19  -6    4.28    1.50
   1  19  -6    2.70    1.47
   1  19  -5   17.58    2.09
   1  19  -5   16.37    1.93
   1  19  -5   15.85    1.99
   1  19  -4    6.29    1.52
   1  19  -4   11.81    1.92
   1  19  -3    4.76    1.49
   1  19  -3    6.08    1.68
   1  19  -2    8.22    1.77
   1  19  -1    6.59    1.65
   1  19   0   13.63    1.90
   1  19   1    2.78    1.51
   1 -21 -14    3.27    2.06
   1 -21 -13    3.48    1.88
   1  21 -12    0.40    1.91
   1 -21 -12    5.20    2.05
   1  21 -11    6.35    2.10
   1 -21 -11    4.32    1.89
   1  21 -10    0.20    1.73
   1 -21 -10    2.97    1.89
   1 -21  -9    6.33    1.93
   1  21  -9   11.20    2.09
   1  21  -8    6.79    1.83
   1  21  -7   14.47    2.10
   1  21  -7   14.17    2.12
   1  21  -6   -1.18    1.61
   1  21  -6    0.46    1.67
   1  21  -5    8.61    1.89
   1  21  -5    1.31    1.75
   1  21  -4   11.69    2.11
   1  21  -3    9.45    2.01
   1  21  -2    8.00    1.93
   1  21  -1   25.53    2.35
   1  21   0   25.73    2.39
   1  21   1   28.31    2.46
   1  21   2    7.20    1.97
   1  21   3   11.85    2.11
   1 -23 -14    0.91    1.90
   1 -23 -13    1.89    1.93
   1 -23 -12   -0.19    2.10
   1 -23 -11    3.65    1.87
   1 -23 -10    4.24    1.98
   1 -23  -9   -1.53    1.89
   1 -23  -8    1.13    1.79
   1 -25 -14   -0.98    1.83
   1 -25 -13   -1.39    1.90
   1 -25 -12    2.00    1.81
   1 -25 -11    2.23    1.75
   1 -25 -10   -0.76    1.94
   1 -25  -9    0.96    1.87
   1 -25  -8    2.32    1.81
   1 -27 -11    1.68    1.85
   1 -27 -10    0.87    1.86
   1 -27  -9    0.36    1.76
   1 -27  -8    0.37    1.92
   1 -27  -7    1.32    1.88
   1 -29  -8    1.46    1.90
   1 -29  -7   -0.17    1.77
   1 -29  -6   -3.28    2.05
   2   0 -13    0.13    0.62
   2   0 -12  281.64    5.34
   2   0 -11   -0.27    0.58
   2   0 -10  267.90    5.00
   2   0  -9   -0.06    0.49
   2   0  -8  653.84   11.03
   2   0  -7    0.07    0.38
   2   0  -6  146.42    2.78
   2   0  -5   -0.03    0.36
   2   0  -4  776.84   12.66
   2   0  -3    0.16    0.23
   2   0  -1   -0.07    0.22
   2   0   0  768.41   12.37
   2   0   0  758.76   12.24
   2   0   1    0.04    0.26
   2   0   1    0.30    0.27
   2   0   2 1814.04   29.05
   2   0   2 1784.46   29.05
   2   0   3    0.18    0.41
   2   0   4  953.01   15.86
   2   0   4  951.66   15.97
   2   0   5    1.33    0.82
   2   0   5   -0.16    0.59
   2   0   5   -0.35    0.65
   2   0   6  730.98   12.62
   2   0   7   -0.26    0.67
   2   0   8  350.11    7.09
   2   0   8  355.55    7.05
   2   0   8  348.66    6.84
   2   0   9   -0.08    0.79
   2   0  10  194.30    4.84
   2   0  11   -0.31    1.03
   2   0  12  113.35    3.69
   2   0  13   -1.41    1.34
   2   0  14   60.21    3.02
   2   0  15   -1.51    1.62
   2   0  16    2.77    1.68
   2   0  17   -0.86    1.82
   2   2 -14   40.34    1.65
   2   2 -13   27.61    1.36
   2  -2 -12    3.08    0.50
   2   2 -12    3.16    0.81
   2   2 -11   25.29    1.22
   2  -2 -11   24.89    0.87
   2   2 -10   69.04    1.97
   2  -2 -10   67.10    1.54
   2   2  -9    8.46    0.79
   2  -2  -9    7.59    0.50
   2   2  -8  127.10    2.77
   2  -2  -8  122.86    2.33
   2   2  -7   28.17    1.07
   2  -2  -7   27.44    0.72
   2   2  -6   45.48    1.30
   2  -2  -6   48.90    1.43
   2  -2  -6   42.54    0.93
   2   2  -5    1.19    0.52
   2  -2  -5    1.34    0.21
   2  -2  -5    1.57    0.58
   2  -2  -4   62.49    1.51
   2   2  -4   67.28    1.51
   2   2  -3 1554.53   24.87
   2   2  -3 1516.63   24.84
   2   2  -2  303.66    5.16
   2   2  -2  298.10    5.06
   2  -2  -2  301.45    4.95
   2   2  -2  299.94    5.15
   2  -2   1 4675.82   74.72
   2   2   1 4672.85   74.75
   2   2   2  336.28    5.89
   2   2   2  340.25    5.70
   2   2   3  199.78    3.85
   2   2   3  201.08    3.58
   2  -2   3  202.72    3.84
   2   2   4  212.80    4.18
   2  -2   4  208.78    4.12
   2   2   5  125.68    2.88
   2  -2   5  117.37    2.82
   2   2   5  121.71    2.73
   2   2   6  233.97    3.87
   2   2   6  233.00    4.69
   2   2   7    2.80    0.88
   2  -2   7    2.31    0.71
   2   2   7    4.48    0.26
   2   2   7    3.88    0.77
   2  -2   7    3.78    0.80
   2   2   8   38.62    1.80
   2   2   8   33.33    0.76
   2  -2   8   35.44    1.59
   2  -2   8   38.83    1.68
   2   2   9  203.14    4.92
   2  -2   9  207.51    4.86
   2   2  10   -0.20    1.10
   2   2  10    2.47    0.99
   2  -2  10    2.71    0.98
   2  -2  11   69.99    2.72
   2   2  11   63.40    2.60
   2   2  11   62.72    2.78
   2  -2  12   39.33    2.23
   2   2  12   38.38    2.21
   2  -2  13   28.22    2.07
   2   2  13   25.77    2.04
   2   2  14   15.49    1.93
   2  -2  14   17.93    1.96
   2  -2  15   -0.61    1.68
   2   2  15   -0.91    1.56
   2  -2  16    4.48    1.72
   2   2  16    8.37    1.98
   2  -2  16    3.12    1.76
   2  -2  17   -0.51    1.83
   2   2  17   -0.17    1.78
   2   4 -14   62.14    2.23
   2   4 -13   22.63    1.41
   2   4 -12   35.27    1.63
   2   4 -11    6.07    0.92
   2   4 -10   52.52    1.84
   2   4  -9   10.81    0.97
   2  -4  -9   12.36    1.10
   2   4  -8   58.84    1.85
   2  -4  -8   59.96    1.96
   2   4  -7   44.56    1.56
   2  -4  -7   49.89    1.62
   2  -4  -6  778.58   13.42
   2   4  -6  794.11   13.44
   2  -4  -6  787.01   12.94
   2   4  -5  732.34   12.56
   2   4  -5  739.01   12.58
   2  -4  -5  743.96   12.52
   2   4  -4  442.94    7.74
   2   4  -4  444.83    7.78
   2   4  -3    8.64    0.63
   2   4  -3    8.32    0.66
   2   4  -3    7.07    0.58
   2  -4  -3   10.98    0.31
   2   4  -2   61.92    1.53
   2   4  -2   63.93    1.53
   2   4  -1    7.83    0.53
   2   4   0   25.20    0.61
   2   4   1   47.25    1.12
   2  -4   2  846.93   13.91
   2   4   2  825.10   13.85
   2  -4   3 1865.86   30.67
   2   4   3 1898.03   30.69
   2  -4   4  860.52   14.54
   2   4   4  858.22   14.58
   2   4   5   20.23    0.68
   2   4   5   19.43    1.12
   2  -4   5   18.36    1.04
   2   4   6  336.64    5.81
   2   4   7   69.00    2.30
   2  -4   7   66.09    2.16
   2  -4   7   69.22    2.26
   2   4   7   67.45    1.58
   2   4   8  106.92    3.12
   2  -4   8   99.82    3.02
   2   4   8  107.45    2.27
   2   4   9   72.51    2.66
   2  -4   9   71.51    2.52
   2   4   9   68.02    1.73
   2   4  10  113.48    3.64
   2   4  10  114.34    2.49
   2  -4  10  113.10    3.49
   2  -4  11    3.96    1.16
   2   4  11    6.62    1.48
   2  -4  11    4.85    1.17
   2  -4  12   13.14    1.60
   2   4  12   13.98    1.83
   2  -4  12   14.71    1.61
   2   4  13    3.27    1.34
   2  -4  13    1.93    1.22
   2   4  14    1.00    1.40
   2  -4  14    2.40    1.41
   2   4  15    4.32    1.72
   2  -4  15    6.88    1.78
   2   4  16   15.34    2.15
   2  -4  16   14.57    2.08
   2   6 -14   19.17    1.51
   2   6 -13   12.59    1.32
   2   6 -12   77.67    2.62
   2  -6 -11    8.84    1.23
   2   6 -11    8.68    1.14
   2  -6 -10   13.08    1.23
   2   6 -10   13.28    1.17
   2  -6  -9    5.89    1.00
   2   6  -9    5.23    0.89
   2   6  -8   62.52    2.06
   2  -6  -8   63.92    2.11
   2   6  -7  158.39    3.73
   2  -6  -7  166.12    3.05
   2   6  -7  169.98    3.78
   2  -6  -7  153.06    3.65
   2   6  -6   25.67    1.19
   2  -6  -6   22.96    0.82
   2   6  -5  672.88   11.80
   2   6  -5  692.73   11.90
   2   6  -4   15.20    0.91
   2   6  -4   14.11    0.95
   2   6  -4   14.34    0.86
   2   6  -3  174.70    3.53
   2   6  -3  164.99    3.54
   2   6  -2  447.61    7.78
   2   6  -2  430.53    7.81
   2   6  -1  254.72    4.76
   2   6   0  155.80    3.17
   2   6   0  160.77    2.82
   2   6   1  137.65    2.64
   2   6   2  348.17    6.15
   2  -6   3 1570.04   25.98
   2   6   3 1577.59   25.84
   2  -6   4    8.25    0.80
   2   6   4    7.52    0.79
   2  -6   6  126.40    3.19
   2   6   7  188.19    4.41
   2  -6   7  182.33    4.31
   2  -6   8  268.17    5.80
   2   6   8  254.76    5.80
   2  -6   9   57.40    2.32
   2   6   9   53.55    2.39
   2  -6  10   87.54    3.05
   2   6  10   86.16    3.19
   2  -6  11   19.70    1.71
   2   6  11   19.08    1.78
   2  -6  12    0.25    1.19
   2   6  12   -0.13    1.44
   2  -6  13   12.94    1.76
   2   6  13    9.86    1.96
   2   6  14    1.01    1.42
   2  -6  14    3.21    1.55
   2   6  15    2.22    1.64
   2  -6  15    2.49    1.63
   2   6  16    1.17    1.75
   2  -6  16   -0.16    1.68
   2   8 -16    1.90    1.30
   2   8 -15    4.74    1.33
   2   8 -14    5.31    1.28
   2  -8 -12   10.18    1.41
   2   8 -12    7.66    1.26
   2  -8 -11   39.89    2.08
   2   8 -11   36.53    1.89
   2  -8 -10   11.31    1.30
   2   8 -10    9.72    1.16
   2  -8  -9   85.36    2.76
   2   8  -9   85.92    2.76
   2   8  -8    3.52    0.91
   2  -8  -8    2.71    0.48
   2  -8  -8    2.30    0.85
   2   8  -8    3.05    0.95
   2   8  -7   40.47    1.71
   2   8  -7   36.50    1.66
   2  -8  -7   36.52    1.13
   2   8  -6    0.93    0.69
   2   8  -6    2.17    0.78
   2   8  -5  180.91    4.09
   2   8  -5  177.93    4.00
   2   8  -4   54.97    1.81
   2   8  -3  409.22    7.57
   2   8  -2    4.31    0.65
   2   8  -1  280.61    4.68
   2   8  -1  294.51    5.44
   2   8   0  131.80    2.42
   2   8   0  126.81    2.87
   2   8   1  470.57    8.00
   2   8   2   54.60    1.47
   2   8   3  183.26    3.73
   2   8   4  176.41    3.77
   2  -8   5  569.91   10.49
   2  -8   6    8.55    1.08
   2   8   6    6.75    1.07
   2  -8   7  175.72    4.30
   2   8   7  169.80    4.25
   2  -8   8   88.17    2.95
   2   8   8   86.79    2.95
   2  -8   9   47.53    2.27
   2   8   9   47.83    2.28
   2  -8  10   10.81    1.46
   2   8  10    8.43    1.46
   2  -8  11   32.89    2.13
   2   8  11   35.27    2.35
   2   8  12   -0.68    1.55
   2  -8  12   -0.77    1.35
   2   8  13    1.95    1.79
   2  -8  13   -0.84    1.49
   2  -8  14    9.02    1.84
   2  -8  15    5.12    1.79
   2  -8  16    1.18    1.85
   2   8  16    4.95    1.97
   2  10 -17   28.82    2.24
   2  10 -16    3.91    1.52
   2  10 -15    6.11    1.55
   2  10 -14   -0.37    1.40
   2  10 -13    7.13    1.39
   2 -10 -13    9.38    1.53
   2 -10 -12    2.08    1.31
   2 -10 -11   15.55    1.63
   2  10 -10   17.36    1.53
   2 -10 -10   18.84    1.58
   2 -10  -9  140.73    3.96
   2  10  -9  146.90    4.07
   2  10  -8    7.85    1.21
   2 -10  -8    9.99    0.67
   2  10  -8    8.81    1.19
   2  10  -7  251.88    5.58
   2  10  -7  250.84    5.61
   2  10  -6    2.05    0.89
   2  10  -6    1.99    0.84
   2  10  -5   92.24    2.70
   2  10  -5   94.09    2.79
   2  10  -4   20.30    1.29
   2  10  -4   19.64    1.25
   2  10  -3  319.39    6.45
   2  10  -3  316.38    6.35
   2  10  -2   61.39    2.10
   2  10  -2   59.14    1.97
   2  10  -1  327.14    5.44
   2  10  -1  332.49    6.37
   2  10   0  154.62    2.83
   2  10   0  147.16    3.40
   2  10   1  264.42    4.77
   2  10   2   56.19    1.56
   2  10   3  322.86    6.03
   2  10   6  157.65    3.90
   2  10   7  294.15    6.35
   2 -10   8    2.35    1.16
   2  10   8    2.15    1.15
   2  10   9   24.11    1.80
   2 -10   9   26.94    1.90
   2  10  10    2.79    1.33
   2 -10  10    2.14    1.22
   2  10  11    7.45    1.67
   2 -10  11    9.62    1.62
   2  10  12    3.08    1.74
   2 -10  12   -0.41    1.42
   2  10  13   23.65    2.48
   2 -10  13   23.85    2.29
   2 -10  14    6.41    1.79
   2 -10  15    9.92    2.00
   2  12 -18    0.85    1.59
   2  12 -17   10.43    1.90
   2  12 -16   -0.59    1.55
   2  12 -15   10.65    1.77
   2  12 -14    9.62    1.72
   2  12 -13    0.55    1.34
   2 -12 -12    2.50    1.46
   2  12 -12    2.77    1.32
   2 -12 -11   33.75    2.20
   2  12 -11   37.66    2.26
   2 -12 -10    2.17    1.14
   2  12 -10    2.36    1.20
   2  12  -9   40.56    2.14
   2 -12  -9   42.45    2.14
   2  12  -8   21.51    1.65
   2  12  -8   22.10    1.61
   2  12  -7   99.81    3.26
   2  12  -7  102.23    3.23
   2  12  -6   60.08    2.45
   2  12  -6   68.26    2.57
   2  12  -6   66.07    2.43
   2  12  -5    3.99    1.10
   2  12  -5    6.28    1.09
   2  12  -4   49.01    2.05
   2  12  -4   48.98    2.10
   2  12  -3   78.80    2.57
   2  12  -3   89.52    2.81
   2  12  -2   23.35    1.35
   2  12  -2   24.11    1.55
   2  12  -1   74.87    1.40
   2  12  -1   82.52    2.43
   2  12   0    3.08    0.44
   2  12   1  101.79    2.20
   2  12   2    8.70    0.75
   2  12   3   62.41    1.85
   2  12   5  108.72    2.98
   2  12   6   -0.60    0.94
   2  12   7  106.72    3.26
   2  12   8    5.81    1.28
   2  12   9   44.92    2.39
   2  12  10    3.11    1.48
   2  12  11    0.13    1.64
   2  12  12    1.28    1.73
   2  12  13    5.20    2.07
   2  14 -18    0.77    1.70
   2  14 -17    0.97    1.67
   2  14 -16    0.33    1.71
   2  14 -15   17.89    2.18
   2  14 -14    0.96    1.52
   2 -14 -14    3.42    1.69
   2  14 -13   28.71    2.30
   2 -14 -13   23.88    2.30
   2  14 -12   10.43    1.72
   2 -14 -11   21.75    2.04
   2  14 -11   20.87    2.09
   2  14 -10    2.32    1.33
   2 -14 -10    2.54    1.35
   2  14 -10   -0.13    1.34
   2  14  -9   78.68    3.10
   2  14  -9   76.40    3.16
   2 -14  -9   73.37    3.01
   2  14  -8    0.22    1.19
   2  14  -7   10.52    1.45
   2  14  -6   -1.00    1.02
   2  14  -6    2.14    1.25
   2  14  -6    1.33    1.14
   2  14  -5   72.81    2.73
   2  14  -5   67.10    2.80
   2  14  -4    8.02    1.27
   2  14  -4    5.80    1.10
   2  14  -3   21.53    1.63
   2  14  -3   24.75    1.58
   2  14  -2   12.77    1.40
   2  14  -2   16.19    1.32
   2  14  -1  275.37    6.35
   2  14  -1  278.73    6.01
   2  14   0   45.20    1.09
   2  14   1  100.73    2.19
   2  14   2    3.49    0.68
   2  14   4   16.92    1.18
   2  14   5   38.42    1.72
   2  14   6    0.77    1.00
   2  14   7   88.71    2.94
   2  14   8    1.95    1.22
   2  14   9   53.25    2.57
   2  14  10   15.97    1.94
   2  14  11   20.18    2.22
   2  14  12    0.28    1.75
   2  16 -17    2.90    1.88
   2  16 -16    1.41    1.86
   2 -16 -15    4.89    1.84
   2  16 -15    5.53    1.86
   2 -16 -14    1.05    1.72
   2  16 -14    1.24    1.70
   2 -16 -13   19.76    2.34
   2  16 -13   19.72    2.37
   2 -16 -12    9.18    1.90
   2  16 -12    8.55    1.82
   2  16 -11   21.22    2.14
   2  16 -10   19.97    2.02
   2  16 -10   17.20    2.02
   2 -16  -9   17.33    1.89
   2  16  -9   17.63    1.89
   2  16  -9   15.92    1.90
   2  16  -8    5.64    1.46
   2  16  -8    3.49    1.27
   2  16  -7   13.98    1.68
   2  16  -7   15.46    1.70
   2  16  -6    4.79    1.32
   2  16  -6    2.86    1.18
   2  16  -6    5.18    1.32
   2  16  -5   37.74    2.35
   2  16  -4    9.86    1.49
   2  16  -3   22.68    1.70
   2  16  -3   22.97    1.92
   2  16  -2   64.12    2.56
   2  16  -2   68.34    2.87
   2  16  -1   18.37    1.80
   2  16   9   26.34    2.12
   2  16  10    4.26    1.72
   2  16  11   10.85    1.93
   2  18 -15    2.07    1.68
   2 -18 -15    3.75    1.90
   2  18 -14   -1.90    1.88
   2 -18 -14   -2.23    1.85
   2  18 -13    6.61    1.95
   2 -18 -13    1.99    1.87
   2  18 -12   -1.67    1.84
   2 -18 -12    1.38    1.71
   2  18 -11    9.37    1.94
   2 -18 -11    9.93    1.95
   2  18 -10    9.73    1.94
   2  18 -10   14.22    2.00
   2 -18 -10   14.91    2.06
   2  18  -9    0.28    1.58
   2  18  -9   -1.17    1.29
   2 -18  -9    1.51    1.53
   2  18  -8    4.30    1.44
   2  18  -8    5.52    1.68
   2  18  -7   16.36    1.91
   2  18  -7   16.10    1.92
   2  18  -6   16.10    1.87
   2  18  -6   17.57    2.07
   2  18  -6   16.98    1.91
   2  18  -5   -1.36    1.33
   2  18  -5   -0.14    1.38
   2  18  -5   -1.54    1.43
   2  18  -4   18.49    2.02
   2  18  -4   19.11    1.85
   2  18  -3   19.65    1.96
   2  18  -2   13.26    1.77
   2  18  -1    8.77    1.63
   2  18   0    7.16    1.60
   2 -20 -15    5.06    2.01
   2 -20 -14   -0.38    1.86
   2  20 -13    9.11    2.24
   2 -20 -13    6.80    2.06
   2  20 -12    0.59    1.79
   2 -20 -12   -1.48    1.76
   2  20 -11   11.25    2.18
   2 -20 -11   12.91    2.17
   2  20 -10    0.38    1.73
   2 -20 -10    1.23    1.77
   2  20  -9    4.66    1.79
   2 -20  -9    2.20    1.79
   2  20  -9    6.05    1.75
   2  20  -8    8.29    1.85
   2  20  -8    9.77    1.87
   2  20  -7    3.89    1.57
   2  20  -7    1.02    1.60
   2  20  -6    4.03    1.61
   2  20  -6    2.29    1.64
   2  20  -5   10.23    1.88
   2  20  -5    7.19    1.70
   2  20  -4    1.27    1.65
   2  20  -3   -0.15    1.72
   2  20  -2    3.49    1.59
   2  20  -1    2.92    1.66
   2  20   0   11.15    1.94
   2  20   1    2.81    1.63
   2  20   2   -1.28    1.78
   2 -22 -15   -1.61    1.84
   2 -22 -14    0.19    1.85
   2 -22 -13   -0.19    1.82
   2 -22 -12    4.18    1.89
   2 -22 -11    1.13    1.65
   2 -22 -10    3.18    1.90
   2 -22  -9    0.74    1.79
   2  22  -5   -0.90    1.76
   2  22  -4    5.13    1.84
   2  22  -3    3.77    1.94
   2  22  -2   27.44    2.53
   2  22  -1    0.17    1.71
   2  22   0   33.26    2.70
   2  22   1    2.37    1.82
   2  22   2   21.17    2.45
   2 -24 -14    2.07    1.90
   2 -24 -13    2.34    1.95
   2 -24 -12   -2.04    2.04
   2 -24 -11   -1.88    1.89
   2 -24 -10    2.09    1.99
   2 -24  -9    1.90    1.76
   2 -24  -8   -1.14    1.87
   2 -26 -13   -1.13    1.84
   2 -26 -12    3.06    1.93
   2 -26 -11   -1.59    1.94
   2 -26 -10    6.87    2.02
   2 -26  -9    0.37    1.87
   2 -26  -8    3.02    1.90
   2 -28 -10   -0.80    1.76
   2 -28  -9    1.50    1.84
   2 -28  -8    0.17    1.74
   2 -28  -7    0.89    1.80
   2 -30  -5    2.41    1.76
   3   1 -13  127.29    2.96
   3  -1 -12   36.71    1.17
   3   1 -12   36.24    1.38
   3  -1 -11  137.62    2.79
   3   1 -11  138.31    3.05
   3  -1 -10    6.86    0.59
   3   1 -10    5.78    0.69
   3  -1  -9   79.49    1.76
   3   1  -9   81.51    1.98
   3  -1  -8   50.62    1.22
   3   1  -8   48.88    1.39
   3  -1  -7    5.23    0.40
   3   1  -7    4.64    0.52
   3   1  -6  128.95    2.57
   3  -1  -6  128.53    2.36
   3   1  -5   45.50    1.19
   3   1  -4  122.49    2.32
   3  -1  -4  117.09    2.36
   3  -1  -3 1142.66   18.47
   3  -1  -1   87.11    1.71
   3   1   0  668.04   11.07
   3  -1   0  674.64   10.84
   3   1   1   23.92    0.62
   3   1   1   22.66    0.72
   3   1   2    4.77    0.46
   3   1   2    4.25    0.46
   3  -1   2    4.13    0.47
   3   1   3  179.01    3.45
   3  -1   3  178.03    3.48
   3   1   4    2.90    0.64
   3  -1   4    2.88    0.66
   3  -1   4    3.45    0.68
   3   1   5  658.33   11.41
   3  -1   5  658.04   11.43
   3  -1   5  664.30   11.49
   3  -1   6    2.13    0.68
   3   1   6    1.85    0.64
   3   1   7  514.76    9.27
   3   1   7  514.81    9.41
   3  -1   7  496.43    9.26
   3  -1   7  505.33    9.41
   3   1   8   29.74    1.53
   3  -1   8   33.54    1.58
   3   1   8   33.82    1.64
   3  -1   8   33.28    1.63
   3   1   9  192.45    4.66
   3  -1   9  194.46    4.67
   3  -1  10   24.01    1.63
   3   1  10   25.12    1.66
   3   1  11  265.79    6.30
   3  -1  11  272.14    6.38
   3  -1  12    4.54    1.25
   3   1  12    5.37    1.43
   3  -1  13   96.24    3.63
   3   1  13   91.79    3.54
   3   1  14    4.04    1.48
   3  -1  14    3.04    1.54
   3  -1  15    3.58    1.65
   3   1  15    2.63    1.66
   3  -1  16   -0.17    1.76
   3   1  16   -2.99    1.74
   3   3 -14    1.32    0.82
   3   3 -13   18.28    1.22
   3   3 -12   13.49    1.08
   3   3 -11  137.04    3.25
   3   3 -10   15.32    1.04
   3   3  -9   60.66    1.83
   3  -3  -8    7.85    0.82
   3   3  -8    6.39    0.70
   3   3  -7  304.99    5.72
   3  -3  -7  310.84    5.83
   3   3  -6  215.86    4.22
   3  -3  -6  222.09    4.26
   3  -3  -6  218.67    4.01
   3  -3  -5  268.26    4.72
   3   3  -5  272.14    4.78
   3   3  -4  296.23    5.31
   3   3  -4  306.55    5.40
   3  -3  -4  299.39    5.28
   3   3  -3   80.91    1.69
   3   3  -3   82.75    1.82
   3   3  -3   80.33    1.82
   3  -3  -2   16.33    0.54
   3   3  -2   13.07    0.63
   3   3  -2   14.99    0.63
   3  -3   1  165.19    3.03
   3   3   2  278.54    5.14
   3  -3   2  292.01    5.09
   3   3   3  545.10    9.24
   3   3   3  555.68    9.56
   3  -3   3  558.79    9.46
   3   3   4   21.08    1.14
   3   3   4   18.73    0.76
   3   3   5 1017.86   17.40
   3   3   5 1028.48   16.90
   3   3   6   11.37    0.71
   3   3   7  342.89    6.93
   3  -3   7  346.91    6.89
   3   3   7  343.95    6.22
   3   3   8   16.34    1.44
   3  -3   8   14.46    1.26
   3   3   8   13.79    0.89
   3   3   9  218.53    5.31
   3  -3   9  225.50    5.23
   3   3   9  221.93    4.38
   3  -3  10   11.43    1.39
   3   3  11  102.30    3.40
   3  -3  11  102.07    3.48
   3  -3  12    4.79    1.30
   3   3  12    4.11    1.30
   3  -3  13   55.15    2.87
   3   3  13   57.32    2.82
   3  -3  14   -0.30    1.54
   3   3  14   -0.14    1.47
   3  -3  14   -0.70    1.50
   3   3  15   28.09    2.45
   3  -3  15   30.01    2.41
   3   3  16    0.17    1.75
   3  -3  16   -1.47    1.78
   3   5 -15   19.54    1.51
   3   5 -14   68.21    2.43
   3   5 -13   67.62    2.35
   3   5 -12   15.21    1.21
   3   5 -11   14.80    1.18
   3  -5 -10   31.24    1.59
   3   5 -10   29.14    1.47
   3  -5  -9  162.02    3.87
   3   5  -9  167.81    3.80
   3  -5  -8  145.40    3.40
   3   5  -8  142.59    3.36
   3  -5  -7   64.44    1.92
   3  -5  -7   64.92    1.55
   3   5  -7   63.13    1.92
   3  -5  -6  731.34   12.08
   3   5  -6  718.85   12.43
   3   5  -6  713.21   12.50
   3  -5  -6  716.78   12.40
   3   5  -5   94.95    2.28
   3   5  -5   97.32    2.36
   3   5  -4  347.60    6.20
   3   5  -4  351.65    6.35
   3   5  -4  338.34    6.36
   3   5  -3   31.93    1.20
   3  -5  -3   33.43    0.84
   3   5  -3   32.40    1.18
   3   5  -2  105.47    2.34
   3   5  -2  102.57    2.33
   3   5   1  412.93    7.04
   3  -5   2  722.91   12.26
   3   5   2  726.69   12.18
   3  -5   3  148.81    3.13
   3   5   3  144.53    3.09
   3  -5   4  116.75    2.72
   3   5   4  114.40    2.72
   3  -5   6   60.49    1.98
   3   5   6   56.98    2.06
   3  -5   7  225.65    4.99
   3   5   7  219.55    5.06
   3   5   7  230.22    4.16
   3   5   8   61.37    2.38
   3  -5   8   58.25    2.23
   3   5   8   60.66    1.51
   3  -5   9  285.25    6.40
   3   5   9  290.49    6.56
   3   5   9  297.73    5.30
   3   5  10    0.44    1.29
   3  -5  10    1.10    1.06
   3   5  11   35.11    2.30
   3  -5  11   39.27    2.19
   3  -5  12   13.36    1.63
   3  -5  13   19.76    1.98
   3   5  13   17.13    1.84
   3  -5  14    1.90    1.51
   3   5  14    0.74    1.45
   3  -5  15    3.91    1.71
   3   5  15    7.11    1.82
   3  -5  16    4.94    1.87
   3   5  16    8.56    1.99
   3   7 -16    3.71    1.24
   3   7 -13   23.77    1.61
   3   7 -12   92.69    2.97
   3   7 -11    3.29    0.98
   3  -7 -11    1.79    1.06
   3  -7 -10  159.47    4.01
   3   7 -10  149.98    3.86
   3   7  -9    8.49    0.97
   3  -7  -9   10.06    1.14
   3  -7  -8    5.18    0.58
   3   7  -8    6.35    0.95
   3  -7  -8    7.70    1.00
   3   7  -7   59.54    2.02
   3  -7  -7   61.07    1.58
   3   7  -7   62.14    2.05
   3  -7  -7   61.81    1.99
   3   7  -6   90.53    2.51
   3   7  -5   28.28    1.25
   3   7  -5   27.32    1.20
   3  -7  -4  860.40   14.04
   3   7  -4  884.86   14.88
   3   7  -3   16.82    0.94
   3   7  -3   18.21    1.02
   3   7  -2  732.92   12.67
   3   7  -2  744.62   12.73
   3   7  -1   47.09    1.47
   3   7   0  772.50   12.61
   3   7   1  385.71    6.63
   3   7   2    2.46    0.56
   3   7   3   66.68    1.82
   3   7   4  395.24    7.30
   3  -7   5    8.42    0.93
   3   7   6   10.22    1.13
   3  -7   6    9.71    1.08
   3  -7   7  131.46    3.49
   3   7   7  129.21    3.52
   3  -7   8   97.49    3.05
   3   7   8   92.83    3.07
   3  -7   9   60.99    2.48
   3   7   9   56.81    2.55
   3  -7  10   22.83    1.71
   3   7  10   22.29    1.87
   3   7  11   16.50    1.90
   3  -7  11   14.91    1.64
   3  -7  12   35.41    2.28
   3  -7  13    1.66    1.43
   3   7  14   -0.15    1.55
   3  -7  14    2.52    1.62
   3   7  15    0.16    1.74
   3  -7  15    2.99    1.76
   3   7  16    1.53    1.84
   3  -7  16    1.16    1.85
   3   9 -17    0.96    1.35
   3   9 -16    9.27    1.56
   3   9 -15    7.23    1.44
   3   9 -14   13.78    1.62
   3  -9 -13   -0.46    1.28
   3  -9 -12   54.28    2.49
   3  -9 -11   30.60    1.83
   3   9 -11   27.96    1.76
   3  -9 -10   29.56    1.75
   3   9 -10   30.20    1.76
   3   9  -9   13.80    1.27
   3   9  -9   13.79    1.31
   3  -9  -9   15.58    0.77
   3  -9  -9   13.72    1.29
   3   9  -8   16.27    1.36
   3   9  -8   16.06    1.34
   3  -9  -8   18.33    0.88
   3  -9  -8   16.65    1.27
   3   9  -7  178.10    4.30
   3   9  -7  180.05    4.22
   3   9  -6    9.88    1.02
   3   9  -6   11.15    1.06
   3   9  -5   95.10    2.73
   3   9  -5   91.23    2.63
   3   9  -5   90.55    2.55
   3   9  -4   47.74    1.80
   3   9  -4   46.28    1.73
   3   9  -3   -0.06    0.64
   3   9  -3    1.17    0.77
   3   9  -2  336.44    6.61
   3   9  -2  336.96    6.49
   3   9  -1   -0.05    0.54
   3   9   0   71.11    1.48
   3   9   1   68.32    1.60
   3   9   2   16.55    0.86
   3   9   3  232.02    4.59
   3  -9   6   57.96    2.26
   3   9   6   59.07    2.15
   3  -9   7    5.05    1.10
   3   9   7    6.53    1.19
   3  -9   8    4.62    1.16
   3   9   8    4.20    1.23
   3  -9   9    9.33    1.37
   3   9   9   10.18    1.48
   3  -9  10   51.93    2.54
   3   9  10   48.09    2.54
   3   9  11    5.57    1.67
   3  -9  11    7.00    1.43
   3  -9  12    2.16    1.41
   3  -9  13   -0.15    1.44
   3  -9  14    4.02    1.71
   3  -9  15    9.80    2.08
   3  11 -18    9.11    1.79
   3  11 -17   -0.28    1.42
   3  11 -16   40.45    2.56
   3  11 -15    2.02    1.39
   3  11 -14   15.86    1.81
   3 -11 -13    3.85    1.50
   3  11 -13    4.63    1.38
   3 -11 -12   52.98    2.63
   3  11 -12   57.13    2.67
   3 -11 -11    0.97    1.20
   3 -11 -10   85.53    3.01
   3 -11  -9   19.44    1.57
   3  11  -9   18.13    1.54
   3  11  -9   20.09    1.61
   3 -11  -8  272.29    5.16
   3  11  -8  266.23    6.03
   3  11  -8  273.26    6.20
   3  11  -7    0.62    0.97
   3  11  -7    1.55    0.95
   3  11  -6  103.44    3.19
   3  11  -6  105.02    3.14
   3  11  -6  106.98    3.07
   3  11  -5   11.31    1.18
   3 -11  -5   10.03    0.46
   3  11  -5   10.20    1.17
   3  11  -4  307.56    6.38
   3  11  -4  289.80    6.22
   3  11  -3    4.07    0.97
   3  11  -3    2.77    0.84
   3  11  -2  387.05    7.79
   3  11  -2  394.96    7.61
   3  11  -1    6.44    0.88
   3  11   0  138.65    2.58
   3  11   1   13.95    0.74
   3  11   2  331.75    6.04
   3  11   3    1.52    0.76
   3  11   5   16.86    1.26
   3  11   6  271.50    5.82
   3  11   7    0.59    1.07
   3  11   8   38.02    2.09
   3 -11   9   -0.47    1.16
   3  11   9    0.75    1.25
   3 -11  10   44.03    2.51
   3  11  10   38.73    2.41
   3 -11  11   10.13    1.75
   3  11  11    8.06    1.84
   3 -11  12   43.52    2.72
   3 -11  13    1.40    1.76
   3 -11  14    9.80    2.07
   3  13 -17    1.38    1.62
   3  13 -16   11.16    1.92
   3  13 -15    4.91    1.65
   3  13 -14   17.76    2.04
   3 -13 -14   19.94    2.20
   3  13 -13   -1.74    1.47
   3  13 -12    1.11    1.29
   3 -13 -12    1.64    1.47
   3  13 -11    0.66    1.28
   3 -13 -11    1.30    1.32
   3  13 -10   35.94    2.23
   3  13 -10   38.21    2.23
   3 -13 -10   33.59    2.09
   3  13  -9    7.37    1.34
   3 -13  -9    8.58    1.39
   3  13  -8   41.97    2.16
   3  13  -7    8.66    1.27
   3  13  -7   10.23    1.37
   3  13  -6   27.63    1.83
   3  13  -6   25.31    1.67
   3  13  -6   28.36    1.73
   3  13  -5   32.18    1.93
   3  13  -5   32.55    1.84
   3  13  -4   -0.10    0.96
   3  13  -4    0.09    0.94
   3  13  -3   10.95    1.30
   3  13  -3    7.22    1.11
   3  13  -2   17.45    1.44
   3  13  -2   21.97    1.40
   3  13   1    7.35    0.64
   3  13   2    0.52    0.60
   3  13   3   19.86    1.10
   3  13   5    7.51    1.09
   3  13   6   11.97    1.28
   3  13   7    1.92    1.18
   3  13   8  100.02    3.34
   3  13   9    9.85    1.60
   3  13  10    9.24    1.75
   3  13  11   -0.26    1.76
   3  15 -16   10.18    2.03
   3  15 -15   -1.02    1.69
   3 -15 -15   -1.54    1.81
   3  15 -14   16.32    2.22
   3 -15 -14   16.77    2.25
   3  15 -13    7.34    1.79
   3 -15 -13    5.90    1.71
   3  15 -12   10.24    1.81
   3  15 -11    1.06    1.39
   3  15 -10   47.03    2.71
   3  15 -10   44.89    2.58
   3 -15 -10   52.56    2.72
   3  15  -9    0.24    1.26
   3  15  -9    1.78    1.23
   3 -15  -9   -0.24    1.23
   3  15  -8   18.74    1.80
   3  15  -8   17.74    1.71
   3  15  -7    1.19    1.20
   3  15  -6   51.82    2.43
   3  15  -6   52.18    2.57
   3  15  -5    5.00    1.33
   3  15  -4    5.17    1.21
   3  15  -4    4.10    1.27
   3  15  -3   26.84    1.75
   3  15  -3   28.34    1.92
   3  15  -2   41.94    2.24
   3  15  -1    1.22    1.13
   3  15   6   38.32    1.88
   3  15   7    4.68    1.30
   3  15   8   64.90    2.71
   3  15   9   25.21    2.12
   3 -17 -15    1.80    1.81
   3  17 -15    2.20    1.83
   3 -17 -14    6.71    1.90
   3  17 -14    4.95    1.82
   3 -17 -13    2.20    1.75
   3  17 -13    1.27    1.67
   3 -17 -12   15.26    2.05
   3  17 -12   11.31    2.07
   3 -17 -11    6.58    1.68
   3  17 -11    4.61    1.66
   3  17 -10   -1.81    1.56
   3  17 -10    1.23    1.53
   3  17  -9    1.10    1.29
   3  17  -9    0.79    1.38
   3  17  -8   37.25    2.41
   3  17  -8   35.01    2.38
   3  17  -7    5.96    1.46
   3  17  -7    9.66    1.57
   3  17  -6    9.70    1.63
   3  17  -6    9.44    1.52
   3  17  -6    8.87    1.61
   3  17  -5   11.70    1.58
   3  17  -5   14.92    1.83
   3  17  -4   12.37    1.70
   3  17  -3   32.93    2.24
   3  17  -2    4.75    1.46
   3  17  -1   27.85    2.05
   3  17   0    1.84    1.36
   3 -19 -15   -0.37    1.84
   3 -19 -14    1.11    1.80
   3 -19 -13   -0.36    1.74
   3 -19 -12   15.17    2.28
   3  19 -12   10.74    2.15
   3 -19 -11    3.04    1.69
   3  19 -11    0.37    1.59
   3 -19 -10   -0.16    1.70
   3  19 -10   -0.18    1.59
   3  19 -10    1.16    1.62
   3 -19  -9    9.41    1.80
   3  19  -9    8.42    1.81
   3  19  -9    9.88    1.83
   3  19  -8   -0.28    1.52
   3  19  -8    0.17    1.41
   3  19  -7    1.75    1.51
   3  19  -7    0.80    1.40
   3  19  -6    3.17    1.50
   3  19  -6    1.08    1.57
   3  19  -5    7.31    1.66
   3  19  -5    9.25    1.98
   3  19  -4    4.83    1.66
   3  19  -3    1.18    1.48
   3  19  -2    1.33    1.40
   3  19  -1   31.24    2.47
   3  19   0    2.07    1.49
   3  19   1    3.18    1.72
   3 -21 -15   -0.18    1.92
   3 -21 -14    3.91    2.04
   3 -21 -13    3.35    1.94
   3 -21 -12    5.52    1.98
   3 -21 -11    6.33    2.00
   3 -21 -10    5.34    1.73
   3 -21  -9   12.84    2.15
   3  21  -7   12.47    1.98
   3  21  -6    6.73    1.84
   3  21  -5    6.55    1.94
   3  21  -5    9.60    1.83
   3  21  -4    0.67    1.66
   3  21  -3   35.94    2.77
   3  21  -2    3.90    1.77
   3  21  -1   52.20    3.18
   3  21   0    0.16    1.74
   3  21   1   30.19    2.55
   3  21   2    4.40    1.89
   3 -23 -15    1.86    1.88
   3 -23 -14   -0.89    1.92
   3 -23 -13    2.38    1.88
   3 -23 -12   -1.86    2.03
   3 -23 -11    0.56    1.74
   3 -23 -10   -0.37    1.71
   3 -23  -9    2.04    1.76
   3 -25 -14   -0.64    1.76
   3 -25 -13    2.37    1.89
   3 -25 -12    0.35    1.82
   3 -25 -11   -3.06    2.06
   3 -25 -10   -0.92    1.95
   3 -25  -9    5.40    2.03
   3 -25  -8    2.62    2.00
   3 -27 -12    1.40    1.77
   3 -27 -11    2.29    1.87
   3 -27 -10    2.03    1.78
   3 -27  -9   -2.63    2.05
   3 -27  -8   -0.90    1.88
   3 -27  -7    1.10    1.79
   3 -29  -8    0.16    1.87
   3 -29  -7    0.65    1.76
   3 -29  -6    1.01    1.82
   4   0 -13   -0.30    0.57
   4   0 -12  212.85    4.14
   4   0 -11    0.14    0.54
   4   0 -10  795.16   13.34
   4   0  -9   -0.06    0.45
   4   0  -8   40.03    1.13
   4   0  -7    0.16    0.36
   4   0  -3   -0.12    0.42
   4   0  -2 9643.77  153.97
   4   0  -1    0.75    0.38
   4   0   0  770.83   12.89
   4   0   0  784.24   12.64
   4   0   1    0.46    0.31
   4   0   1   -0.02    0.29
   4   0   1    0.20    0.42
   4   0   2  994.30   16.22
   4   0   2  977.70   16.22
   4   0   3    0.52    0.56
   4   0   3   -0.09    0.53
   4   0   4  957.76   16.10
   4   0   4  957.38   16.06
   4   0   5    0.36    0.57
   4   0   5   -0.14    0.66
   4   0   6 1573.83   26.16
   4   0   7    1.20    0.79
   4   0   7    0.46    0.79
   4   0   8  296.29    6.28
   4   0   9   -0.53    0.93
   4   0  10  161.81    4.38
   4   0  11    0.78    1.16
   4   0  12  180.20    5.10
   4   0  13    0.54    1.34
   4   0  14    6.50    1.69
   4   0  15   -0.16    1.58
   4   0  16   10.25    2.13
   4   2 -14   11.32    1.02
   4   2 -13   16.45    1.06
   4   2 -12  127.68    3.02
   4   2 -11  145.96    3.26
   4   2 -10   61.30    1.80
   4   2  -9    3.40    0.62
   4   2  -8   94.49    2.23
   4   2  -7   20.65    0.90
   4   2  -6   24.98    0.94
   4  -2  -6   24.68    0.96
   4   2  -5  150.81    2.99
   4  -2  -5  151.02    2.99
   4  -2  -5  147.31    2.93
   4  -2  -4  170.74    3.29
   4  -2  -3  606.25   10.21
   4  -2  -2    2.37    0.36
   4   2  -2    2.87    0.33
   4   2  -2    2.83    0.21
   4  -2  -1 1569.22   25.45
   4  -2   0    9.19    0.36
   4  -2   1  201.99    3.59
   4   2   1  206.40    3.75
   4   2   2  219.08    4.04
   4   2   3   47.98    1.01
   4  -2   3   47.29    1.45
   4   2   3   45.64    1.32
   4   2   4  518.08    8.45
   4  -2   4  517.28    9.15
   4   2   4  514.58    8.91
   4   2   5  112.38    2.43
   4   2   5  105.22    1.88
   4   2   6  113.59    2.81
   4  -2   6  114.10    2.84
   4  -2   7  117.78    3.20
   4  -2   7  124.94    3.14
   4  -2   8   68.95    2.41
   4   2   8   69.73    2.38
   4  -2   9   34.45    1.82
   4   2   9   36.24    1.84
   4   2  10   46.71    2.21
   4  -2  10   50.16    2.31
   4   2  10   45.95    1.76
   4  -2  11    3.97    1.23
   4   2  11    3.97    0.90
   4   2  11    3.54    1.21
   4  -2  12   41.13    2.37
   4   2  12   35.38    2.25
   4  -2  13    1.37    1.43
   4   2  13    0.81    1.34
   4  -2  14   25.84    2.30
   4   2  14   27.39    2.33
   4   2  15   14.47    2.05
   4  -2  15   10.97    1.96
   4  -2  16    0.81    1.66
   4   2  16   -0.67    1.77
   4   4 -14   11.43    1.19
   4   4 -13   10.95    1.11
   4   4 -12   73.28    2.29
   4   4 -11   31.56    1.47
   4   4 -10  142.24    3.38
   4  -4  -9  115.58    3.00
   4   4  -9  122.95    2.96
   4  -4  -8  551.04   10.00
   4   4  -8  568.23    9.99
   4  -4  -7   26.49    1.13
   4  -4  -7   27.40    1.00
   4   4  -7   26.17    1.15
   4  -4  -6  160.81    3.19
   4  -4  -6  158.23    3.29
   4   4  -6  162.08    3.40
   4   4  -5    3.00    0.54
   4  -4  -5    3.63    0.56
   4   4  -5    3.25    0.60
   4   4  -4  214.98    4.16
   4   4  -4  213.57    4.13
   4   4  -4  214.22    3.96
   4   4  -3    0.61    0.42
   4  -4  -3    1.41    0.40
   4   4  -3    0.63    0.51
   4   4  -2  129.89    2.65
   4  -4   1  507.45    8.60
   4  -4   2  367.63    6.48
   4  -4   3   91.40    2.16
   4   4   4  785.61   13.30
   4   4   4  814.12   13.73
   4  -4   4  802.06   13.62
   4   4   5   18.73    0.85
   4   4   6  221.81    4.22
   4   4   6  226.86    4.92
   4   4   7    4.82    0.68
   4   4   7    4.47    1.15
   4   4   8  116.51    2.63
   4   4   9    6.43    0.78
   4  -4  10   62.64    2.54
   4   4  11    2.58    1.16
   4  -4  11    3.84    1.25
   4   4  12   43.04    2.47
   4  -4  12   41.30    2.38
   4   4  13   21.07    1.96
   4  -4  13   15.81    1.89
   4   4  14   52.97    2.94
   4  -4  14   49.67    2.81
   4   4  15   20.10    2.19
   4  -4  15   20.62    2.25
   4   4  16   -0.17    1.86
   4  -4  16    2.81    1.76
   4   6 -14   58.47    2.32
   4   6 -13   49.69    2.09
   4   6 -12   40.01    1.86
   4  -6 -11   67.86    2.42
   4   6 -11   63.95    2.27
   4  -6 -10  160.92    3.92
   4   6 -10  151.75    3.77
   4  -6  -9  104.06    2.87
   4   6  -9  104.14    2.88
   4  -6  -8   97.28    2.62
   4   6  -8   92.80    2.62
   4  -6  -8   97.89    2.21
   4   6  -7   46.12    1.66
   4  -6  -7   44.70    1.36
   4  -6  -7   44.08    1.58
   4   6  -6  292.98    5.51
   4   6  -6  283.01    5.67
   4   6  -5  464.04    8.17
   4   6  -5  459.09    8.37
   4   6  -4   64.12    1.85
   4  -6  -4   61.49    1.33
   4   6  -4   65.76    1.67
   4   6  -4   64.62    1.83
   4   6  -3    2.03    0.65
   4   6  -3    1.33    0.54
   4   6   2  282.27    5.18
   4  -6   3  194.35    4.05
   4   6   3  203.03    4.04
   4   6   4    5.07    0.86
   4  -6   6   70.39    2.27
   4   6   6   74.25    2.45
   4  -6   7   30.93    1.59
   4   6   7   26.16    1.63
   4  -6   8  166.61    4.30
   4   6   8  174.99    4.51
   4  -6   9   14.34    1.43
   4   6   9   15.42    1.65
   4  -6  10   96.96    3.32
   4  -6  11   31.94    2.03
   4  -6  12   11.83    1.60
   4   6  13   29.57    2.32
   4  -6  13   31.66    2.36
   4   6  14    1.82    1.62
   4  -6  14    1.47    1.58
   4   6  15   21.76    2.40
   4  -6  15   24.18    2.43
   4  -6  16   17.49    2.30
   4   8 -16    4.23    1.35
   4   8 -15    8.24    1.37
   4  -8 -12   11.68    1.42
   4   8 -12   12.89    1.40
   4   8 -11   88.90    2.86
   4  -8 -11   84.15    2.89
   4   8 -10   19.55    1.47
   4  -8 -10   18.98    1.46
   4   8  -9   25.35    1.51
   4  -8  -9   24.12    1.46
   4  -8  -9   23.81    1.01
   4   8  -8   93.99    2.74
   4  -8  -8   88.33    2.68
   4  -8  -8   99.13    2.30
   4   8  -8   99.38    2.86
   4   8  -7   94.53    2.66
   4   8  -7   96.41    2.78
   4  -8  -7   97.69    2.34
   4   8  -6   70.10    2.22
   4   8  -5  115.99    2.99
   4   8  -5  110.65    2.90
   4  -8  -4    0.82    0.38
   4   8  -4    0.40    0.59
   4   8  -3  273.86    5.45
   4   8   2   31.71    1.15
   4   8   3  123.98    2.84
   4  -8   5   34.41    1.62
   4   8   6    3.60    1.02
   4  -8   6    4.64    0.96
   4  -8   7   38.11    1.85
   4   8   7   37.26    1.92
   4  -8   8   31.67    1.84
   4   8   8   29.13    1.84
   4  -8   9   31.01    1.92
   4   8   9   33.43    2.09
   4  -8  10   14.63    1.53
   4  -8  11   36.52    2.30
   4  -8  12    5.39    1.50
   4  -8  13   27.15    2.31
   4  -8  14    0.91    1.64
   4   8  14    1.38    1.67
   4  -8  15    0.97    1.77
   4   8  15    2.48    1.66
   4  10 -17   12.10    1.75
   4  10 -16    2.03    1.32
   4  10 -15    4.36    1.48
   4  10 -14    9.11    1.57
   4 -10 -13   28.57    2.09
   4  10 -13   28.56    2.02
   4 -10 -12   12.76    1.48
   4 -10 -11   65.28    2.58
   4 -10 -10    1.26    1.00
   4  10 -10    2.65    1.06
   4 -10  -9  102.96    3.09
   4  10  -9  104.14    3.14
   4  10  -9  100.76    3.19
   4 -10  -9  100.62    2.39
   4  10  -8   43.68    1.92
   4  10  -8   40.25    1.95
   4 -10  -8   43.00    1.49
   4  10  -7  152.27    3.83
   4  10  -7  158.35    4.03
   4  10  -6  222.27    4.97
   4  10  -6  233.48    5.22
   4  10  -6  240.15    5.31
   4  10  -5   95.79    2.65
   4  10  -5   95.99    2.80
   4 -10  -5   94.69    1.86
   4  10  -5   96.95    2.89
   4  10  -4    7.13    0.96
   4  10  -4    4.40    0.87
   4  10  -3  293.91    5.97
   4  10  -3  288.74    6.03
   4  10  -2    1.32    0.80
   4  10   2   91.89    2.21
   4  10   3   71.49    2.01
   4  10   5  234.59    5.07
   4  10   6    3.51    1.06
   4 -10   7   28.59    1.76
   4  10   7   29.66    1.78
   4 -10   8    5.48    1.18
   4  10   8    6.72    1.32
   4 -10   9   35.21    2.10
   4  10   9   39.01    2.29
   4 -10  10   15.56    1.77
   4 -10  11   42.51    2.51
   4 -10  12    0.56    1.56
   4 -10  13   31.57    2.45
   4 -10  14    2.04    1.70
   4  12 -17    1.74    1.52
   4  12 -16    1.60    1.50
   4  12 -15   16.63    2.01
   4  12 -14    1.53    1.43
   4  12 -13    1.34    1.30
   4 -12 -13   -0.25    1.40
   4  12 -12    1.66    1.29
   4 -12 -12    2.34    1.37
   4 -12 -11   22.91    1.88
   4  12 -11   24.57    1.90
   4  12 -10    2.04    1.12
   4 -12 -10    1.94    1.16
   4 -12  -9   90.68    3.09
   4  12  -9   91.39    3.07
   4  12  -8    6.90    1.14
   4  12  -8    4.75    1.24
   4  12  -7   35.30    1.84
   4  12  -7   36.49    1.95
   4  12  -6   14.66    1.40
   4  12  -6   15.64    1.40
   4  12  -6   16.08    1.33
   4 -12  -5   16.78    0.69
   4  12  -5   19.27    1.51
   4  12  -5   18.37    1.45
   4  12  -4   10.81    1.21
   4  12  -4    8.00    1.17
   4  12  -3   11.58    1.24
   4  12  -3   12.42    1.17
   4  12  -2   34.95    1.82
   4  12   2  133.42    2.86
   4  12   3   55.10    1.76
   4  12   5   35.35    1.68
   4  12   6    1.61    1.08
   4  12   7   35.76    1.98
   4  12   8    9.75    1.50
   4  12   9    9.61    1.65
   4  14 -16    0.65    1.72
   4  14 -15    5.80    1.80
   4 -14 -14    1.22    1.54
   4  14 -14    3.80    1.64
   4  14 -13   12.15    1.82
   4  14 -12   -1.92    1.62
   4  14 -11   31.25    2.28
   4 -14 -11   32.34    2.19
   4  14 -10    0.69    1.23
   4  14 -10   -0.40    1.23
   4 -14 -10    1.60    1.31
   4  14  -9   29.90    1.99
   4  14  -9   35.64    2.17
   4  14  -8    3.07    1.13
   4  14  -7   26.83    1.80
   4  14  -6    0.46    1.01
   4  14  -6   -0.52    1.07
   4  14  -6    0.34    1.19
   4  14  -5   21.28    1.75
   4  14  -5   25.00    1.76
   4  14  -4   18.25    1.51
   4  14  -4   13.91    1.47
   4  14  -3   30.27    1.91
   4  14  -2    3.69    1.14
   4  14   4    0.77    0.89
   4  14   5   10.75    1.23
   4  14   6   -0.62    1.11
   4  14   7   67.90    2.64
   4 -16 -15    7.84    1.98
   4 -16 -14   13.71    2.22
   4  16 -14   16.85    2.31
   4 -16 -13   12.44    2.07
   4  16 -13    9.98    2.03
   4 -16 -12   15.25    1.97
   4  16 -12   20.10    2.18
   4  16 -11    1.93    1.51
   4  16 -10    0.93    1.37
   4  16 -10    2.14    1.43
   4  16  -9   30.49    2.27
   4  16  -9   28.55    2.13
   4  16  -8   10.25    1.64
   4  16  -8    9.79    1.61
   4  16  -7   37.51    2.32
   4  16  -7   34.08    2.14
   4  16  -6   11.47    1.51
   4  16  -6   11.69    1.65
   4  16  -6   11.58    1.50
   4  16  -5   17.80    1.79
   4  16  -4   73.20    3.09
   4  16  -3   11.82    1.51
   4  16  -2   -1.31    1.23
   4  16  -1    9.91    1.49
   4 -18 -15    0.53    1.76
   4 -18 -14    5.44    1.93
   4 -18 -13    3.91    1.85
   4  18 -12    8.67    1.93
   4 -18 -12    5.70    1.81
   4  18 -11    2.33    1.71
   4 -18 -11    0.16    1.58
   4 -18 -10    2.41    1.59
   4  18 -10    5.55    1.72
   4  18 -10    7.43    1.71
   4  18  -9   -0.33    1.39
   4  18  -9   -0.13    1.43
   4  18  -8   16.54    1.86
   4  18  -8   15.31    1.90
   4  18  -7   12.16    1.66
   4  18  -6   32.22    2.27
   4  18  -6   36.84    2.53
   4  18  -5   15.41    1.74
   4  18  -5   13.78    1.90
   4  18  -4   14.16    1.89
   4  18  -3   -0.83    1.43
   4  18  -2   19.09    2.03
   4  18  -1    3.32    1.50
   4  18   0   26.58    2.22
   4 -20 -15    1.79    2.07
   4 -20 -14    0.18    1.94
   4 -20 -13    3.59    1.91
   4 -20 -12   -0.17    1.79
   4 -20 -11    6.68    1.99
   4 -20 -10   14.17    2.05
   4  20  -9   -0.55    1.60
   4  20  -8    3.42    1.70
   4  20  -7    4.04    1.69
   4  20  -6   14.98    1.91
   4  20  -6   17.92    2.22
   4  20  -5    9.03    1.72
   4  20  -5   10.76    2.05
   4  20  -4   -0.16    1.61
   4  20  -3    8.99    1.89
   4  20  -2   25.18    2.46
   4  20  -1    4.39    1.69
   4  20   0    3.45    1.71
   4  20   1    0.48    1.62
   4 -22 -15    0.17    1.92
   4 -22 -14    1.07    2.01
   4 -22 -13    0.91    1.90
   4 -22 -12    3.81    1.97
   4 -22 -11   -0.90    1.90
   4 -22 -10   14.32    2.30
   4 -22  -9    0.35    1.68
   4  22  -5    3.35    1.66
   4  22  -4   33.06    2.53
   4  22  -2   28.20    2.64
   4  22  -1   -1.20    1.82
   4  22   0   24.23    2.54
   4 -24 -14    1.17    1.84
   4 -24 -13   -1.91    1.89
   4 -24 -12    3.57    2.04
   4 -24 -11    0.18    1.86
   4 -24 -10    3.11    1.92
   4 -24  -9    1.47    1.84
   4 -26 -13    2.02    1.78
   4 -26 -12    2.62    1.90
   4 -26 -11   -0.17    1.79
   4 -26 -10    3.32    1.79
   4 -26  -9    0.18    1.92
   4 -26  -8   -0.18    1.93
   4 -28 -10    0.31    1.76
   4 -28  -9    1.78    1.77
   4 -28  -8    2.34    1.84
   4 -28  -7    0.34    1.83
   5   1 -12   56.10    1.67
   5   1 -11  202.34    4.05
   5   1 -10    0.98    0.60
   5   1  -9  242.36    4.60
   5   1  -8   45.70    1.33
   5  -1  -5  365.61    6.54
   5  -1  -4  360.45    6.41
   5  -1  -3  142.19    2.42
   5  -1  -3  138.16    2.84
   5   1  -2  278.88    4.67
   5   1  -2  276.60    4.98
   5  -1  -2  280.14    5.01
   5  -1  -2  273.99    4.93
   5  -1  -1  290.71    5.10
   5   1  -1  279.12    5.04
   5  -1   0  168.86    3.31
   5   1   0  171.32    3.28
   5   1   0  172.22    2.95
   5   1   0  165.46    3.17
   5   1   1  124.02    2.60
   5   1   1  126.36    2.39
   5   1   2   58.67    1.46
   5   1   2   56.52    1.45
   5   1   2   59.81    1.58
   5  -1   2   56.25    1.50
   5   1   3  383.56    6.90
   5  -1   3  395.19    6.98
   5   1   3  383.03    6.95
   5  -1   3  390.99    6.92
   5   1   3  392.60    6.91
   5  -1   4   16.69    0.94
   5   1   4   15.99    0.89
   5   1   4   15.77    0.87
   5  -1   4   16.73    0.93
   5   1   4   17.22    0.93
   5  -1   5  145.44    3.28
   5   1   5  147.82    3.27
   5  -1   6   82.74    2.42
   5  -1   6   83.79    2.36
   5   1   6   81.41    2.32
   5  -1   7   76.58    2.48
   5   1   7   79.50    2.49
   5  -1   7   79.10    2.41
   5   1   7   81.24    2.40
   5   1   8   27.19    1.56
   5  -1   8   26.24    1.60
   5   1   9   36.70    1.90
   5  -1   9   32.13    1.84
   5   1  10    9.83    1.34
   5  -1  10    9.08    1.29
   5  -1  11   47.06    2.40
   5   1  11   46.19    2.37
   5  -1  12    4.60    1.41
   5   1  12    0.76    1.16
   5  -1  13    4.34    1.57
   5   1  13    4.45    1.46
   5   1  14    1.19    1.53
   5  -1  14    0.15    1.50
   5   1  15    7.25    1.97
   5  -1  15    8.46    1.91
   5   1  16    2.89    1.94
   5   3 -14    1.44    0.78
   5   3 -13   39.80    1.62
   5   3 -12    1.01    0.75
   5   3 -11   46.23    1.66
   5   3 -10    6.83    0.83
   5   3  -9  656.47   11.46
   5   3  -8   58.97    1.75
   5  -3  -8   61.20    1.79
   5  -3  -7  274.90    5.17
   5   3  -7  276.94    5.26
   5  -3  -7  276.65    5.20
   5  -3  -6   11.22    0.74
   5   3  -6   11.54    0.79
   5  -3  -6   11.31    0.70
   5  -3  -5  386.29    6.72
   5  -3  -5  390.71    6.92
   5  -3  -4   41.91    1.34
   5   3  -3  508.70    8.65
   5  -3  -3  509.64    8.58
   5   3  -3  508.28    8.39
   5  -3  -2   18.07    0.75
   5   3  -2   18.63    0.74
   5  -3  -1  238.71    4.40
   5  -3   1  356.54    6.11
   5  -3   2  102.36    2.18
   5   3   2   99.14    2.24
   5   3   3  444.97    7.77
   5   3   4   13.92    0.79
   5   3   5  217.87    4.26
   5   3   6  126.00    2.85
   5  -3   6  129.89    3.29
   5   3   7   93.16    2.33
   5  -3   7   91.92    2.66
   5  -3   7   92.41    2.81
   5  -3   8   71.50    2.55
   5   3   9   20.20    1.54
   5  -3   9   21.03    1.62
   5  -3  10    5.51    1.29
   5   3  10    3.41    1.06
   5   3  10    4.59    0.91
   5  -3  11   17.32    1.77
   5   3  11   14.22    1.60
   5   3  12    0.13    1.22
   5  -3  12   -1.06    1.36
   5  -3  13   42.76    2.50
   5   3  13   38.07    2.48
   5  -3  14   10.63    1.91
   5   3  14   15.79    2.05
   5  -3  15   10.65    1.91
   5   3  15    6.79    1.87
   5  -3  16   13.45    2.14
   5   3  16   11.31    2.18
   5   5 -15    2.43    1.03
   5   5 -14    7.17    1.13
   5   5 -13   64.12    2.26
   5   5 -12   18.34    1.28
   5   5 -11   82.00    2.47
   5   5 -10  257.24    5.38
   5  -5 -10  261.80    5.49
   5   5  -9  113.19    2.90
   5  -5  -9  110.98    2.89
   5   5  -8  152.43    3.54
   5  -5  -8  155.40    3.25
   5  -5  -8  157.07    3.49
   5   5  -7  147.60    3.32
   5  -5  -7  144.49    3.08
   5  -5  -7  141.62    3.16
   5  -5  -6  404.53    7.24
   5   5  -6  402.57    7.45
   5   5  -5  177.12    3.66
   5   5  -5  168.03    3.37
   5   5  -4   28.22    1.13
   5   5  -4   26.24    0.91
   5  -5  -4   27.54    0.85
   5  -5  -3  738.34   12.21
   5   5  -3  725.45   12.44
   5  -5   2   29.83    1.09
   5  -5   3   52.54    1.54
   5  -5   4  309.00    5.88
   5  -5   6   92.76    2.65
   5   5   6   93.39    2.19
   5  -5   7   65.40    2.29
   5   5   7   67.61    1.79
   5  -5   8   89.82    2.86
   5   5   8   88.25    2.17
   5  -5   9   78.61    2.79
   5   5   9   79.83    2.06
   5  -5  10   23.48    1.72
   5   5  11    4.64    1.28
   5  -5  11    3.21    1.22
   5   5  12   16.71    1.74
   5  -5  12   19.46    1.88
   5   5  13   18.04    2.04
   5  -5  13   21.23    2.04
   5  -5  14   39.41    2.67
   5   5  14   39.14    2.71
   5  -5  15   11.79    2.10
   5   5  15   10.37    2.01
   5   7 -16    9.29    1.40
   5   7 -13    8.73    1.24
   5   7 -12   59.06    2.28
   5  -7 -12   52.86    2.29
   5   7 -11   31.24    1.68
   5  -7 -11   29.30    1.68
   5   7 -10   60.39    2.22
   5  -7 -10   65.13    2.27
   5  -7  -9    0.72    0.80
   5  -7  -9    3.05    0.65
   5   7  -9    2.06    0.86
   5  -7  -8  341.25    6.24
   5   7  -8  336.33    6.73
   5  -7  -8  327.80    6.55
   5   7  -7   41.02    1.68
   5  -7  -7   42.04    1.44
   5   7  -6   86.66    2.24
   5   7  -6   87.85    2.48
   5   7  -5  186.06    3.80
   5   7  -5  191.40    4.13
   5  -7  -4  140.60    2.69
   5   7  -4  133.00    3.23
   5  -7   5    3.73    0.91
   5  -7   6  187.46    4.37
   5  -7   7   51.85    2.10
   5  -7   8  136.28    3.77
   5  -7   9   25.95    1.77
   5  -7  10   65.41    2.76
   5  -7  11   13.13    1.61
   5  -7  12   17.29    1.89
   5   7  13    0.86    1.45
   5  -7  13    0.56    1.49
   5   7  14   27.75    2.45
   5  -7  14   26.06    2.41
   5   7  15    7.02    1.93
   5  -7  15    7.86    1.89
   5   9 -16    0.12    1.26
   5   9 -15   19.22    1.82
   5   9 -14    5.19    1.37
   5  -9 -13   14.45    1.56
   5   9 -12   25.75    1.72
   5  -9 -12   25.98    1.82
   5   9 -11   -0.46    1.04
   5  -9 -11    1.44    1.02
   5   9 -10   37.69    1.93
   5  -9 -10   38.66    1.36
   5  -9 -10   36.32    1.82
   5  -9  -9   21.14    1.08
   5  -9  -9   22.62    1.47
   5   9  -9   19.82    1.47
   5   9  -8   70.26    2.32
   5  -9  -8   72.69    2.04
   5   9  -8   69.63    2.46
   5   9  -7  243.06    5.45
   5   9  -7  254.54    5.25
   5   9  -6   56.31    2.12
   5   9  -6   60.26    2.15
   5   9  -5  116.03    3.07
   5  -9  -5  115.10    2.24
   5   9  -5  110.69    3.09
   5   9  -4   87.76    2.54
   5  -9  -4   83.34    1.92
   5   9  -4   88.76    2.55
   5   9  -3   13.59    1.08
   5  -9   6    5.61    1.07
   5  -9   7   25.64    1.64
   5  -9   8   25.00    1.71
   5  -9   9    2.67    1.25
   5  -9  10   42.70    2.36
   5  -9  11   34.95    2.28
   5  -9  12   43.99    2.65
   5  -9  13   13.01    1.93
   5   9  14    1.10    1.68
   5  -9  14    4.33    1.84
   5  11 -16   13.66    1.84
   5  11 -15   -0.93    1.46
   5 -11 -14    9.29    1.67
   5  11 -14    9.69    1.59
   5 -11 -13    5.45    1.49
   5  11 -13    2.98    1.39
   5 -11 -12   26.91    1.97
   5  11 -12   26.39    1.98
   5 -11 -11    0.60    1.19
   5 -11 -10  176.15    4.56
   5 -11  -9    1.97    0.73
   5  11  -9    2.06    1.02
   5  11  -9    2.91    1.13
   5 -11  -9    2.84    1.10
   5  11  -8  200.47    4.97
   5  11  -8  201.91    4.76
   5  11  -7   25.11    1.64
   5  11  -7   29.15    1.55
   5  11  -6  369.32    7.20
   5  11  -6  354.34    7.46
   5  11  -6  360.61    7.58
   5  11  -5    6.11    1.04
   5 -11  -5    4.77    0.54
   5  11  -5    5.30    1.06
   5  11  -4  181.33    4.33
   5  11  -4  178.31    4.40
   5  11  -3   -0.15    0.92
   5  11  -2  135.66    3.62
   5 -11  10   58.21    2.87
   5 -11  11   10.19    1.77
   5 -11  12   53.54    3.06
   5 -11  13   -0.78    1.76
   5 -11  14   32.58    2.80
   5  13 -15    0.91    1.46
   5  13 -14   -1.04    1.51
   5  13 -13    2.44    1.42
   5  13 -12   23.56    2.07
   5 -13 -12   26.65    2.03
   5  13 -11    1.45    1.22
   5 -13 -11    0.55    1.22
   5  13 -10   23.00    1.76
   5  13 -10   20.74    1.87
   5 -13 -10   23.40    1.78
   5  13  -9   -1.07    1.09
   5  13  -8   16.56    1.49
   5  13  -7   23.17    1.78
   5  13  -7   20.40    1.51
   5  13  -7   23.34    1.75
   5  13  -6   42.36    2.13
   5  13  -6   46.96    2.27
   5  13  -6   41.98    1.94
   5  13  -5    1.31    1.04
   5  13  -5    2.62    1.11
   5  13  -4  122.34    3.65
   5  13  -3    4.09    1.12
   5  13  -2   90.29    3.03
   5 -15 -15    3.03    1.77
   5  15 -14   11.34    2.08
   5 -15 -14    9.38    1.96
   5  15 -13    8.62    1.81
   5 -15 -13    8.41    1.78
   5  15 -12   12.43    1.87
   5  15 -11    2.87    1.52
   5 -15 -11    3.31    1.45
   5  15 -10   18.36    1.89
   5  15 -10   20.62    1.85
   5  15  -9    0.54    1.20
   5  15  -9    5.37    1.38
   5  15  -8   41.25    2.19
   5  15  -8   38.90    2.31
   5  15  -7   14.72    1.50
   5  15  -7   10.64    1.62
   5  15  -6   54.54    2.65
   5  15  -6   48.68    2.24
   5  15  -5   25.43    1.90
   5  15  -4  102.55    3.55
   5  15  -3   -0.91    1.20
   5  15  -2  103.20    3.51
   5  15  -1    3.10    1.25
   5 -17 -15    5.92    1.96
   5 -17 -14    1.48    1.66
   5 -17 -13    5.86    1.87
   5 -17 -12    1.66    1.59
   5 -17 -11    0.58    1.50
   5  17 -10    5.62    1.60
   5  17  -9   11.38    1.69
   5  17  -8   26.89    2.03
   5  17  -7   16.57    1.73
   5  17  -7   20.12    2.09
   5  17  -6   56.14    2.91
   5  17  -6   45.93    2.39
   5  17  -5   36.08    2.46
   5  17  -4   22.99    2.06
   5  17  -3   -0.66    1.22
   5  17  -2    2.75    1.33
   5  17  -1    9.03    1.59
   5 -19 -15    1.04    1.88
   5 -19 -14    1.73    1.78
   5 -19 -13   -0.85    1.72
   5 -19 -12   -0.16    1.61
   5 -19 -11    5.77    1.84
   5  19 -10   -0.80    1.58
   5 -19 -10    0.15    1.53
   5  19  -9    5.29    1.66
   5  19  -8    9.60    1.73
   5  19  -7   25.03    2.13
   5  19  -6   13.48    1.86
   5  19  -6   13.46    2.05
   5  19  -5    2.77    1.54
   5  19  -5    1.25    1.54
   5  19  -4    1.82    1.46
   5  19  -3    2.96    1.54
   5  19  -2    2.25    1.49
   5  19  -1   -1.77    1.52
   5  19   0   11.57    1.92
   5 -21 -15    2.75    1.82
   5 -21 -14    2.64    1.94
   5 -21 -13    4.05    1.94
   5 -21 -12    1.22    1.73
   5 -21 -11   17.20    2.27
   5 -21 -10    1.52    1.64
   5  21  -8    1.07    1.59
   5  21  -7    2.78    1.69
   5  21  -6    6.70    1.79
   5  21  -6   10.36    2.01
   5  21  -5   16.59    2.00
   5  21  -5   14.97    2.24
   5  21  -4    4.90    1.85
   5  21  -3   29.58    2.53
   5  21  -2   14.79    2.17
   5  21  -1   15.97    2.19
   5  21   0    2.48    1.92
   5  21   1    0.17    1.77
   5  21   2    3.63    1.92
   5 -23 -15    2.25    1.87
   5 -23 -14   -0.17    1.93
   5 -23 -13    4.36    1.99
   5 -23 -12    0.88    1.85
   5 -23 -11    3.36    1.93
   5 -23 -10    1.24    1.83
   5 -23  -9    4.78    1.85
   5 -25 -14    0.76    1.80
   5 -25 -13   -0.64    1.79
   5 -25 -12    0.84    1.87
   5 -25 -11    1.37    1.90
   5 -25 -10   -1.59    1.91
   5 -25  -9    5.72    2.14
   5 -27 -12    0.74    1.78
   5 -27 -11    0.78    1.73
   5 -27 -10    0.48    1.75
   5 -27  -9   -1.51    1.88
   5 -27  -8    1.03    1.85
   5 -29  -8    0.30    1.72
   5 -29  -7   -0.16    1.75
   6   0  -4 1885.28   30.79
   6   0  -3    0.33    0.58
   6   0  -2 5876.78   94.23
   6   0  -1    0.53    0.51
   6   0  -1    0.18    0.49
   6   0   0 1875.57   30.92
   6   0   0 1906.03   30.52
   6   0   1   -0.02    0.40
   6   0   1    0.11    0.44
   6   0   1   -0.43    0.64
   6   0   2   34.19    1.14
   6   0   2   38.01    1.34
   6   0   2   34.52    1.13
   6   0   3    0.14    0.51
   6   0   3    0.26    0.61
   6   0   3    0.18    0.54
   6   0   4  108.88    2.56
   6   0   4  106.25    2.57
   6   0   5    0.10    0.60
   6   0   6  106.23    2.80
   6   0   6  111.81    2.96
   6   0   7   -0.73    0.85
   6   0   8  714.01   13.16
   6   0   9   -0.48    0.98
   6   0  10   79.98    3.01
   6   0  11    0.35    1.18
   6   0  12   21.51    1.62
   6   0  12   15.53    1.78
   6   0  13   -0.71    1.53
   6   0  14    3.68    1.68
   6   0  15    1.15    1.86
   6  -2  -6  175.43    3.66
   6  -2  -6  182.49    3.39
   6  -2  -5  361.78    6.58
   6  -2  -4  400.39    7.18
   6   2  -3  127.54    2.44
   6  -2  -3  125.97    2.76
   6  -2  -2  591.85   10.13
   6   2  -2  597.89    9.85
   6   2  -1  267.96    4.95
   6  -2  -1  276.14    5.03
   6  -2   0   12.25    0.45
   6  -2   0   11.71    0.82
   6   2   0   13.25    0.71
   6   2   1   23.49    1.05
   6   2   1   24.45    0.88
   6  -2   1   22.98    0.75
   6   2   2   37.75    1.04
   6   2   2   36.97    1.29
   6   2   3    9.33    0.75
   6  -2   4    3.97    0.65
   6   2   4    2.38    0.61
   6  -2   4    2.61    0.68
   6   2   5   83.73    2.19
   6  -2   5   83.27    2.28
   6  -2   6   30.93    1.49
   6  -2   6   32.10    1.53
   6   2   6   30.97    1.45
   6  -2   7   71.30    2.44
   6   2   7   67.11    1.31
   6   2   7   70.11    2.33
   6  -2   8    7.55    1.20
   6   2   8    9.55    1.16
   6   2   8    7.91    0.99
   6   2   9   22.15    1.64
   6  -2   9   25.81    1.74
   6   2   9   26.72    1.45
   6   2  10   50.79    2.39
   6  -2  10   47.58    2.38
   6   2  10   46.44    1.90
   6  -2  11   -0.48    1.29
   6   2  11    0.71    1.16
   6   2  11    1.05    0.98
   6  -2  12   10.81    1.74
   6   2  12   10.63    1.66
   6   2  13    3.98    1.57
   6  -2  13    3.79    1.65
   6   2  14    5.00    1.67
   6  -2  15   -1.85    1.84
   6   2  15    2.45    1.66
   6   4 -13    3.26    0.86
   6   4 -12    7.83    0.96
   6   4 -11    7.72    0.93
   6   4 -10   14.09    1.06
   6  -4  -9   10.21    0.93
   6   4  -9   12.20    0.98
   6  -4  -8  546.36    9.58
   6  -4  -8  537.25    9.56
   6   4  -8  543.63    9.72
   6  -4  -7  378.49    6.88
   6  -4  -7  387.15    7.01
   6  -4  -6  496.34    8.55
   6  -4  -6  492.41    8.77
   6  -4  -5    0.12    0.59
   6   4  -4  954.82   15.52
   6   4  -4  940.26   15.84
   6  -4  -4  946.91   15.67
   6   4  -3   15.33    0.78
   6   4  -3   16.04    0.56
   6  -4  -3   14.71    0.79
   6  -4  -2    5.30    0.67
   6  -4   1  127.31    2.54
   6  -4   2  378.01    6.65
   6  -4   3   64.87    1.72
   6  -4   4  131.96    3.00
   6   4   4  136.51    2.93
   6   4   5    3.45    0.66
   6  -4   6   81.80    2.41
   6   4   6   81.01    2.13
   6  -4   7   36.55    1.68
   6  -4   8   11.97    1.27
   6   4   9    8.44    0.98
   6   4   9    9.53    1.22
   6  -4   9    8.31    1.21
   6   4  10   59.50    2.59
   6  -4  10   57.34    2.50
   6   4  11    5.23    1.38
   6  -4  11    4.40    1.26
   6   4  12   20.34    2.00
   6  -4  12   24.94    2.01
   6   4  13    6.12    1.75
   6  -4  13    5.73    1.65
   6  -4  14   32.34    2.57
   6   4  14   37.51    2.71
   6  -4  15    7.69    1.96
   6   4  15    8.97    2.02
   6   6 -14    7.15    1.15
   6   6 -13    3.00    0.98
   6   6 -12   30.59    1.65
   6   6 -11    7.80    1.08
   6  -6 -11    8.92    1.12
   6  -6 -10   13.66    1.11
   6   6 -10   12.41    1.11
   6  -6  -9  111.64    2.88
   6   6  -9  110.19    3.00
   6  -6  -9  112.35    2.69
   6  -6  -8   68.93    2.03
   6  -6  -8   69.26    1.96
   6   6  -8   67.65    2.18
   6   6  -7  386.30    7.45
   6  -6  -7  396.88    7.19
   6  -6  -7  387.51    7.20
   6   6  -6  363.99    6.60
   6   6  -5   80.00    1.92
   6   6  -4  508.10    9.10
   6  -6  -4  515.91    8.76
   6   6  -4  514.73    8.78
   6  -6  -3   48.43    1.38
   6   6  -3   49.51    1.53
   6  -6   3   84.30    2.18
   6  -6   5   35.32    1.53
   6  -6   6   32.68    1.59
   6  -6   7   98.73    2.94
   6  -6   8   42.83    2.00
   6  -6   9   70.64    2.71
   6  -6  10    4.63    1.26
   6  -6  11   17.54    1.74
   6   6  11   19.05    1.77
   6  -6  12   31.76    2.32
   6   6  12   31.91    2.28
   6  -6  13    3.19    1.53
   6   6  13    3.18    1.63
   6  -6  14   19.87    2.12
   6   6  14   16.67    2.21
   6  -6  15    7.67    1.94
   6   6  15    5.56    1.95
   6   8 -12   -0.72    1.02
   6  -8 -12   -1.17    1.07
   6   8 -11   10.07    1.22
   6  -8 -11   11.18    1.22
   6   8 -10    8.48    1.16
   6  -8 -10    8.04    1.11
   6  -8 -10    8.36    0.87
   6  -8  -9  119.14    3.13
   6   8  -9  112.87    3.26
   6  -8  -9  119.80    2.85
   6   8  -8    2.25    0.94
   6  -8  -8    2.83    0.88
   6  -8  -8    3.38    0.76
   6   8  -7   88.22    2.67
   6   8  -6  187.05    4.25
   6   8  -6  177.08    4.19
   6   8  -5  278.45    5.75
   6   8  -5  281.31    5.33
   6  -8  -5  280.62    4.98
   6   8  -4    9.70    0.94
   6  -8  -4   10.82    0.69
   6  -8   4    3.47    0.86
   6  -8   5   81.77    2.53
   6  -8   6   30.76    1.63
   6  -8   7  140.70    3.80
   6  -8   8    5.25    1.21
   6  -8   9   89.10    3.14
   6  -8  10    1.36    1.17
   6  -8  11   10.37    1.65
   6  -8  12   14.41    1.86
   6   8  13   -0.29    1.51
   6  -8  13    0.57    1.52
   6   8  14    8.64    1.90
   6  -8  14    8.06    1.90
   6  10 -14    2.74    1.38
   6  10 -13    8.81    1.46
   6 -10 -13   12.02    1.53
   6 -10 -12    0.49    1.12
   6  10 -11   96.62    3.21
   6 -10 -11   92.87    3.06
   6  10 -10   28.22    1.78
   6 -10 -10   26.97    1.25
   6 -10  -9   94.31    2.53
   6 -10  -9   94.38    2.86
   6  10  -9   87.84    2.99
   6  10  -8   38.63    1.72
   6 -10  -8   34.72    1.51
   6  10  -8   36.09    1.88
   6  10  -7  142.93    3.82
   6  10  -7  142.17    3.53
   6  10  -6    0.52    0.74
   6  10  -6    1.47    0.93
   6  10  -6   -0.16    0.89
   6  10  -5  248.63    5.52
   6 -10  -5  250.27    4.56
   6  10  -4   39.62    1.80
   6 -10  -4   40.61    1.31
   6  10  -3  314.02    6.46
   6 -10   7   41.48    2.11
   6 -10   8    1.05    1.20
   6 -10   9   49.64    2.52
   6 -10  10    6.36    1.53
   6 -10  11   27.19    2.24
   6 -10  12   12.36    1.93
   6 -10  13    9.67    2.02
   6 -10  14    2.19    1.74
   6  10  14    3.81    1.84
   6  12 -14   -0.55    1.38
   6 -12 -13   21.15    1.87
   6  12 -13   20.05    1.96
   6 -12 -12    1.42    1.21
   6  12 -12    2.43    1.30
   6  12 -11   44.94    2.46
   6 -12 -11   41.54    2.24
   6 -12 -10   13.73    1.46
   6 -12  -9   21.94    1.33
   6  12  -9   24.29    1.60
   6  12  -8    8.37    1.28
   6  12  -8    7.76    1.14
   6  12  -7   40.54    2.07
   6  12  -7   44.23    1.88
   6  12  -7   36.43    2.08
   6  12  -6   39.48    1.76
   6  12  -6   40.11    2.07
   6  12  -5  216.12    5.22
   6 -12  -5  217.29    4.10
   6  12  -4    0.18    0.93
   6  12  -3  149.74    4.00
   6  12  -2   12.21    1.35
   6 -14 -15    4.59    1.65
   6 -14 -14    0.28    1.51
   6 -14 -12    4.39    1.45
   6  14 -12    3.70    1.52
   6 -14 -11   23.95    1.94
   6  14 -11   22.55    2.06
   6  14 -10    3.69    1.21
   6 -14 -10    1.94    1.31
   6  14 -10    2.71    1.28
   6  14  -9   12.76    1.44
   6  14  -9   14.20    1.65
   6  14  -8    4.42    1.17
   6  14  -7   45.47    2.10
   6  14  -7   47.58    2.39
   6  14  -6   -0.08    1.02
   6  14  -6   -0.92    1.25
   6  14  -5  159.72    4.51
   6  14  -4    0.74    1.20
   6  14  -3  283.39    6.59
   6  14  -2   20.79    1.72
   6 -16 -15    4.13    1.81
   6 -16 -14    1.99    1.66
   6 -16 -13    3.36    1.62
   6 -16 -12    5.52    1.64
   6  16 -10   -0.23    1.27
   6 -16 -10    0.36    1.45
   6  16  -9   22.01    1.81
   6  16  -8    8.64    1.44
   6  16  -7   84.13    2.97
   6  16  -7   70.62    3.23
   6  16  -6   12.10    1.49
   6  16  -6   13.25    1.72
   6  16  -5   63.96    2.91
   6  16  -4   19.85    1.88
   6  16  -3   45.20    2.50
   6  16  -2   38.20    2.31
   6  16  -1   42.80    2.42
   6 -18 -15    2.16    1.77
   6 -18 -14   -0.16    1.71
   6 -18 -13    0.64    1.69
   6 -18 -12    1.53    1.61
   6 -18 -11    0.44    1.51
   6  18 -10    2.08    1.51
   6 -18 -10    0.85    1.52
   6  18  -9   23.80    2.01
   6  18  -8   11.06    1.69
   6  18  -7   19.92    1.89
   6  18  -7   20.05    2.15
   6  18  -6    9.45    1.55
   6  18  -6   11.97    1.90
   6  18  -5    8.78    1.54
   6  18  -5    5.74    1.62
   6  18  -4   10.19    1.75
   6  18  -3   -1.27    1.44
   6  18  -2   11.47    1.83
   6  18  -1   40.51    2.65
   6  18   0    8.48    1.80
   6 -20 -15   -0.84    1.85
   6 -20 -14    0.50    1.72
   6 -20 -13    2.02    1.80
   6 -20 -12    2.14    1.72
   6 -20 -11    0.32    1.64
   6 -20 -10    5.85    1.89
   6  20  -8    0.12    1.50
   6  20  -7   16.08    1.95
   6  20  -6    6.40    1.65
   6  20  -6    1.97    1.73
   6  20  -5    4.89    1.54
   6  20  -5    6.90    1.84
   6  20  -4    8.36    1.95
   6  20  -3    8.88    1.84
   6  20  -2    4.47    1.77
   6  20  -1   20.24    2.27
   6  20   0    2.73    1.73
   6  20   1   12.67    2.07
   6 -22 -15   -1.14    1.81
   6 -22 -14    4.54    1.90
   6 -22 -13   -1.19    1.92
   6 -22 -12    6.13    2.00
   6 -22 -11   -0.68    1.76
   6 -22 -10    6.61    1.93
   6 -24 -15    0.15    1.61
   6 -24 -14   -0.63    1.85
   6 -24 -13    4.10    1.94
   6 -24 -12    1.34    1.83
   6 -24 -11   -0.17    1.90
   6 -24 -10    1.56    1.83
   6 -24  -9   -0.17    1.82
   6 -26 -13    1.46    1.75
   6 -26 -12    2.31    1.67
   6 -26 -11   -2.55    1.72
   6 -26 -10    0.99    1.75
   6 -26  -9    1.02    1.79
   6 -26  -8    6.73    2.05
   6 -28 -10    1.16    1.68
   6 -28  -9    1.98    1.71
   6 -28  -8    0.95    1.72
   6 -28  -7    2.92    1.94
   7  -1  -6  190.31    3.97
   7  -1  -5  991.44   16.71
   7  -1  -4    3.51    0.72
   7  -1  -3 1072.76   17.90
   7   1  -3 1069.38   17.88
   7  -1  -2   44.46    1.47
   7   1  -2   49.62    1.47
   7  -1  -2   45.60    1.42
   7   1  -2   47.58    1.00
   7  -1  -1  479.98    7.86
   7  -1  -1  471.52    8.39
   7   1  -1  475.28    8.33
   7   1   0  283.20    4.75
   7   1   0  273.70    5.21
   7   1   0  275.45    5.09
   7  -1   0  268.00    5.24
   7  -1   0  274.05    4.80
   7   1   1  204.98    3.87
   7  -1   1  202.90    4.14
   7   1   1  196.60    4.05
   7   1   1  207.88    3.73
   7  -1   1  199.72    3.77
   7   1   2   11.89    0.71
   7   1   2   12.37    0.88
   7  -1   2   11.29    0.95
   7   1   2   13.24    0.74
   7   1   2   12.62    0.71
   7  -1   2   13.89    0.75
   7   1   3  422.95    7.60
   7   1   3  420.43    7.77
   7  -1   3  427.52    7.63
   7  -1   3  432.93    7.67
   7   1   3  431.70    7.63
   7   1   4   32.09    1.27
   7  -1   4   34.46    1.33
   7   1   4   32.21    1.28
   7  -1   5   10.32    0.96
   7   1   5   10.43    0.93
   7  -1   6    7.64    0.99
   7  -1   6    8.51    1.03
   7   1   6    6.60    0.96
   7   1   6    7.79    0.99
   7   1   6    7.98    0.99
   7   1   7   89.97    2.64
   7  -1   7   87.27    2.77
   7   1   7   86.79    2.72
   7  -1   8   19.95    1.49
   7   1   8   22.87    1.42
   7   1   8   18.05    1.46
   7  -1   9   36.87    2.06
   7   1   9   35.94    1.78
   7   1   9   34.81    1.96
   7   1  10    7.05    1.14
   7   1  10    4.70    1.27
   7  -1  10    4.35    1.30
   7  -1  11   46.93    2.55
   7   1  11   46.51    2.11
   7   1  11   48.54    2.55
   7  -1  12    0.30    1.24
   7  -1  12    0.67    1.35
   7   1  12    1.73    1.41
   7   1  13   10.56    1.82
   7  -1  13    8.96    1.84
   7   1  14    0.93    1.74
   7  -1  14    0.95    1.59
   7   1  15   14.29    2.21
   7  -3  -7  201.16    3.86
   7  -3  -7  198.89    4.15
   7  -3  -6   24.24    0.86
   7  -3  -6   24.92    1.13
   7  -3  -5  757.61   13.05
   7   3  -4   19.62    0.83
   7  -3  -4   21.44    1.08
   7  -3  -3  604.17   10.33
   7   3  -3  601.92   10.13
   7  -3  -2  152.89    3.19
   7  -3  -1  822.95   13.96
   7  -3   0  347.99    6.46
   7  -3   1 1255.30   20.44
   7  -3   2   35.26    1.09
   7   3   2   34.04    1.30
   7  -3   3  110.38    2.44
   7   3   3  107.27    2.57
   7   3   4    5.44    0.76
   7  -3   5  184.73    4.06
   7  -3   6   45.92    1.78
   7   3   6   44.78    1.76
   7   3   7    3.31    0.85
   7   3   7    2.79    0.92
   7   3   8   24.29    1.60
   7   3   8   27.54    1.42
   7   3   9   84.06    2.98
   7   3   9   89.25    2.59
   7   3  10   17.73    1.64
   7   3  10   17.72    1.30
   7   3  11   44.84    2.45
   7   3  12    2.52    1.44
   7  -3  12    4.00    1.45
   7   3  13   33.05    2.47
   7  -3  13   32.14    2.37
   7   3  14    3.38    1.64
   7  -3  14   -0.15    1.56
   7   3  15    8.53    2.16
   7  -3  15    9.17    1.88
   7  -5 -10    0.59    0.73
   7  -5  -9   33.69    1.43
   7  -5  -9   36.68    1.48
   7  -5  -8  308.93    5.85
   7  -5  -8  308.31    5.98
   7  -5  -7  100.13    2.35
   7  -5  -7   97.90    2.54
   7  -5  -6   16.27    1.02
   7   5  -5  287.25    5.45
   7  -5  -4    3.09    0.53
   7   5  -4    3.30    0.40
   7   5  -4    3.19    0.57
   7  -5  -3  776.42   13.35
   7   5  -3  797.81   12.93
   7   5  -3  788.74   13.36
   7  -5  -2  332.69    6.14
   7  -5   2  482.93    8.41
   7  -5   3   85.45    2.14
   7  -5   6   50.18    1.90
   7  -5   7   59.74    2.19
   7   5   8   16.89    1.14
   7  -5   8   17.73    1.42
   7   5   9   36.57    1.95
   7  -5   9   34.90    1.97
   7  -5  10   27.05    1.92
   7   5  10   26.46    1.91
   7  -5  11   35.75    2.27
   7   5  11   31.38    2.17
   7  -5  12   21.16    2.02
   7   5  12   20.33    2.02
   7  -5  13   11.98    1.81
   7   5  13   13.49    1.99
   7  -5  14    7.25    1.78
   7   5  14    1.70    1.70
   7  -5  15    6.49    1.76
   7   5  15   13.46    2.18
   7  -7 -11    1.85    0.91
   7  -7 -10   11.27    1.10
   7  -7 -10   10.79    0.97
   7  -7  -9    0.94    0.74
   7  -7  -9    1.03    0.74
   7  -7  -8    0.05    0.70
   7  -7  -8    0.33    0.73
   7  -7  -7   34.22    1.48
   7   7  -6  142.06    3.00
   7   7  -6  135.73    3.37
   7   7  -5    6.17    0.64
   7  -7  -5    6.26    0.59
   7   7  -4  204.23    3.88
   7  -7  -4  204.45    3.97
   7  -7  -3  303.26    5.66
   7  -7   5    1.40    0.83
   7  -7   6  117.66    3.22
   7  -7   7   49.57    2.11
   7  -7   8   26.48    1.70
   7  -7   9    1.80    1.12
   7  -7  10   42.44    2.25
   7  -7  11    6.14    1.53
   7   7  11    4.10    1.41
   7  -7  12    0.78    1.46
   7   7  12    4.81    1.60
   7  -7  13    3.47    1.62
   7   7  13    4.11    1.72
   7  -7  14    5.78    1.84
   7   7  14    1.87    1.70
   7  -9 -13    1.26    1.06
   7  -9 -12    0.27    1.00
   7   9 -11    6.36    1.19
   7  -9 -11    6.85    1.19
   7  -9 -10    6.12    0.89
   7   9 -10    7.38    1.18
   7  -9 -10    5.60    1.02
   7  -9  -9   53.27    1.86
   7  -9  -9   53.34    2.02
   7  -9  -8    0.79    0.81
   7   9  -8    1.30    0.78
   7   9  -6    4.65    1.01
   7  -9  -5   27.67    1.04
   7   9  -5   25.96    1.47
   7   9  -5   26.95    1.18
   7  -9  -4  206.84    4.04
   7   9  -4  197.91    4.57
   7   9  -3   12.80    1.11
   7  -9   6    9.17    1.19
   7  -9   7    5.33    1.16
   7  -9   8   18.99    1.64
   7  -9   9    2.24    1.20
   7  -9  10    2.71    1.33
   7  -9  11    0.89    1.49
   7  -9  12    4.09    1.69
   7   9  13    9.13    1.78
   7  -9  13   10.37    1.93
   7   9  14    4.58    1.92
   7  -9  14    8.55    1.89
   7 -11 -14   15.78    1.73
   7 -11 -13    2.46    1.35
   7 -11 -12   50.06    2.36
   7 -11 -11    3.12    1.09
   7 -11 -10   51.88    2.19
   7 -11 -10   47.08    1.78
   7 -11  -9    1.09    0.82
   7  11  -9    3.00    0.96
   7 -11  -9    3.52    1.03
   7  11  -8   63.72    2.22
   7  11  -7    4.04    0.89
   7  11  -7    3.73    1.08
   7  11  -6  166.50    3.83
   7 -11  -6  165.24    3.17
   7  11  -6  162.38    4.29
   7  11  -5    1.86    0.81
   7  11  -5    0.59    0.95
   7 -11  -5    1.24    0.60
   7  11  -4  308.22    6.65
   7 -11  -4  316.76    5.88
   7  11  -3    3.35    1.02
   7 -11  11    2.61    1.63
   7 -11  12   34.37    2.66
   7 -11  13    2.14    1.69
   7 -13 -13    1.62    1.34
   7 -13 -12   17.40    1.74
   7 -13 -11    2.68    1.25
   7 -13 -10   10.55    1.40
   7 -13  -9   18.76    1.37
   7  13  -9   18.95    1.46
   7  13  -8    1.21    0.93
   7  13  -7    6.75    1.30
   7  13  -7    4.34    1.03
   7  13  -6   40.38    1.83
   7  13  -6   46.31    2.28
   7  13  -5    3.34    1.17
   7  13  -4   71.33    2.74
   7  13  -3    7.09    1.22
   7  13  -2  113.99    3.54
   7 -15 -15   -1.62    1.73
   7 -15 -14    6.23    1.76
   7 -15 -11    1.73    1.38
   7  15 -10   11.96    1.54
   7 -15 -10   10.92    1.63
   7  15  -9   11.94    1.48
   7  15  -8   27.41    1.76
   7  15  -7    5.92    1.40
   7  15  -7    3.38    1.15
   7  15  -6   42.94    2.41
   7  15  -6   41.41    2.01
   7  15  -5    3.44    1.34
   7  15  -4  124.15    3.97
   7  15  -3   25.01    1.95
   7  15  -2   63.46    2.80
   7 -17 -15    1.10    1.70
   7 -17 -14    0.46    1.64
   7 -17 -13    6.63    1.77
   7 -17 -12    0.84    1.56
   7 -17 -11    5.41    1.68
   7  17 -10   20.18    1.85
   7  17  -9   10.09    1.53
   7  17  -8   27.94    2.01
   7  17  -7    8.18    1.47
   7  17  -7    6.86    1.73
   7  17  -6   11.18    1.47
   7  17  -6   11.90    1.77
   7  17  -5    5.02    1.31
   7  17  -5    2.62    1.48
   7  17  -4    4.16    1.43
   7  17  -3   58.60    2.93
   7  17  -2   36.21    2.37
   7  17  -1   26.92    2.18
   7 -19 -15   -1.13    1.83
   7 -19 -14    2.72    1.65
   7 -19 -13   -0.79    1.67
   7 -19 -12   -0.61    1.60
   7 -19 -11    7.37    1.89
   7 -19 -10    3.94    1.65
   7  19  -7    4.24    1.51
   7  19  -7    1.44    1.51
   7  19  -6    7.67    1.48
   7  19  -6    6.16    1.74
   7  19  -5   11.87    1.63
   7  19  -5   11.88    1.92
   7  19  -4    2.75    1.65
   7  19  -3   10.23    1.89
   7  19  -2    9.10    1.77
   7  19  -1    9.80    1.85
   7  19   0   14.45    2.05
   7 -21 -15    1.60    1.85
   7 -21 -14   -1.47    1.84
   7 -21 -13    7.55    1.99
   7 -21 -12    2.27    1.83
   7 -21 -11    1.62    1.79
   7 -21 -10   -0.32    1.70
   7  21  -5   29.91    2.74
   7  21  -4   12.86    2.19
   7  21  -3   18.22    2.35
   7  21  -2    5.81    1.87
   7  21  -1   14.59    2.24
   7  21   0    9.47    1.95
   7  21   1   14.39    2.26
   7 -23 -15    0.15    1.80
   7 -23 -14   -0.16    1.71
   7 -23 -13    3.74    1.88
   7 -23 -12   -0.33    1.72
   7 -23 -11   -0.17    1.86
   7 -23 -10    2.50    1.80
   7 -23  -9    0.67    1.75
   7 -25 -14    1.13    1.65
   7 -25 -13   -1.65    1.75
   7 -25 -12   -1.10    1.71
   7 -25 -11    1.12    1.83
   7 -25 -10   -1.65    1.76
   7 -25  -9    5.37    1.95
   7 -27 -11    0.43    1.63
   7 -27 -10    0.15    1.74
   7 -27  -9   -2.35    1.89
   7 -27  -8    0.65    1.87
   7 -29  -7    0.29    1.61
   8   0  -5    0.53    0.60
   8   0  -4 2826.29   46.00
   8   0  -3    0.39    0.66
   8   0  -2  755.73   12.94
   8   0  -1   -0.24    0.58
   8   0  -1   -0.29    0.63
   8   0   0  467.23    8.19
   8   0   0  454.45    8.29
   8   0   0  461.67    7.78
   8   0   1    0.05    0.64
   8   0   1    0.24    0.42
   8   0   2 1140.91   18.79
   8   0   2 1125.62   18.77
   8   0   3   -0.08    0.57
   8   0   3    0.28    0.56
   8   0   4  385.79    7.50
   8   0   4  394.19    7.24
   8   0   5   -0.33    0.73
   8   0   5    0.54    0.75
   8   0   5    0.53    0.82
   8   0   6  242.03    5.08
   8   0   6  239.33    5.19
   8   0   6  234.08    5.20
   8   0   7   -0.16    0.87
   8   0   7    2.37    0.99
   8   0   8    7.07    1.19
   8   0   8    9.05    1.23
   8   0   9   -1.02    1.19
   8   0   9   -0.26    1.05
   8   0  10   89.07    3.23
   8   0  10   89.45    3.01
   8   0  11    0.19    1.15
   8   0  11    1.75    1.29
   8   0  12   34.21    2.47
   8   0  12   35.92    2.06
   8   0  13   -0.74    1.62
   8   0  14   13.02    2.24
   8  -2  -7    7.54    0.86
   8  -2  -6  123.06    2.95
   8  -2  -5  318.62    6.11
   8  -2  -4   16.59    1.01
   8  -2  -4   17.21    0.47
   8  -2  -3  179.37    3.70
   8  -2  -3  177.98    3.83
   8   2  -3  183.65    3.30
   8  -2  -2   65.38    1.83
   8   2  -2   64.52    1.40
   8   2  -2   62.77    1.80
   8   2  -1  350.45    6.36
   8  -2  -1  344.10    6.47
   8  -2   0  347.25    5.85
   8   2   0  354.40    5.94
   8   2   0  350.54    6.34
   8  -2   0  360.36    6.60
   8   2   1    0.46    0.39
   8   2   1    1.09    0.67
   8  -2   1    0.73    0.35
   8   2   1    0.33    0.48
   8   2   2  270.07    4.96
   8   2   2  267.70    4.93
   8  -2   2  268.99    5.04
   8   2   3   18.63    0.94
   8   2   3   18.12    0.82
   8  -2   3   20.67    1.04
   8   2   4  132.30    2.65
   8  -2   4  128.30    3.07
   8   2   5  121.34    3.17
   8  -2   5  120.67    3.10
   8   2   6    1.79    0.84
   8   2   6    1.83    0.42
   8   2   6    2.10    0.81
   8   2   7   10.55    1.19
   8   2   7   11.68    1.15
   8  -2   7    9.94    1.17
   8   2   8    5.46    1.03
   8   2   8    3.65    1.02
   8  -2   8    3.13    1.10
   8   2   9   29.88    1.84
   8   2   9   30.73    1.69
   8  -2   9   32.78    1.97
   8   2  10    8.28    1.40
   8   2  10    8.76    1.18
   8   2  11    7.31    1.47
   8   2  12   21.19    2.10
   8  -2  12   26.38    1.96
   8   2  13    2.78    1.60
   8  -2  13    6.55    1.48
   8  -2  14    3.33    1.60
   8   2  14    6.88    1.81
   8  -2  15   -0.46    1.64
   8  -4  -8   91.69    2.49
   8  -4  -8   91.09    2.22
   8  -4  -7    1.75    0.53
   8  -4  -7    2.80    0.79
   8  -4  -6  284.70    5.08
   8  -4  -6  283.36    5.65
   8  -4  -5   28.36    1.30
   8   4  -4   31.22    1.09
   8  -4  -4   29.01    1.13
   8   4  -3   17.91    0.82
   8  -4  -3   17.19    0.92
   8  -4  -2  266.58    5.15
   8  -4  -1  253.12    5.00
   8  -4   1  222.05    4.06
   8  -4   2  489.66    8.46
   8  -4   3  192.34    3.85
   8  -4   4  280.52    5.41
   8  -4   6    3.84    0.88
   8   4   6    4.27    0.88
   8  -4   7   11.18    1.13
   8   4   7    9.97    1.01
   8   4   7    9.99    1.22
   8  -4   8   22.32    1.49
   8   4   8   23.38    1.61
   8  -4   9    0.75    1.07
   8   4   9    0.60    0.97
   8   4   9    1.35    0.86
   8   4  10   16.70    1.66
   8  -4  10   18.17    1.58
   8   4  11    8.05    1.58
   8  -4  11   10.82    1.54
   8  -4  12   16.84    1.84
   8   4  12   15.82    1.86
   8  -4  13    2.90    1.57
   8   4  13    1.90    1.58
   8  -4  14    5.47    1.66
   8   4  14    2.94    1.68
   8  -4  14    7.37    1.82
   8  -6 -11   20.50    1.34
   8  -6 -10    2.65    0.88
   8  -6 -10    1.61    0.82
   8  -6  -9    5.66    0.83
   8  -6  -9    5.13    0.85
   8  -6  -8  188.94    4.21
   8  -6  -8  189.62    3.95
   8  -6  -7  181.10    3.74
   8  -6  -7  186.82    4.13
   8   6  -5    1.70    0.43
   8  -6  -5    1.04    0.57
   8  -6  -4  214.82    4.26
   8   6  -4  214.41    4.36
   8   6  -4  221.28    3.92
   8   6  -3  298.41    5.64
   8  -6  -3  298.67    5.65
   8  -6  -2  302.03    5.79
   8  -6   3  180.59    3.77
   8  -6   5  102.06    2.76
   8  -6   6  224.00    4.95
   8  -6   7   17.98    1.42
   8  -6   8   21.77    1.55
   8  -6   9    0.39    1.08
   8   6   9    1.43    1.15
   8  -6  10    1.96    1.26
   8   6  10    0.11    1.25
   8   6  11   26.72    2.08
   8  -6  11   23.77    1.96
   8   6  12    1.91    1.47
   8  -6  12    2.07    1.47
   8   6  13    6.46    1.71
   8  -6  13    9.15    1.78
   8   6  14    2.64    1.74
   8  -6  14    3.95    1.77
   8  -8 -12    1.14    0.99
   8  -8 -11   42.70    1.86
   8  -8 -10   20.07    1.30
   8  -8 -10   16.74    1.20
   8  -8  -9    7.30    0.95
   8  -8  -9    5.85    0.91
   8  -8  -8    4.21    0.83
   8  -8  -8    5.22    0.93
   8   8  -6    1.09    0.59
   8   8  -6    2.44    0.87
   8  -8  -5  127.88    2.78
   8   8  -5  127.97    2.76
   8   8  -5  132.99    3.28
   8  -8  -4   20.99    1.05
   8   8  -4   18.18    1.18
   8   8  -4   19.30    0.89
   8  -8  -3  186.62    3.93
   8  -8   5  125.00    3.30
   8  -8   6   29.12    1.61
   8  -8   7   11.22    1.28
   8  -8   8    4.65    1.22
   8  -8   9   18.86    1.68
   8  -8  10    2.18    1.38
   8   8  11    3.71    1.46
   8  -8  11    2.11    1.42
   8  -8  12    1.47    1.53
   8   8  12   -0.84    1.56
   8  -8  13   11.63    1.90
   8   8  13   10.66    1.91
   8  -8  14    0.15    1.64
   8 -10 -13   26.43    1.81
   8 -10 -12    0.90    1.10
   8 -10 -11   27.50    1.43
   8 -10 -11   27.28    1.62
   8 -10 -10   16.64    1.24
   8 -10 -10   18.10    1.40
   8 -10  -9  117.75    3.21
   8 -10  -9  124.36    3.28
   8 -10  -8    8.97    1.10
   8  10  -8   10.61    0.99
   8  10  -7    2.48    0.79
   8  10  -7    2.13    0.96
   8 -10  -6    1.07    0.54
   8  10  -6    0.90    0.92
   8  10  -5  166.14    4.12
   8 -10  -5  167.30    3.44
   8  10  -4    1.34    0.93
   8  10  -3   51.17    2.03
   8 -10   8    6.77    1.41
   8 -10   9   15.18    1.68
   8 -10  10    1.35    1.41
   8 -10  11   18.68    2.09
   8  10  12    0.14    1.51
   8 -10  12    1.54    1.58
   8  10  13   24.30    2.33
   8 -10  13   19.95    2.27
   8 -12 -14    9.76    1.63
   8 -12 -13    7.65    1.48
   8 -12 -12    8.93    1.42
   8 -12 -11   17.64    1.57
   8 -12 -10   19.51    1.59
   8 -12 -10   22.97    1.43
   8  12  -9   16.09    1.31
   8 -12  -9   17.47    1.35
   8  12  -8   31.54    1.61
   8  12  -7   18.51    1.26
   8  12  -7   17.08    1.51
   8  12  -6   16.29    1.19
   8  12  -6   19.15    1.54
   8  12  -5   10.40    1.03
   8 -12  -5   10.81    0.88
   8  12  -5   12.17    1.34
   8  12  -4    5.72    1.09
   8  12  -3   85.28    2.89
   8  12  -2    1.27    1.08
   8 -14 -15   13.50    1.95
   8 -14 -14   -0.13    1.39
   8 -14 -12    4.95    1.48
   8 -14 -11    9.89    1.49
   8 -14 -10    5.53    1.27
   8  14  -9   -0.60    1.08
   8 -14  -9    0.25    0.98
   8  14  -8    4.69    1.09
   8  14  -7   51.44    2.14
   8  14  -7   52.20    2.54
   8  14  -6    6.18    1.09
   8  14  -6    6.21    1.28
   8  14  -5   29.99    1.60
   8  14  -5   27.68    1.95
   8 -14  -4    3.03    0.84
   8  14  -4    2.48    1.16
   8  14  -3   73.11    2.87
   8  14  -2   -0.32    1.18
   8 -16 -15   12.36    1.97
   8 -16 -14    6.62    1.71
   8 -16 -13    0.67    1.62
   8 -16 -10   26.56    2.01
   8  16  -9   24.03    1.82
   8  16  -8   21.46    1.69
   8  16  -7   13.09    1.40
   8  16  -7   13.57    1.78
   8  16  -6    1.89    1.08
   8  16  -6    1.86    1.39
   8  16  -5   18.69    1.86
   8  16  -5   22.19    1.61
   8  16  -4   11.40    1.66
   8  16  -3   23.08    1.92
   8  16  -2   41.54    2.44
   8  16  -1   67.01    3.03
   8 -18 -15   -1.22    1.70
   8 -18 -14    0.90    1.68
   8 -18 -13    0.15    1.68
   8 -18 -12    9.34    1.94
   8 -18 -11    3.17    1.56
   8 -18 -10   23.28    2.12
   8  18  -7    1.81    1.51
   8  18  -6    7.36    1.76
   8  18  -5    0.87    1.23
   8  18  -5    0.74    1.49
   8  18  -4    6.64    1.68
   8  18  -3    6.19    1.59
   8  18  -2   25.54    2.17
   8  18  -1   10.73    1.79
   8  18   0   29.15    2.33
   8 -20 -15    4.79    1.80
   8 -20 -14    0.16    1.74
   8 -20 -13    0.16    1.72
   8 -20 -12    2.90    1.82
   8 -20 -11    2.42    1.74
   8 -20 -10    2.22    1.65
   8  20  -7    1.99    1.85
   8  20  -6    2.80    1.77
   8  20  -5    6.24    1.87
   8  20  -4    0.96    1.74
   8  20  -3   10.00    1.92
   8  20  -2    3.37    1.84
   8  20  -1    8.35    1.89
   8  20   0   12.64    2.06
   8  20   1   -0.50    1.84
   8 -22 -15   -0.15    1.71
   8 -22 -14    8.04    2.03
   8 -22 -13   -2.20    1.72
   8 -22 -12    3.31    2.02
   8 -22 -11    3.82    1.87
   8 -22 -10    3.33    1.86
   8 -24 -15   -0.80    1.57
   8 -24 -14    0.58    1.66
   8 -24 -13    1.20    1.71
   8 -24 -12    1.39    1.76
   8 -24 -11   -1.74    1.82
   8 -24 -10   -0.16    1.81
   8 -24  -9    2.44    1.82
   8 -26 -13   -1.20    1.60
   8 -26 -12    0.28    1.74
   8 -26 -11    1.32    1.68
   8 -26 -10    0.61    1.73
   8 -26  -9   -0.31    1.74
   8 -26  -8    3.21    1.91
   8 -28  -9    1.26    1.67
   8 -28  -8   -0.58    1.69
   8 -28  -7   -0.45    1.65
   9  -1  -6  109.82    2.81
   9  -1  -5  249.14    5.07
   9   1  -4   56.89    1.80
   9  -1  -4   56.38    1.82
   9  -1  -3   49.29    1.68
   9   1  -3   51.64    1.65
   9   1  -2    2.86    0.27
   9   1  -2    3.19    0.68
   9  -1  -2    2.86    0.69
   9  -1  -2    2.87    0.70
   9  -1  -1    7.77    0.81
   9   1  -1    8.58    0.77
   9  -1  -1    9.60    0.46
   9   1   0   61.23    1.76
   9  -1   0   62.45    1.45
   9   1   1  174.44    3.64
   9  -1   1  178.96    3.46
   9   1   1  178.69    3.41
   9  -1   2    3.09    0.61
   9  -1   2    1.96    0.78
   9   1   2    3.39    0.60
   9   1   2    3.57    0.59
   9  -1   3  279.52    5.90
   9   1   3  275.16    5.79
   9   1   3  283.57    5.35
   9  -1   3  291.81    5.50
   9   1   3  298.27    5.47
   9  -1   4   72.29    2.42
   9   1   4   74.47    2.36
   9  -1   4   75.56    2.16
   9   1   4   76.62    1.92
   9   1   5  441.67    8.52
   9  -1   5  455.33    8.64
   9  -1   5  459.55    8.84
   9   1   5  460.01    8.72
   9  -1   5  459.72    8.48
   9   1   5  453.17    7.97
   9  -1   6   -0.08    0.98
   9   1   6    0.32    0.54
   9   1   6    1.40    0.93
   9   1   6    0.07    0.85
   9  -1   6    1.12    0.89
   9  -1   7   61.65    2.43
   9   1   7   64.64    2.32
   9  -1   7   62.53    2.40
   9   1   7   64.41    2.39
   9  -1   8   37.99    1.99
   9   1   8   35.23    1.82
   9  -1   8   36.43    1.95
   9   1   8   30.04    1.78
   9  -1   9   46.66    2.26
   9   1   9   46.77    2.12
   9  -1   9   46.66    2.30
   9   1   9   48.95    2.28
   9   1  10    8.48    1.35
   9  -1  10    6.20    1.35
   9   1  10    7.96    1.48
   9  -1  10    8.57    1.47
   9   1  11   10.23    1.42
   9  -1  11    5.16    1.39
   9   1  11   10.41    1.60
   9  -1  11   10.82    1.70
   9  -1  12    0.66    1.38
   9   1  12   -0.28    1.44
   9   1  13    4.75    1.76
   9   1  14    0.64    1.64
   9  -3  -8  117.77    3.02
   9  -3  -7  126.70    3.16
   9  -3  -6    6.22    0.88
   9  -3  -5    1.60    0.66
   9   3  -4    0.74    0.43
   9  -3  -4    1.47    0.67
   9  -3  -3   74.79    2.04
   9   3  -3   74.51    1.68
   9  -3  -2    9.42    0.88
   9   3   0   23.70    0.72
   9  -3   1  225.66    4.08
   9  -3   1  224.66    4.86
   9   3   1  226.53    4.40
   9   3   1  231.73    4.18
   9  -3   2    5.53    0.93
   9   3   2    3.89    0.59
   9   3   2    3.86    0.58
   9  -3   2    4.20    0.55
   9  -3   3  606.95   10.37
   9   3   3  599.55   10.24
   9   3   3  598.46   10.46
   9  -3   4   62.31    1.98
   9   3   4   62.49    2.07
   9   3   4   61.93    1.54
   9   3   5   73.86    2.32
   9  -3   5   79.78    2.36
   9   3   5   70.96    2.27
   9   3   6    9.55    1.10
   9   3   6   12.87    1.18
   9   3   7  111.98    3.11
   9   3   7  121.68    3.35
   9   3   8    2.34    1.01
   9   3   8    3.03    1.13
   9   3   9   18.06    1.42
   9   3   9   14.09    1.50
   9   3  10    5.00    1.09
   9   3  10    7.89    1.45
   9  -3  10    5.58    1.29
   9   3  11   17.56    1.79
   9  -3  11   19.44    1.87
   9  -3  11   20.83    1.82
   9   3  12    1.49    1.52
   9  -3  12    0.12    1.45
   9  -3  12    2.40    1.45
   9   3  13    7.82    1.86
   9  -3  13   11.15    1.79
   9  -3  13   11.61    1.84
   9  -3  14    3.50    1.68
   9   3  14    0.62    1.70
   9  -5  -9  100.85    2.83
   9  -5  -9  105.57    2.54
   9  -5  -8  188.34    4.28
   9  -5  -8  191.17    3.82
   9  -5  -7   38.34    1.64
   9  -5  -7   39.93    1.25
   9  -5  -6  152.91    3.66
   9   5  -5   62.56    1.77
   9   5  -4  189.46    3.77
   9  -5  -4  184.95    3.87
   9   5  -3   27.10    1.07
   9   5  -3   24.99    0.55
   9  -5  -3   26.51    1.20
   9  -5   0  240.27    5.08
   9  -5   2  279.34    5.18
   9  -5   3  177.59    3.67
   9  -5   5   98.91    2.70
   9  -5   6  102.87    2.88
   9   5   7   84.37    2.77
   9  -5   7   86.53    2.74
   9   5   8   -0.09    1.02
   9  -5   8    1.14    0.99
   9   5   9   11.65    1.42
   9  -5   9    8.47    1.33
   9   5  10   11.16    1.55
   9  -5  10    8.08    1.44
   9   5  11    5.06    1.50
   9  -5  11    4.05    1.38
   9   5  12    7.67    1.81
   9  -5  12    4.63    1.56
   9   5  13    3.68    1.52
   9  -5  13    3.56    1.59
   9   5  14    5.70    1.90
   9  -5  14    7.06    1.86
   9  -5  14    7.34    1.84
   9  -7 -11    4.85    0.95
   9  -7 -10   58.58    2.01
   9  -7 -10   60.94    2.11
   9  -7  -9   39.59    1.54
   9  -7  -9   39.75    1.73
   9  -7  -8   62.37    1.86
   9  -7  -8   60.95    2.15
   9  -7  -7   12.17    1.11
   9   7  -6  173.24    3.92
   9  -7  -5    0.77    0.62
   9   7  -5    0.97    0.43
   9  -7  -4  461.10    8.51
   9   7  -4  481.34    8.03
   9  -7   4  260.43    5.35
   9  -7   5   62.99    2.13
   9  -7   6  108.67    3.09
   9  -7   7    9.17    1.21
   9  -7   8   18.76    1.55
   9   7   9    4.88    1.29
   9  -7   9    4.04    1.20
   9   7  10   -0.71    1.37
   9  -7  10   -0.77    1.22
   9   7  11    0.38    1.34
   9  -7  11    1.08    1.50
   9   7  12    8.97    1.72
   9  -7  12    7.64    1.72
   9   7  13   -0.29    1.56
   9  -7  13    0.28    1.58
   9  -9 -13    0.88    1.06
   9  -9 -12   18.58    1.49
   9  -9 -11   17.98    1.39
   9  -9 -11   16.76    1.27
   9  -9 -10   10.95    1.10
   9  -9 -10   13.79    1.24
   9  -9  -9   54.92    1.95
   9  -9  -9   54.50    2.10
   9  -9  -8    7.93    1.05
   9   9  -6  151.34    3.82
   9   9  -6  153.09    3.21
   9   9  -5    7.79    0.71
   9  -9  -5    5.30    0.74
   9   9  -5    7.71    1.06
   9   9  -4  124.90    3.24
   9   9  -3   74.18    2.36
   9  -9  -2   84.05    2.49
   9  -9   6   32.42    1.80
   9  -9   7    0.91    1.12
   9  -9   8   25.77    1.86
   9  -9   9    3.67    1.31
   9  -9  10    3.74    1.40
   9   9  11    0.92    1.43
   9  -9  11    0.63    1.43
   9   9  12   -0.98    1.60
   9  -9  12   -1.07    1.59
   9   9  13    0.74    1.63
   9  -9  13    0.56    1.65
   9 -11 -14   20.27    1.78
   9 -11 -13    1.65    1.15
   9 -11 -12   35.39    1.97
   9 -11 -11    2.71    0.96
   9 -11 -11    0.92    1.04
   9 -11 -10   97.08    2.96
   9 -11 -10   94.14    2.88
   9 -11  -9   -0.59    0.94
   9 -11  -9    0.63    0.99
   9  11  -8  139.43    3.38
   9  11  -7    3.35    0.81
   9  11  -7    4.51    1.08
   9  11  -6  141.62    3.88
   9 -11  -6  138.79    2.98
   9  11  -5   19.59    1.48
   9 -11  -4  160.99    3.71
   9  11  -4  166.58    4.17
   9 -11  -3    5.27    0.97
   9  11  -3    4.73    1.02
   9  11  12    5.39    1.71
   9 -13 -13    1.48    1.33
   9 -13 -12    3.12    1.28
   9 -13 -11   -0.19    1.13
   9 -13 -10    2.99    1.06
   9 -13 -10    0.54    1.03
   9 -13  -9   16.12    1.46
   9  13  -8   58.41    2.12
   9  13  -7    2.06    1.18
   9  13  -7    3.73    0.93
   9  13  -6   34.70    1.61
   9  13  -6   34.82    2.07
   9  13  -5   19.40    1.22
   9  13  -5   23.19    1.65
   9 -13  -4    7.47    0.98
   9  13  -4    6.20    1.27
   9 -13  -3    6.94    1.05
   9  13  -3    5.97    1.12
   9  13  -2   11.45    1.43
   9 -15 -15    2.40    1.53
   9 -15 -14    5.66    1.60
   9 -15 -11    1.92    1.30
   9 -15 -10   15.62    1.66
   9 -15  -9   11.10    1.40
   9  15  -7   -0.63    1.24
   9  15  -7   -0.08    0.99
   9  15  -6   24.90    1.94
   9  15  -6   28.81    1.61
   9  15  -5    2.39    1.35
   9  15  -5    2.60    0.97
   9  15  -4    3.63    1.30
   9 -15  -3   -0.51    0.96
   9  15  -3    1.17    1.19
   9  15  -2   75.77    3.05
   9 -17 -15    1.28    1.58
   9 -17 -14    5.01    1.72
   9 -17 -13    0.41    1.44
   9 -17 -12    3.48    1.51
   9  17  -7   10.96    1.83
   9  17  -6   -0.28    1.40
   9  17  -5    6.33    1.60
   9  17  -4    2.15    1.42
   9  17  -3    8.66    1.63
   9  17  -2    8.53    1.71
   9  17  -1    6.21    1.59
   9 -19 -15    1.17    1.62
   9 -19 -14    2.62    1.69
   9 -19 -13    0.58    1.58
   9 -19 -12    2.12    1.55
   9 -19 -11    2.78    1.61
   9 -19 -10    0.27    1.54
   9  19  -7   11.52    1.97
   9  19  -6    2.05    1.58
   9  19  -5    2.65    1.62
   9  19  -4    5.35    1.74
   9  19  -3    2.12    1.52
   9  19  -2    3.36    1.70
   9  19  -1    3.04    1.68
   9  19   0    1.88    1.65
   9 -21 -15    3.91    1.64
   9 -21 -14   -0.15    1.66
   9 -21 -13    6.31    1.87
   9 -21 -12    5.08    1.87
   9 -21 -11    3.89    1.70
   9 -21 -10   -0.59    1.63
   9 -23 -15    2.42    1.57
   9 -23 -14   -0.57    1.54
   9 -23 -13    0.89    1.68
   9 -23 -12    0.75    1.68
   9 -23 -11    3.21    1.77
   9 -23 -10   -0.46    1.58
   9 -23  -9    1.55    1.69
   9 -25 -14    2.15    1.60
   9 -25 -13    1.21    1.60
   9 -25 -12   -0.28    1.65
   9 -25 -11    1.02    1.70
   9 -25 -10    1.82    1.70
   9 -25  -9    0.77    1.69
   9 -27 -11    0.78    1.60
   9 -27 -10    2.17    1.70
   9 -27  -9    0.28    1.58
   9 -27  -8    3.54    1.77
  10   0  -6  817.07   14.35
  10   0  -5   -0.24    0.64
  10   0  -4  983.83   16.87
  10   0  -3   -0.05    0.66
  10   0  -2  405.97    7.60
  10   0  -1    0.15    0.65
  10   0   0  273.37    5.39
  10   0   1    0.12    0.75
  10   0   1    0.34    0.47
  10   0   1    0.25    0.59
  10   0   2  469.00    8.61
  10   0   2  489.46    8.45
  10   0   2  470.07    8.98
  10   0   3    0.36    0.64
  10   0   3   -0.43    0.90
  10   0   4  718.25   12.50
  10   0   4  706.75   12.97
  10   0   5    0.64    0.96
  10   0   5   -0.20    0.82
  10   0   5   -0.47    0.85
  10   0   6  546.00   10.15
  10   0   6  521.80   10.28
  10   0   7   -0.09    0.90
  10   0   7   -0.54    1.01
  10   0   8  123.38    3.68
  10   0   8  122.01    3.63
  10   0   9    0.22    1.24
  10   0   9    0.99    1.19
  10   0  10   65.19    2.92
  10   0  10   62.67    2.70
  10   0  11    0.32    1.21
  10   0  11    1.57    1.49
  10  -2  -8    5.66    0.92
  10  -2  -7    0.06    0.74
  10  -2  -6   14.82    1.13
  10  -2  -5   21.47    1.22
  10  -2  -4  197.01    4.30
  10  -2  -3  499.91    9.39
  10   2  -3  518.35    8.56
  10  -2  -2   25.42    1.28
  10   2  -2   26.26    1.22
  10   2  -2   27.73    0.79
  10  -2  -2   27.40    0.70
  10   2  -1   43.91    1.51
  10  -2  -1   42.22    1.07
  10  -2   0  160.05    2.82
  10   2   0  164.50    3.50
  10  -2   0  155.20    3.73
  10  -2   0  163.02    3.13
  10  -2   1   43.79    1.76
  10   2   1   45.25    1.25
  10   2   1   43.97    1.48
  10  -2   1   45.98    1.15
  10   2   1   43.42    1.70
  10  -2   1   43.27    1.34
  10   2   2  258.61    4.73
  10  -2   2  242.93    5.36
  10   2   2  244.15    4.80
  10  -2   2  246.13    4.79
  10   2   2  245.22    5.24
  10   2   3    2.77    0.68
  10   2   3    4.15    0.67
  10   2   3    2.79    0.89
  10  -2   3    3.22    0.77
  10  -2   3    3.45    1.01
  10  -2   4  182.20    4.42
  10   2   4  187.26    3.61
  10   2   4  168.32    4.12
  10  -2   4  168.36    3.90
  10   2   5   30.62    1.10
  10  -2   5   30.01    1.72
  10   2   5   29.74    1.56
  10  -2   5   27.47    1.46
  10   2   5   27.28    1.43
  10   2   6  106.22    3.04
  10   2   6  106.96    3.10
  10  -2   6  104.69    3.32
  10   2   6  108.90    2.30
  10  -2   7   81.55    2.99
  10   2   7   89.97    2.82
  10   2   7   86.41    2.83
  10  -2   8   85.20    3.09
  10   2   8   86.70    2.86
  10   2   8   87.04    2.98
  10   2   9    2.62    1.30
  10  -2   9    0.33    1.24
  10   2   9    1.58    1.09
  10  -2  10   33.08    2.14
  10   2  10   32.09    1.88
  10   2  10   33.19    2.18
  10   2  11    1.54    1.45
  10  -2  11    1.20    1.36
  10  -2  12   10.24    1.72
  10  -2  12    6.18    1.63
  10   2  12    6.51    1.77
  10  -2  13    0.67    1.50
  10   2  13    1.63    1.60
  10  -2  14    0.86    1.65
  10   2  14    0.95    1.69
  10  -4  -9   98.89    2.86
  10  -4  -8   69.71    2.29
  10  -4  -8   69.18    1.71
  10  -4  -7    4.27    0.90
  10  -4  -7    4.91    0.53
  10  -4  -6   32.83    1.57
  10  -4  -6   33.54    0.93
  10  -4  -5    1.52    0.80
  10   4  -4    2.56    0.53
  10   4  -3  143.77    2.92
  10   4  -1  172.30    2.93
  10  -4  -1  159.87    3.87
  10   4   0  326.55    5.63
  10  -4   0  332.82    6.59
  10   4   1   11.32    0.66
  10  -4   1   10.71    0.62
  10  -4   1   10.63    1.07
  10   4   2  190.97    3.77
  10  -4   2  190.47    3.70
  10  -4   2  188.65    4.50
  10   4   3   55.23    1.67
  10  -4   3   53.66    1.61
  10  -4   4   92.46    2.57
  10   4   5   37.60    1.71
  10  -4   5   37.33    1.60
  10   4   5   35.43    1.60
  10   4   6  144.72    3.67
  10  -4   6  145.47    3.60
  10   4   6  144.50    3.69
  10   4   7    2.50    1.02
  10   4   7    2.89    0.98
  10  -4   7    2.22    0.98
  10   4   8  136.60    3.59
  10  -4   8  129.43    3.68
  10   4   8  133.36    3.82
  10   4   9   11.94    1.29
  10  -4   9   11.07    1.42
  10   4   9    9.16    1.41
  10  -4  10   14.58    1.62
  10   4  10   15.15    1.70
  10  -4  10   15.30    1.84
  10  -4  11    0.12    1.23
  10  -4  11    0.53    1.45
  10   4  11    1.54    1.44
  10  -4  12   25.46    2.13
  10   4  12   19.41    2.09
  10  -4  12   18.64    2.02
  10  -4  13    5.51    1.76
  10  -4  13    4.91    1.65
  10   4  13    5.89    1.87
  10  -4  14    2.42    1.66
  10  -6 -10   89.29    2.72
  10  -6 -10   90.74    2.40
  10  -6  -9   89.86    2.74
  10  -6  -9   90.48    2.32
  10  -6  -8   22.92    1.44
  10  -6  -8   17.70    0.97
  10  -6  -7   84.75    2.59
  10  -6  -7   81.64    1.99
  10  -6  -6  102.29    2.95
  10   6  -4   29.42    1.23
  10   6  -3  100.48    2.37
  10   6  -3   93.84    1.69
  10  -6  -2  196.36    4.37
  10  -6  -1   67.86    2.27
  10  -6   0   59.55    2.16
  10  -6   5   25.14    1.37
  10  -6   6  103.06    2.94
  10   6   7   32.06    1.78
  10  -6   7   31.18    1.71
  10   6   8   46.51    2.25
  10  -6   8   51.17    2.23
  10  -6   9   12.32    1.49
  10   6   9    9.28    1.44
  10  -6  10   16.93    1.70
  10   6  10   15.96    1.71
  10  -6  11    8.17    1.63
  10   6  11    8.32    1.63
  10  -6  12    0.63    1.47
  10   6  12   -1.10    1.66
  10  -6  13    8.14    1.78
  10  -6  13    6.32    1.95
  10   6  13    3.82    1.76
  10  -8 -12   28.88    1.59
  10  -8 -11   15.10    1.33
  10  -8 -11   14.51    1.17
  10  -8 -10    1.99    1.01
  10  -8 -10    0.12    0.85
  10  -8  -9   36.40    1.80
  10  -8  -9   36.75    1.51
  10  -8  -8   73.45    2.52
  10  -8  -8   74.53    2.12
  10  -8  -7  192.54    4.60
  10   8  -6   37.49    1.63
  10   8  -5  246.45    4.44
  10   8  -5  237.09    5.16
  10   8  -4   33.93    1.02
  10   8  -4   36.01    1.56
  10   8  -3   77.10    2.33
  10  -8  -3   75.98    2.34
  10  -8  -2    0.73    0.84
  10  -8  -1    1.66    0.84
  10  -8   5   41.85    1.80
  10  -8   6   16.86    1.39
  10  -8   7   45.50    2.08
  10  -8   8    2.36    1.12
  10  -8   9    1.88    1.22
  10   8   9    1.20    1.23
  10  -8  10   11.57    1.65
  10   8  10    8.66    1.65
  10  -8  11   11.60    1.74
  10   8  11   13.06    1.77
  10  -8  12    0.13    1.49
  10   8  12    2.22    1.65
  10  -8  13    0.68    1.60
  10   8  13    4.96    1.80
  10 -10 -13   70.10    2.62
  10 -10 -12   25.70    1.64
  10 -10 -12   29.09    1.63
  10 -10 -11   32.64    1.69
  10 -10 -11   31.81    1.69
  10 -10 -10   15.03    1.23
  10 -10 -10   16.58    1.39
  10 -10  -9   64.82    2.16
  10 -10  -9   57.83    2.33
  10 -10  -8   12.40    1.31
  10  10  -7  137.34    3.72
  10  10  -6   15.39    0.90
  10  10  -6   12.38    1.29
  10  10  -5  197.69    3.82
  10  10  -5  179.88    4.47
  10  10  -4    7.57    0.73
  10  10  -4    6.14    1.02
  10 -10  -4    5.98    0.96
  10 -10  -3   25.26    1.44
  10  10  -3   24.90    1.50
  10 -10  -2    0.87    0.88
  10  10  10   10.23    1.71
  10 -10  10    7.76    1.60
  10  10  11    9.94    1.74
  10 -10  11    8.91    1.72
  10  10  12    6.26    1.75
  10 -10  12    8.69    1.82
  10 -12 -14   11.21    1.54
  10 -12 -13   19.04    1.71
  10 -12 -12    0.91    1.18
  10 -12 -11   17.84    1.45
  10 -12 -11   14.98    1.40
  10 -12 -10   -0.43    1.08
  10 -12 -10   -1.13    1.03
  10 -12  -9   19.84    1.61
  10  12  -8   16.64    1.18
  10  12  -7   66.59    2.67
  10  12  -7   65.32    2.05
  10  12  -6   29.81    1.82
  10  12  -6   28.28    1.32
  10 -12  -5   28.01    1.37
  10  12  -5   25.55    1.71
  10 -12  -4   46.72    1.82
  10  12  -4   45.99    2.14
  10 -12  -3    9.61    1.14
  10  12  -3    8.93    1.23
  10 -12  -2   37.03    1.83
  10  12  -2   37.06    1.97
  10  12  11    5.71    1.59
  10 -14 -12   11.59    1.52
  10 -14 -11    8.99    1.44
  10 -14 -10   -0.28    1.16
  10 -14 -10    1.10    1.14
  10 -14  -9   20.23    1.69
  10  14  -7   29.88    2.00
  10  14  -6    0.80    1.22
  10  14  -5   18.13    1.66
  10  14  -4    0.22    1.16
  10 -14  -4    0.13    0.87
  10 -14  -3   48.72    2.08
  10  14  -3   52.03    2.43
  10  14  -2   20.81    1.79
  10 -16 -15    4.56    1.55
  10 -16 -14    2.93    1.52
  10 -16 -13    5.51    1.49
  10 -16 -10   -1.04    1.31
  10 -16  -9   15.73    1.70
  10  16  -7    5.87    1.55
  10  16  -6   52.57    2.74
  10  16  -5    5.76    1.49
  10  16  -4   28.06    2.06
  10  16  -3   26.95    2.12
  10 -16  -2   11.93    1.41
  10  16  -2   10.12    1.61
  10  16  -1   55.41    2.75
  10 -18 -15   -2.05    1.58
  10 -18 -14    4.76    1.70
  10 -18 -13    1.60    1.54
  10 -18 -12   -0.26    1.42
  10 -18 -11    4.69    1.50
  10 -18 -10   -0.12    1.39
  10  18  -7    0.60    1.64
  10  18  -6   17.31    2.12
  10  18  -5    1.46    1.53
  10  18  -4   14.26    1.94
  10  18  -3    2.01    1.54
  10  18  -2    6.93    1.65
  10  18  -1    9.45    1.80
  10  18   0    8.83    1.91
  10 -20 -15   -0.28    1.72
  10 -20 -14    1.26    1.71
  10 -20 -13    2.54    1.70
  10 -20 -12    0.56    1.52
  10 -20 -11    1.39    1.65
  10 -20 -10    0.55    1.52
  10  20  -6    4.23    1.95
  10  20  -5    0.65    1.78
  10  20  -4    2.39    1.74
  10  20  -3    8.22    1.86
  10  20  -2    2.56    1.70
  10  20  -1    1.44    1.73
  10  20   0    6.30    1.92
  10  20   1    1.49    1.93
  10 -22 -14    2.91    1.61
  10 -22 -13    0.28    1.68
  10 -22 -12    5.15    1.80
  10 -22 -11    0.44    1.58
  10 -22 -10    6.13    1.83
  10 -24 -13   -0.27    1.58
  10 -24 -12    2.08    1.69
  10 -24 -11    0.29    1.64
  10 -24 -10    2.64    1.74
  10 -24  -9   -1.34    1.60
  10 -26 -11   -0.91    1.49
  10 -26 -10    1.78    1.75
  10 -26  -9    0.57    1.64
  10 -26  -8    3.06    1.69
  10 -28  -8    1.16    1.64
  10 -28  -7    0.13    1.55
  11  -1  -7  477.84    9.09
  11  -1  -6   -0.14    0.72
  11  -1  -5   80.65    2.43
  11   1  -4   84.68    2.47
  11  -1  -4   86.57    2.49
  11   1  -3  187.97    4.21
  11  -1  -3  194.62    4.30
  11   1  -2   12.17    0.39
  11   1  -2   14.59    1.06
  11  -1  -2   11.62    0.99
  11  -1  -2   13.17    1.03
  11  -1  -1  343.79    6.90
  11  -1  -1  355.14    5.98
  11  -1  -1  343.77    6.82
  11   1  -1  345.91    6.71
  11  -1   0   13.74    0.48
  11  -1   0   12.81    0.70
  11  -1   0   13.90    1.07
  11   1   0   12.90    0.95
  11   1   0   13.35    1.13
  11  -1   0   12.50    1.09
  11   1   1  650.90   11.66
  11   1   1  622.39   11.25
  11  -1   1  642.31   10.89
  11  -1   1  639.19   11.67
  11  -1   2    2.15    0.65
  11   1   2    2.04    0.70
  11  -1   2    2.21    0.89
  11   1   2    2.38    0.94
  11   1   3   69.99    2.42
  11  -1   3   71.52    2.07
  11  -1   3   74.92    2.54
  11   1   3   75.00    2.08
  11   1   4   16.92    1.18
  11   1   4   17.01    1.36
  11  -1   4   15.98    1.37
  11   1   4   18.94    1.05
  11  -1   4   16.23    1.12
  11   1   5   45.88    2.03
  11  -1   5   46.46    2.15
  11   1   5   46.13    1.52
  11   1   5   43.42    1.82
  11  -1   6   72.20    2.70
  11   1   6   70.67    2.61
  11   1   6   71.67    1.93
  11   1   6   73.58    2.50
  11   1   7   65.08    2.54
  11  -1   7   68.14    2.67
  11   1   7   60.52    2.42
  11   1   8    2.03    1.11
  11  -1   8    3.51    1.26
  11   1   8    3.61    1.21
  11  -1   9   84.24    3.21
  11   1   9   88.75    3.12
  11   1   9   88.97    3.20
  11   1  10    1.85    1.32
  11  -1  10   -0.81    1.30
  11   1  10    1.80    1.44
  11  -1  11    4.98    1.52
  11   1  11    2.81    1.35
  11   1  11    6.06    1.61
  11  -1  12    0.60    1.42
  11  -1  13    3.49    1.63
  11  -3  -9  197.15    4.62
  11  -3  -8    2.00    0.92
  11  -3  -7   33.57    1.64
  11  -3  -6   43.70    1.81
  11  -3  -5  277.82    5.81
  11  -3  -4    4.67    0.86
  11   3  -3  195.03    3.58
  11  -3  -3  191.08    4.38
  11  -3  -3  194.29    4.29
  11  -3  -2   10.90    1.03
  11   3  -2   11.75    0.64
  11  -3  -1  608.28   11.11
  11  -3   0   40.79    1.79
  11  -3   0   41.05    1.23
  11   3   1  219.58    3.98
  11  -3   1  212.23    3.84
  11  -3   1  210.61    4.85
  11   3   1  208.98    4.34
  11  -3   1  204.82    4.14
  11  -3   2   20.80    0.88
  11  -3   2   23.40    1.46
  11   3   2   22.01    0.99
  11  -3   2   20.14    1.08
  11   3   2   22.52    1.09
  11  -3   3  138.62    2.95
  11  -3   3  133.96    3.18
  11   3   3  133.81    2.97
  11  -3   3  130.31    3.71
  11   3   3  136.35    3.52
  11   3   4    5.60    1.01
  11  -3   4    4.16    0.91
  11  -3   4    3.53    1.08
  11  -3   5   32.48    1.47
  11   3   5   32.42    1.70
  11  -3   5   31.07    1.93
  11   3   5   35.52    1.60
  11  -3   6   51.45    1.95
  11   3   6   55.21    2.19
  11  -3   6   48.68    2.37
  11   3   6   53.31    2.10
  11  -3   7   85.01    2.71
  11   3   7   85.99    2.85
  11  -3   7   87.17    3.21
  11   3   7   89.75    2.93
  11  -3   8    2.14    1.07
  11   3   8    4.35    1.14
  11  -3   8    1.88    1.29
  11   3   8    3.64    1.20
  11  -3   9   31.49    1.89
  11   3   9   29.83    1.83
  11  -3   9   34.45    2.21
  11   3   9   32.17    2.03
  11  -3  10    0.64    1.40
  11  -3  10    0.85    1.18
  11   3  10    0.59    1.34
  11   3  11   27.84    2.20
  11  -3  11   29.77    2.29
  11  -3  11   31.34    2.15
  11  -3  12    4.93    1.67
  11  -3  12    4.17    1.52
  11   3  12    5.53    1.64
  11  -3  13    1.33    1.63
  11  -3  13    3.09    1.64
  11   3  13    1.32    1.78
  11  -5 -10  113.35    3.24
  11  -5  -9   36.91    1.79
  11  -5  -8    3.23    0.97
  11  -5  -8    3.97    0.58
  11  -5  -7   51.07    1.33
  11  -5  -7   52.20    2.08
  11  -5  -6    5.19    0.50
  11  -5  -6    7.21    1.04
  11   5  -5  219.74    4.33
  11  -5  -5  223.82    5.01
  11   5  -4   17.54    0.93
  11  -5  -4   15.93    1.11
  11   5  -3  348.89    6.25
  11  -5  -3  333.85    6.72
  11  -5  -2  146.61    3.62
  11  -5  -1  116.96    3.19
  11   5  -1  120.17    2.15
  11  -5   0   26.62    1.56
  11   5   0   27.00    0.84
  11  -5   1    8.55    1.13
  11   5   1    9.18    0.67
  11  -5   2    2.37    0.98
  11   5   2    4.20    0.66
  11  -5   2    3.13    0.62
  11  -5   3  124.77    3.62
  11  -5   3  127.00    2.83
  11   5   4   68.29    2.12
  11  -5   5  165.72    3.81
  11   5   5  164.70    3.91
  11  -5   6   12.76    1.18
  11   5   6   12.42    1.23
  11  -5   7   57.38    2.23
  11   5   7   54.48    2.26
  11  -5   8   50.38    2.20
  11   5   8   48.17    2.26
  11   5   9    9.98    1.52
  11  -5   9   11.57    1.73
  11  -5   9   10.45    1.42
  11   5  10   17.58    1.81
  11  -5  10   16.71    1.97
  11  -5  10   16.19    1.66
  11   5  11    7.31    1.69
  11  -5  11    8.38    1.57
  11  -5  11    5.77    1.74
  11   5  12   32.03    2.45
  11  -5  12   25.88    2.17
  11  -5  12   27.54    2.43
  11  -5  13   15.98    2.19
  11   5  13   10.62    2.03
  11  -5  13   14.67    1.89
  11  -7 -11    7.52    1.16
  11  -7 -11   10.64    1.04
  11  -7 -10   11.30    0.98
  11  -7 -10   12.44    1.30
  11  -7  -9    2.92    0.72
  11  -7  -9    2.78    0.98
  11  -7  -8   32.95    1.25
  11  -7  -8   31.23    1.72
  11  -7  -7    6.86    1.09
  11   7  -6   11.98    1.02
  11  -7  -4   39.75    1.64
  11   7  -3   70.96    1.35
  11  -7  -3   76.51    2.35
  11  -7  -2    3.04    0.96
  11  -7  -1    9.84    1.19
  11  -7   0   72.45    2.56
  11  -7   1    9.43    1.26
  11  -7   4   13.67    1.11
  11  -7   5   89.83    2.62
  11  -7   6   39.25    1.82
  11   7   6   43.46    1.90
  11  -7   7   11.51    1.30
  11   7   7   12.46    1.31
  11   7   8   43.37    2.22
  11  -7   8   44.13    2.13
  11   7   9    0.54    1.27
  11  -7   9    2.12    1.27
  11  -7  10   39.91    2.30
  11   7  10   43.84    2.46
  11  -7  11    3.68    1.47
  11   7  11    6.80    1.68
  11  -7  12   12.52    1.85
  11   7  12    9.61    1.79
  11  -7  12    9.37    1.98
  11  -7  13    7.15    1.73
  11  -9 -12    6.37    1.07
  11  -9 -11   18.07    1.29
  11  -9 -11   18.25    1.48
  11  -9 -10    5.13    1.12
  11  -9 -10    5.09    0.92
  11  -9  -9   30.40    1.74
  11  -9  -9   32.09    1.43
  11  -9  -8    1.07    0.98
  11   9  -6   15.52    1.25
  11   9  -5    6.31    0.55
  11  -9  -5    6.50    0.92
  11   9  -5    4.81    0.92
  11   9  -4    1.91    0.48
  11   9  -4    2.95    0.92
  11  -9  -4    2.79    0.86
  11  -9  -3   -0.14    0.90
  11   9  -3    1.26    0.84
  11  -9  -2    1.23    0.90
  11  -9  -1    0.50    0.89
  11  -9   8   29.06    1.93
  11   9   8   32.81    1.95
  11   9   9   10.84    1.55
  11  -9   9   14.78    1.71
  11  -9  10   34.57    2.22
  11   9  10   33.84    2.32
  11  -9  11   22.24    2.07
  11   9  11   24.66    2.12
  11  -9  12    9.57    1.78
  11   9  12    6.29    1.79
  11 -11 -13    1.12    1.17
  11 -11 -12   68.23    2.51
  11 -11 -12   72.03    2.58
  11 -11 -11    2.72    1.05
  11 -11 -11    1.05    1.10
  11 -11 -10   30.61    1.63
  11 -11 -10   30.17    1.83
  11 -11  -9    0.09    1.06
  11 -11  -9   -0.40    0.83
  11 -11  -8   65.37    2.60
  11  11  -7    5.73    1.09
  11 -11  -6   77.00    2.22
  11  11  -6   77.80    2.74
  11 -11  -5    4.71    0.88
  11  11  -5    4.92    1.10
  11 -11  -4   11.97    1.14
  11  11  -4   11.41    0.82
  11  11  -4    9.50    1.24
  11 -11  -3   50.41    2.02
  11  11  -3   48.56    2.08
  11 -11  -2  101.56    3.08
  11 -11  -1   21.82    1.58
  11  11  10   38.11    2.40
  11  11  11    6.52    1.69
  11 -13 -13    1.81    1.29
  11 -13 -12   19.22    1.69
  11 -13 -11    3.62    1.15
  11 -13 -11    4.63    1.23
  11 -13 -10    3.96    1.12
  11 -13 -10    4.73    1.29
  11 -13  -9    2.83    1.22
  11  13  -7    0.64    1.11
  11  13  -6    9.19    1.38
  11  13  -5    7.43    1.32
  11 -13  -5    6.75    1.01
  11  13  -4   47.13    2.27
  11 -13  -4   46.46    1.95
  11  13  -3   90.37    3.08
  11 -13  -3   86.43    2.80
  11  13  -2    6.12    1.26
  11 -13  -2    6.02    1.24
  11 -15 -11    4.97    1.35
  11 -15 -10   25.22    1.81
  11 -15 -10   21.21    1.79
  11 -15  -9    0.11    1.28
  11  15  -7   19.79    1.87
  11  15  -6   40.03    2.36
  11  15  -5   32.08    2.15
  11  15  -4   57.62    2.66
  11  15  -3   20.35    1.85
  11 -15  -3   21.42    1.58
  11  15  -2   18.06    1.73
  11 -15  -2   15.24    1.55
  11  15  -1   19.62    1.91
  11 -17 -13    5.83    1.54
  11 -17 -12    8.53    1.65
  11  17  -7   14.19    1.92
  11  17  -6    7.43    1.68
  11  17  -5   34.37    2.42
  11  17  -4   13.76    1.85
  11  17  -3    7.19    1.67
  11  17  -2   25.34    2.16
  11 -17  -2   20.63    1.79
  11  17  -1   20.50    2.06
  11 -17  -1   21.62    1.86
  11  17   0    2.83    1.58
  11 -19 -13    9.23    1.74
  11 -19 -12    2.43    1.53
  11 -19 -11    0.13    1.60
  11 -19 -10    6.73    1.65
  11  19  -7    3.72    1.78
  11  19  -6    2.95    1.66
  11  19  -5    3.55    1.73
  11  19  -4    4.10    1.66
  11  19  -3    7.96    1.84
  11  19  -2    1.67    1.69
  11  19  -1    4.22    1.67
  11  19   0    0.47    1.76
  11 -19   0    0.72    1.51
  11  19   1   31.31    2.66
  11 -21 -12    0.27    1.38
  11 -21 -11    6.50    1.74
  11 -21 -10    3.66    1.66
  11 -23 -11    1.78    1.72
  11 -23 -10    0.70    1.51
  11 -23  -9   -1.55    1.56
  11 -25 -10    1.75    1.52
  11 -25  -9    1.52    1.61
  11 -27  -8    0.65    1.65
  12   0  -6  511.74    9.72
  12   0  -5    0.36    0.74
  12   0  -4  324.83    6.57
  12   0  -3   -0.07    0.78
  12   0  -2  162.72    3.88
  12   0  -1    0.14    0.83
  12   0  -1    0.51    0.75
  12   0   0  242.09    5.33
  12   0   0  242.85    5.11
  12   0   1    0.93    0.84
  12   0   1    1.02    0.77
  12   0   2  110.67    3.22
  12   0   2  111.75    2.89
  12   0   3    0.09    0.90
  12   0   3    0.40    0.76
  12   0   4   16.83    1.14
  12   0   4   19.11    1.48
  12   0   5    1.23    1.06
  12   0   5    1.27    0.79
  12   0   6   69.66    2.05
  12   0   6   70.08    2.70
  12   0   7   -1.15    1.14
  12   0   8   95.11    3.32
  12   0   9    0.11    1.22
  12   0  10    2.30    1.37
  12   0  11   -0.12    1.37
  12  -2  -8  203.37    4.81
  12  -2  -7   19.99    1.39
  12  -2  -6   88.72    2.73
  12  -2  -5   68.09    2.31
  12  -2  -4    2.92    0.84
  12   2  -3   22.52    1.32
  12  -2  -3   19.33    1.30
  12  -2  -2   92.55    2.68
  12  -2  -2   86.51    1.68
  12   2  -2   82.89    2.48
  12  -2  -2   87.71    2.63
  12   2  -2   88.50    1.74
  12   2  -1    1.90    0.80
  12  -2  -1    1.24    0.88
  12  -2  -1    1.48    0.41
  12  -2  -1    0.83    0.77
  12  -2   0   81.48    2.65
  12  -2   0   84.96    1.95
  12   2   0   85.70    2.40
  12   2   1    5.77    0.84
  12  -2   1    8.89    1.12
  12  -2   1    7.68    0.52
  12  -2   1    7.53    0.72
  12  -2   2    7.95    0.84
  12   2   2    5.86    1.01
  12  -2   2    7.36    1.15
  12   2   2    6.66    0.84
  12  -2   2    7.75    0.64
  12   2   3  135.92    3.13
  12  -2   3  138.43    2.95
  12   2   3  140.87    3.70
  12  -2   3  135.88    3.81
  12  -2   3  133.44    3.17
  12   2   4    2.00    0.79
  12  -2   4    2.41    0.81
  12   2   4    2.33    0.68
  12   2   4    2.71    1.00
  12  -2   4    2.03    1.08
  12   2   5   51.45    2.00
  12  -2   5   53.31    2.40
  12   2   5   54.11    2.28
  12   2   5   54.11    1.62
  12  -2   6   18.20    1.56
  12   2   6   17.06    1.48
  12   2   7    1.72    1.07
  12  -2   7    1.92    1.16
  12   2   7    0.79    1.06
  12   2   8   13.33    1.49
  12  -2   8   15.05    1.70
  12   2   8   12.59    1.49
  12   2   9    1.62    1.25
  12  -2   9    1.11    1.37
  12   2   9    0.87    1.28
  12  -2  10    9.63    1.50
  12   2  10   12.10    1.54
  12  -2  10   11.42    1.72
  12   2  10   12.63    1.70
  12  -2  11   13.31    1.73
  12  -2  11   12.77    1.80
  12   2  11   14.42    1.93
  12  -2  12   -0.62    1.44
  12  -2  12    1.57    1.53
  12  -2  13    3.82    1.63
  12  -4  -9    0.92    0.99
  12  -4  -8  101.64    3.07
  12  -4  -7    0.24    0.88
  12  -4  -6  149.97    2.62
  12  -4  -6  141.81    3.81
  12  -4  -5   16.46    0.49
  12  -4  -5   14.21    1.25
  12   4  -4   41.65    1.24
  12  -4  -4   38.35    1.77
  12  -4  -4   37.84    1.66
  12   4  -3   59.04    1.52
  12  -4  -3   57.05    2.07
  12   4  -2   50.58    1.40
  12  -4  -2   46.32    1.90
  12  -4  -1    9.10    1.12
  12  -4   0  107.87    3.17
  12  -4   1   91.85    3.01
  12   4   1   97.71    2.14
  12  -4   2   60.25    1.58
  12   4   2   60.95    1.68
  12  -4   2   59.94    1.87
  12  -4   2   59.15    2.37
  12  -4   3   66.25    2.09
  12  -4   3   66.05    2.60
  12  -4   3   68.03    1.82
  12  -4   4   41.50    2.22
  12   4   4   45.83    1.68
  12   4   5   13.20    1.16
  12  -4   5   11.37    1.02
  12  -4   5   12.31    1.53
  12   4   6    2.22    1.01
  12  -4   6    3.40    1.35
  12  -4   6    2.03    0.88
  12   4   7    8.54    1.27
  12  -4   7    6.43    1.48
  12  -4   7    7.30    1.14
  12   4   8   11.85    1.45
  12  -4   8   12.60    1.77
  12  -4   8   12.69    1.34
  12   4   9   12.00    1.56
  12  -4   9   10.34    1.45
  12  -4   9   13.39    1.85
  12  -4  10   22.53    2.13
  12  -4  10   25.74    1.91
  12   4  10   20.18    1.93
  12   4  11   26.21    2.16
  12  -4  11   28.38    2.10
  12  -4  11   29.15    2.42
  12  -4  12   14.94    1.99
  12   4  12   14.36    2.02
  12  -4  12   11.28    1.76
  12  -6 -10   86.55    2.89
  12  -6  -9  142.66    2.96
  12  -6  -9  129.18    3.72
  12  -6  -8   97.84    2.18
  12  -6  -8   93.93    3.02
  12  -6  -7    1.32    0.49
  12  -6  -7    0.95    0.99
  12  -6  -6   52.43    2.20
  12  -6  -4  148.58    3.64
  12  -6  -3    7.71    1.06
  12   6  -3    7.08    0.79
  12  -6  -2    5.68    1.01
  12  -6  -1  145.74    3.85
  12   6  -1  146.93    2.61
  12   6   0    0.96    0.44
  12  -6   0    0.43    1.01
  12   6   1  145.66    2.98
  12  -6   1  151.40    4.07
  12   6   2   68.61    1.81
  12  -6   2   60.04    2.51
  12  -6   3   78.43    2.92
  12  -6   4  150.58    4.42
  12   6   4  156.09    3.60
  12  -6   4  152.62    3.49
  12  -6   5   58.77    2.72
  12   6   5   63.08    2.15
  12  -6   5   59.54    2.05
  12  -6   6   18.35    1.81
  12   6   6   15.06    1.33
  12  -6   6   17.53    1.32
  12  -6   7   32.55    2.33
  12  -6   7   32.90    1.75
  12   6   7   31.36    1.82
  12   6   8    1.08    1.15
  12  -6   8    2.51    1.52
  12  -6   8   -0.09    1.12
  12  -6   9   52.35    2.95
  12  -6   9   47.37    2.30
  12   6   9   49.58    2.50
  12  -6  10    2.12    1.28
  12   6  10    2.96    1.41
  12  -6  10    2.58    1.74
  12  -6  11   17.44    1.87
  12  -6  11   17.41    2.24
  12   6  11   16.49    1.92
  12  -6  12   31.74    2.67
  12   6  12   33.12    2.44
  12  -8 -11    9.01    0.97
  12  -8 -11    7.44    1.29
  12  -8 -10    5.63    0.82
  12  -8 -10    5.20    1.13
  12  -8  -9   45.10    2.14
  12  -8  -9   47.75    1.60
  12  -8  -8    0.63    0.63
  12  -8  -8    0.28    1.03
  12  -8  -7   58.99    2.43
  12   8  -6    2.16    0.86
  12   8  -5   43.91    1.73
  12  -8  -5   41.04    1.74
  12   8  -4   33.30    1.54
  12  -8  -4   36.12    1.67
  12   8  -3    2.10    0.78
  12   8  -3    1.23    0.23
  12  -8  -2    1.45    0.94
  12  -8  -1  104.38    3.21
  12  -8   0    8.89    1.26
  12  -8   1  100.40    3.30
  12  -8   2   27.51    1.88
  12   8   6   17.87    1.43
  12  -8   6   19.63    1.46
  12   8   7   61.51    2.44
  12  -8   7   60.06    2.38
  12   8   8    0.50    1.17
  12  -8   8   -0.65    1.27
  12   8   9   42.98    2.33
  12  -8   9   40.99    2.22
  12   8  10   19.25    1.92
  12  -8  10   16.80    2.28
  12   8  11    2.67    1.53
  12  -8  11    2.49    1.84
  12   8  12    4.45    1.73
  12 -10 -12    6.96    1.10
  12 -10 -12    5.99    1.24
  12 -10 -11   58.38    2.45
  12 -10 -11   59.85    2.13
  12 -10 -10    7.77    0.98
  12 -10 -10    6.94    1.33
  12 -10  -9   15.26    1.15
  12 -10  -9   15.92    1.50
  12 -10  -8   -0.20    1.20
  12 -10  -6    1.41    0.81
  12  10  -6    0.56    0.92
  12 -10  -5    5.99    0.97
  12  10  -5    4.57    1.02
  12 -10  -4    8.21    1.09
  12  10  -4   10.13    1.15
  12  10  -3  104.37    3.00
  12 -10  -3  100.56    3.04
  12 -10  -2   23.03    1.55
  12 -10  -1   75.79    2.79
  12 -10   0    9.95    1.42
  12  10   8   17.04    1.69
  12  10   9   20.33    1.87
  12  10  10   10.51    1.72
  12 -12 -12   27.65    1.66
  12 -12 -12   23.31    1.73
  12 -12 -11   16.70    1.43
  12 -12 -11   17.05    1.61
  12 -12 -10   22.86    1.46
  12 -12 -10   20.02    1.74
  12 -12  -9   27.38    1.54
  12 -12  -9   23.08    1.84
  12 -12  -8    6.68    1.31
  12  12  -7   17.78    1.56
  12  12  -6    1.16    1.11
  12 -12  -5   42.35    1.79
  12  12  -5   41.80    2.07
  12 -12  -4    9.23    1.20
  12  12  -4   10.65    1.31
  12  12  -3   29.55    1.78
  12 -12  -3   31.95    1.80
  12  12  -2    5.91    1.20
  12 -12  -2    7.86    1.27
  12 -12  -1   21.86    1.74
  12 -12   0    5.58    1.33
  12 -14 -11   19.79    1.63
  12 -14 -11   20.35    1.80
  12 -14 -10    5.88    1.23
  12 -14 -10    5.23    1.41
  12 -14  -9   36.10    2.25
  12  14  -7   17.69    1.76
  12  14  -6    1.25    1.28
  12  14  -5   98.65    3.44
  12 -14  -4    1.34    1.06
  12  14  -4    0.65    1.19
  12 -14  -3   19.19    1.54
  12  14  -3   16.97    1.67
  12 -14  -2   -0.68    1.14
  12  14  -2   -1.33    1.28
  12 -14  -1    8.96    1.46
  12 -16 -10   13.99    1.60
  12 -16  -9   25.52    2.05
  12  16  -7   34.55    2.33
  12  16  -6   14.52    1.81
  12  16  -5   25.23    2.06
  12  16  -4   14.17    1.78
  12  16  -3   33.42    2.28
  12 -16  -2   14.91    1.61
  12  16  -2   11.96    1.75
  12 -16  -1   11.32    1.65
  12  16  -1   10.44    1.78
  12 -16   0   -0.24    1.40
  12 -18 -10    9.98    1.62
  12 -18  -9    8.83    1.82
  12  18  -7    7.17    1.78
  12  18  -6    3.96    1.65
  12  18  -5    1.01    1.52
  12  18  -4    7.15    1.86
  12  18  -3    5.55    1.65
  12  18  -2    7.32    1.75
  12 -18  -1    0.46    1.47
  12  18  -1    2.74    1.68
  12 -18   0   16.47    1.94
  12  18   0   14.58    2.11
  12 -20 -10    1.73    1.55
  12  20  -3    3.12    1.80
  12 -22  -9    3.94    1.58
  13  -1  -7  330.92    6.95
  13  -1  -6  137.30    3.63
  13  -1  -5   52.89    2.07
  13   1  -5   50.19    2.00
  13  -1  -4    4.68    0.93
  13   1  -4    2.92    0.89
  13   1  -3    2.72    0.86
  13  -1  -3    2.57    0.92
  13   1  -2   61.25    2.11
  13  -1  -2   54.00    2.12
  13  -1  -1    9.70    1.06
  13   1  -1    8.67    1.01
  13  -1  -1    8.12    1.12
  13  -1   0    1.44    0.25
  13  -1   0    0.14    0.90
  13  -1   0    1.58    0.90
  13  -1   1   29.76    0.90
  13   1   1   29.09    1.66
  13  -1   1   28.04    1.65
  13  -1   1   29.32    1.54
  13   1   1   29.10    1.44
  13  -1   2   54.87    2.04
  13   1   2   60.80    2.01
  13  -1   2   58.88    2.40
  13   1   2   54.09    2.29
  13  -1   2   58.88    1.77
  13  -1   3   17.79    1.28
  13   1   3   19.08    1.21
  13   1   3   19.48    1.48
  13  -1   3   18.67    1.57
  13  -1   3   18.86    1.15
  13   1   4    7.90    0.92
  13  -1   4    7.62    1.01
  13   1   4    9.54    1.26
  13  -1   4    6.18    1.30
  13   1   5   29.00    1.82
  13  -1   5   32.06    1.55
  13   1   5   31.86    1.35
  13  -1   5   30.03    1.95
  13  -1   6    3.03    0.90
  13   1   6    2.58    1.16
  13  -1   6    1.90    1.21
  13   1   7   54.78    2.54
  13  -1   7   59.55    2.69
  13   1   8   -0.22    1.25
  13  -1   8    1.57    1.38
  13   1   9   12.31    1.61
  13  -1   9   13.55    1.72
  13   1  10   -0.57    1.42
  13  -1  10    0.89    1.48
  13  -1  11   21.24    2.07
  13  -1  11   21.21    1.94
  13  -3  -9   70.46    2.64
  13  -3  -8    1.23    0.97
  13  -3  -7  157.21    4.11
  13  -3  -6   60.04    2.27
  13  -3  -5   81.61    2.67
  13  -3  -4   14.77    1.29
  13  -3  -3   48.21    0.96
  13  -3  -3   54.36    2.08
  13   3  -3   53.82    1.26
  13  -3  -3   50.90    2.06
  13  -3  -2    6.72    1.08
  13  -3  -2    8.52    0.49
  13   3  -2    8.25    0.57
  13  -3  -2   10.26    1.17
  13  -3  -1   47.70    1.28
  13  -3  -1   44.73    1.97
  13  -3   0   -0.13    0.55
  13  -3   0   -0.26    0.90
  13  -3   1   20.58    1.53
  13  -3   1   19.85    0.72
  13  -3   1   18.38    0.99
  13  -3   2   77.56    2.84
  13  -3   2   82.91    2.23
  13  -3   2   83.41    1.91
  13  -3   3   12.36    1.06
  13  -3   3   12.91    1.42
  13  -3   3   12.28    0.83
  13  -3   4    8.54    1.41
  13   3   4    9.85    1.02
  13  -3   5   22.84    1.25
  13   3   5   20.64    1.35
  13   3   5   24.13    1.69
  13  -3   5   22.37    1.81
  13   3   6    1.36    1.10
  13  -3   6    0.48    1.24
  13  -3   6    1.07    0.83
  13   3   6    0.55    0.95
  13   3   7   18.76    1.54
  13   3   7   18.60    1.64
  13  -3   7   18.44    1.85
  13  -3   7   18.70    1.41
  13   3   8   -0.10    1.19
  13  -3   8    2.88    1.53
  13  -3   8    1.38    1.12
  13   3   8    0.89    1.17
  13  -3   9   58.03    3.00
  13   3   9   59.28    2.70
  13  -3   9   59.07    2.51
  13   3   9   59.25    2.61
  13   3  10    8.62    1.65
  13  -3  10    8.00    1.49
  13  -3  10    9.58    1.83
  13  -3  11   17.66    2.08
  13   3  11   17.48    1.97
  13  -3  12    0.42    1.62
  13  -5 -10   36.36    1.93
  13  -5  -9   22.88    1.65
  13  -5  -8   93.56    3.07
  13  -5  -7   77.80    2.77
  13  -5  -6   75.95    2.69
  13  -5  -5  192.22    4.74
  13   5  -4  313.61    5.68
  13  -5  -4  295.36    6.57
  13  -5  -4  303.85    6.37
  13   5  -3  124.79    2.73
  13  -5  -3  125.39    3.39
  13   5  -2   35.06    1.26
  13  -5  -2   37.10    1.82
  13  -5  -1    3.80    1.10
  13  -5   0  215.40    5.17
  13  -5   1   10.72    1.32
  13   5   1   11.89    0.72
  13   5   2   79.70    1.98
  13  -5   2   76.91    2.21
  13  -5   2   71.42    2.83
  13  -5   3   38.54    2.19
  13  -5   3   44.16    1.44
  13   5   4   47.15    1.75
  13  -5   4   49.61    2.45
  13  -5   5   22.05    1.95
  13  -5   5   20.72    1.26
  13   5   5   23.45    1.40
  13   5   6   11.73    1.26
  13  -5   6    9.47    1.58
  13  -5   6   10.47    1.11
  13  -5   7   20.01    2.10
  13  -5   7   17.93    1.38
  13   5   7   16.75    1.48
  13   5   8   13.53    1.49
  13  -5   8   13.52    1.37
  13  -5   8   12.52    1.88
  13  -5   9   14.15    2.01
  13   5   9   19.91    1.79
  13  -5  10   20.39    2.21
  13   5  10   20.25    1.92
  13   5  11   21.69    2.09
  13  -5  11   27.34    2.50
  13   5  12    0.13    1.57
  13  -7 -11    5.98    1.24
  13  -7 -10   38.17    2.04
  13  -7  -9    5.68    1.14
  13  -7  -9    5.42    0.68
  13  -7  -8  125.95    2.67
  13  -7  -8  127.17    3.74
  13  -7  -7    1.39    0.53
  13  -7  -7    2.03    1.09
  13  -7  -6  243.59    5.75
  13   7  -5   79.97    2.34
  13  -7  -5   86.88    2.62
  13  -7  -4  148.47    3.78
  13  -7  -3   45.26    1.98
  13  -7  -2   68.48    2.49
  13   7  -1    0.31    0.29
  13  -7  -1    0.55    0.98
  13   7   0   70.84    1.60
  13  -7   0   66.55    2.65
  13   7   1   -0.09    0.55
  13  -7   1   -0.21    1.14
  13  -7   2   71.73    2.91
  13   7   2   77.88    2.01
  13  -7   3    6.02    1.27
  13  -7   4  102.84    3.78
  13   7   4  114.81    2.91
  13  -7   5   13.21    1.68
  13   7   5   15.50    1.25
  13  -7   6   22.53    2.09
  13   7   6   24.01    1.52
  13  -7   7    3.51    1.62
  13   7   7    2.83    1.17
  13  -7   8   10.39    1.85
  13   7   8   12.19    1.47
  13  -7   9    1.90    1.64
  13   7   9    3.14    1.41
  13  -7  10    2.44    1.69
  13   7  10    0.47    1.38
  13  -7  11    8.76    1.96
  13   7  11    7.49    1.73
  13  -9 -12    1.86    1.17
  13  -9 -11   37.89    2.06
  13  -9 -10   19.60    1.17
  13  -9 -10   18.22    1.62
  13  -9  -9   13.67    0.97
  13  -9  -9   12.78    1.45
  13  -9  -8  128.30    2.96
  13  -9  -8  133.94    3.97
  13  -9  -7    5.13    1.28
  13   9  -6   93.55    2.79
  13  -9  -5   25.73    1.49
  13   9  -5   26.21    1.46
  13  -9  -4   24.98    1.55
  13   9  -4   23.61    1.38
  13  -9  -3   82.91    2.77
  13   9  -3   84.50    2.54
  13  -9  -2   77.82    2.78
  13  -9  -1   74.33    2.79
  13  -9   0   28.82    1.86
  13  -9   1    9.39    1.42
  13  -9   2   17.96    1.78
  13  -9   3    4.91    1.34
  13  -9   4   17.70    1.87
  13  -9   7    4.97    1.83
  13  -9   8    7.94    1.98
  13  -9   9   12.78    2.14
  13  -9  10   -0.17    1.89
  13 -11 -12   26.26    1.87
  13 -11 -11    1.96    1.27
  13 -11 -10  108.87    3.61
  13 -11  -9    4.15    1.31
  13 -11  -9    2.12    0.83
  13 -11  -8  122.15    3.92
  13  11  -7    5.89    1.18
  13  11  -6  103.91    3.22
  13 -11  -6  109.37    2.99
  13  11  -5   -0.17    0.96
  13 -11  -5    1.54    0.95
  13  11  -4  108.74    3.26
  13 -11  -4  109.83    3.22
  13  11  -3   15.44    1.38
  13 -11  -3   15.53    1.44
  13  11  -2  163.22    4.23
  13 -11  -2  164.18    4.41
  13 -11  -1   20.84    1.72
  13 -11   0   91.39    3.32
  13 -11   1    3.58    1.27
  13 -11   2   52.35    2.68
  13 -11   9    2.47    1.86
  13 -13 -12    8.47    1.49
  13 -13 -11    7.25    1.48
  13 -13 -10   32.00    2.17
  13 -13  -9    4.30    1.45
  13 -13  -8   30.03    2.14
  13  13  -7    0.32    1.09
  13  13  -6   44.75    2.31
  13 -13  -5    1.57    1.03
  13  13  -5    1.81    1.16
  13  13  -4   31.99    1.96
  13 -13  -4   29.80    1.78
  13 -13  -3   -0.09    1.05
  13  13  -3    1.60    1.18
  13  13  -2   18.14    1.61
  13 -13  -2   19.05    1.67
  13 -13  -1   -0.33    1.25
  13 -13   0   17.61    1.76
  13 -13   1    5.96    1.55
  13 -15 -10   16.68    1.83
  13 -15  -9    3.55    1.57
  13  15  -7    1.82    1.38
  13  15  -6   28.10    2.08
  13  15  -5    1.89    1.38
  13  15  -4   62.13    2.79
  13 -15  -3   -0.19    1.18
  13  15  -3   -0.94    1.37
  13 -15  -2    9.43    1.50
  13  15  -2    8.58    1.56
  13  15  -1    5.11    1.48
  13 -15  -1    5.79    1.49
  13 -15   0    4.00    1.52
  13 -15   1   -1.07    1.52
  13 -17 -10   12.58    1.91
  13  17  -7    2.74    1.59
  13  17  -6    5.77    1.69
  13  17  -5    6.51    1.65
  13  17  -4   10.70    1.83
  13  17  -3    6.82    1.60
  13 -17  -2   11.10    1.63
  13  17  -2   11.04    1.80
  13 -17  -1    2.27    1.51
  13  17  -1    0.54    1.56
  13  17   0    0.42    1.58
  13 -17   0   -0.39    1.51
  13 -17   1    4.43    1.63
  13 -17   2    4.85    1.82
  13 -19  -9    0.42    1.66
  13  19  -7    1.06    1.61
  13  19  -6    4.21    1.70
  13  19  -5   -0.15    1.70
  13  19  -4   -1.78    1.74
  13  19  -3    3.24    1.73
  13  19  -2    1.64    1.60
  13  19  -1   11.55    2.01
  13  19   0    1.36    1.74
  13 -19   1   -0.14    1.69
  13 -21  -8    3.51    1.76
  14   0  -6  317.09    6.78
  14   0  -5   -0.84    0.93
  14   0  -4  357.29    7.35
  14   0  -3    0.08    0.90
  14   0  -2  262.01    5.75
  14   0  -1    0.60    0.91
  14   0   0  205.31    4.87
  14   0   0  202.03    4.61
  14   0   0  192.34    3.37
  14   0   1    0.75    1.02
  14   0   1    0.72    0.92
  14   0   2   63.87    2.56
  14   0   2   65.85    2.24
  14   0   3    1.73    1.09
  14   0   3    0.47    0.85
  14   0   4  181.25    4.83
  14   0   4  174.01    4.08
  14   0   5    1.21    1.19
  14   0   5    1.77    0.83
  14   0   6   94.00    3.37
  14   0   7    0.47    1.28
  14   0   8   43.81    2.47
  14   0   9    0.25    1.35
  14   0  10   39.40    2.44
  14  -2  -8   12.93    1.34
  14  -2  -7  205.45    5.02
  14  -2  -6   62.26    2.43
  14  -2  -5  127.68    3.56
  14  -2  -4   99.97    3.08
  14  -2  -3   35.48    1.82
  14  -2  -2  165.32    4.22
  14   2  -2  171.65    4.09
  14   2  -2  161.19    2.85
  14  -2  -2  168.62    4.24
  14   2  -1   27.33    1.53
  14  -2  -1   29.92    1.67
  14  -2  -1   29.48    1.72
  14  -2   0   56.51    1.54
  14  -2   0   60.17    2.38
  14  -2   0   54.97    2.21
  14   2   0   60.77    2.11
  14  -2   1   17.12    0.95
  14  -2   1   14.82    1.31
  14   2   1   14.32    1.18
  14  -2   1   14.75    1.44
  14  -2   1   14.36    0.60
  14  -2   2   25.85    1.19
  14  -2   2   26.39    1.77
  14  -2   2   22.72    1.49
  14   2   2   24.47    1.38
  14  -2   2   21.79    0.89
  14  -2   3   66.47    2.08
  14   2   3   72.80    2.72
  14  -2   3   69.56    2.78
  14   2   3   69.03    2.15
  14  -2   3   69.33    2.41
  14   2   4   18.78    1.58
  14  -2   4   18.28    1.71
  14  -2   4   17.52    1.34
  14   2   4   16.49    1.11
  14  -2   5   -0.71    1.19
  14   2   5   -1.37    1.21
  14  -2   5   -0.89    1.01
  14   2   6   35.23    2.12
  14  -2   6   31.59    2.14
  14  -2   6   35.12    1.71
  14  -2   7    0.39    1.37
  14   2   7    0.33    1.17
  14  -2   8   40.99    2.55
  14   2   8   47.28    2.42
  14  -2   9    1.90    1.51
  14   2   9    0.23    1.34
  14  -2  10   21.54    2.12
  14  -2  11    2.49    1.75
  14  -4 -10    3.52    1.13
  14  -4  -9    1.76    1.00
  14  -4  -8   92.67    3.10
  14  -4  -7   25.99    1.66
  14  -4  -6   64.50    2.50
  14  -4  -5  277.74    6.21
  14  -4  -4  195.69    4.83
  14  -4  -3   16.61    1.40
  14  -4  -3   19.03    0.60
  14   4  -3   19.52    0.84
  14  -4  -3   20.66    1.47
  14  -4  -2  143.79    3.89
  14   4  -2  138.97    2.84
  14  -4  -2  141.25    3.85
  14  -4  -2  141.01    2.71
  14  -4  -1    3.61    0.56
  14  -4  -1    1.83    1.07
  14  -4   0   62.79    1.71
  14  -4   0   55.90    2.39
  14  -4   1    1.35    0.71
  14  -4   1    1.54    1.06
  14  -4   2   72.08    2.12
  14  -4   2   71.45    2.84
  14  -4   3   11.68    1.50
  14   4   4   18.00    1.17
  14  -4   4   16.65    1.72
  14   4   5    2.43    0.91
  14  -4   5    3.53    1.42
  14   4   6   34.75    1.80
  14  -4   6   32.13    2.24
  14   4   7    5.10    1.25
  14  -4   7    2.34    1.52
  14   4   8   27.17    1.86
  14  -4   8   25.55    2.21
  14   4   9    1.95    1.36
  14  -4   9    3.82    1.60
  14   4  10   33.16    2.21
  14  -4  10   27.99    2.44
  14  -4  11    1.97    1.76
  14  -6 -11   17.05    1.52
  14  -6 -10   11.61    1.36
  14  -6  -9   47.99    2.29
  14  -6  -8   78.64    2.88
  14  -6  -7   57.75    2.49
  14  -6  -6  165.13    4.47
  14  -6  -5  194.30    4.98
  14  -6  -4  117.09    3.34
  14  -6  -3  111.94    3.31
  14  -6  -2    6.35    1.10
  14  -6  -1   42.74    2.10
  14  -6   0   65.29    2.64
  14  -6   1   28.92    1.94
  14  -6   2   55.47    1.94
  14  -6   2   61.86    2.75
  14  -6   3    2.31    1.27
  14  -6   4   32.12    2.22
  14  -6   5    5.96    1.48
  14  -6   6    9.81    1.71
  14  -6   7    1.63    1.47
  14  -6   8    2.00    1.66
  14  -6   9    6.79    1.85
  14  -6  10   11.25    2.10
  14  -8 -12    1.89    1.21
  14  -8 -11   27.49    1.91
  14  -8 -10   30.12    1.95
  14  -8  -9   59.90    2.60
  14  -8  -8    0.54    1.18
  14  -8  -7   98.38    3.41
  14   8  -6   64.45    2.10
  14  -8  -6   59.12    2.65
  14  -8  -5   50.56    2.06
  14   8  -5   46.28    1.79
  14  -8  -4   22.03    1.54
  14   8  -4   23.02    1.29
  14  -8  -3  141.63    3.91
  14   8  -3  143.23    3.42
  14  -8  -2   34.00    1.88
  14   8  -2   32.16    1.53
  14  -8  -1   44.25    2.19
  14  -8   0    6.95    1.36
  14  -8   1   11.90    1.56
  14  -8   2    2.59    1.34
  14  -8   3    4.56    1.44
  14  -8   4    7.98    1.67
  14  -8   5   -0.87    1.55
  14  -8   6    1.37    1.58
  14  -8   7    5.70    1.79
  14  -8   8    5.75    1.83
  14  -8   9   -2.36    1.96
  14 -10 -12   17.31    1.71
  14 -10 -11   56.20    2.63
  14 -10 -10   18.85    1.75
  14 -10  -9   48.99    2.49
  14 -10  -8   20.19    1.83
  14 -10  -7   51.73    2.50
  14  10  -6    4.64    1.08
  14 -10  -5   57.52    2.24
  14  10  -5   60.66    2.21
  14 -10  -4   26.09    1.67
  14  10  -4   26.39    1.54
  14 -10  -3  125.07    3.69
  14  10  -3  129.23    3.44
  14 -10  -2   65.10    2.67
  14  10  -2   65.01    2.37
  14 -10  -1  152.80    4.40
  14 -10   0    6.94    1.35
  14 -10   1   11.23    1.53
  14 -10   2    1.44    1.31
  14 -10   3    2.36    1.43
  14 -10   4    6.73    1.61
  14 -10   5   -0.92    1.66
  14 -10   6    0.48    1.65
  14 -10   7   19.95    2.31
  14 -10   8    0.17    1.91
  14 -12 -13    1.45    1.32
  14 -12 -12   -0.43    1.32
  14 -12 -11    7.98    1.64
  14 -12 -10    0.59    1.32
  14 -12  -9   28.11    2.08
  14 -12  -8    5.79    1.51
  14  12  -7   22.15    1.68
  14 -12  -6   10.36    1.20
  14  12  -6    8.21    1.34
  14 -12  -5   35.29    1.87
  14  12  -5   32.02    1.88
  14 -12  -4   -0.89    1.10
  14  12  -4    0.18    1.02
  14  12  -3   43.16    2.14
  14 -12  -3   47.50    2.25
  14 -12  -2    0.21    1.16
  14  12  -2    0.37    1.08
  14 -12  -1   52.72    2.54
  14 -12   0    0.12    1.33
  14 -12   1   10.21    1.65
  14 -12   2   14.88    1.81
  14 -12   3    1.03    1.43
  14 -12   4   10.20    1.95
  14 -12   5    5.50    1.91
  14 -12   6    2.70    1.77
  14 -12   7    8.26    2.10
  14 -14 -10    5.38    1.61
  14 -14  -9   22.81    2.04
  14 -14  -8    2.87    1.44
  14  14  -7   37.29    2.16
  14  14  -6    0.89    1.22
  14  14  -5   36.70    2.18
  14 -14  -4    1.92    1.21
  14  14  -4    0.11    1.17
  14 -14  -3   13.58    1.56
  14  14  -3   18.03    1.74
  14 -14  -2    1.10    1.27
  14  14  -2    1.96    1.32
  14 -14  -1   13.14    1.73
  14  14  -1   15.57    1.72
  14 -14   0    1.42    1.43
  14 -14   1   14.72    1.96
  14 -14   2    2.04    1.60
  14 -14   3    9.41    1.94
  14 -14   4    0.48    1.77
  14 -14   5    7.44    1.95
  14 -14   6    3.69    2.07
  14 -16 -11    5.56    1.64
  14 -16 -10    5.88    1.69
  14  16  -7   14.78    1.90
  14  16  -6    4.21    1.60
  14  16  -5   16.49    1.88
  14  16  -4    8.43    1.66
  14  16  -3   18.22    1.94
  14 -16  -2    9.01    1.64
  14  16  -2    8.27    1.70
  14 -16  -1    9.33    1.76
  14  16  -1    7.15    1.68
  14  16   0    7.13    1.68
  14 -16   0    8.67    1.70
  14 -16   1   11.68    2.04
  14 -16   2    6.51    1.84
  14 -16   3    6.53    1.93
  14 -16   4   10.34    2.05
  14 -18 -10    4.28    1.69
  14 -18  -9    0.15    1.60
  14 -18  -8    3.56    1.77
  14  18  -7    1.13    1.51
  14  18  -6    2.83    1.66
  14  18  -5    1.56    1.55
  14  18  -4   10.59    1.83
  14  18  -3    3.16    1.66
  14  18  -2   23.33    2.32
  14  18  -1    2.53    1.63
  14 -18   0   13.78    1.92
  14  18   0   14.83    2.15
  14 -18   1    3.02    1.77
  14  18   1    4.43    1.79
  14 -20  -9   -0.15    1.69
  14 -20  -8    4.65    1.96
  14 -22  -8    7.61    2.02
  14 -24  -7    2.88    1.80
  14 -26  -6    4.10    1.87
  15  -1  -7   12.06    1.37
  15  -1  -6    2.74    1.05
  15  -1  -5  196.60    4.89
  15  -1  -4    4.53    1.06
  15   1  -4    3.43    1.06
  15   1  -3  230.51    5.22
  15  -1  -3  213.60    5.21
  15   1  -2    2.28    0.97
  15  -1  -2    1.91    1.01
  15  -1  -1  302.22    6.74
  15   1  -1  306.61    6.45
  15  -1  -1  302.98    6.56
  15  -1   0   14.79    1.46
  15   1   0   16.75    1.30
  15  -1   0   14.81    1.37
  15  -1   1   32.89    1.96
  15   1   1   37.65    1.73
  15  -1   1   33.73    1.75
  15   1   2   21.22    1.69
  15  -1   2   21.54    1.73
  15   1   2   21.47    1.39
  15  -1   2   21.79    1.50
  15   1   3  145.04    4.24
  15  -1   3  144.58    4.29
  15   1   3  141.23    3.58
  15  -1   3  146.89    3.76
  15  -1   4    2.31    1.03
  15  -1   4   -0.12    1.19
  15   1   4    1.46    1.19
  15   1   4    1.88    0.92
  15   1   5   74.06    2.99
  15  -1   5   66.73    2.95
  15  -1   5   72.46    2.41
  15   1   6   -1.18    1.20
  15  -1   6    0.38    1.33
  15   1   7    8.62    1.55
  15  -1   7   10.39    1.65
  15  -1   8    0.27    1.44
  15   1   8    1.74    1.36
  15  -1   9   -1.22    1.54
  15   1   9   -0.88    1.49
  15  -1  10    2.60    1.55
  15   1  10   -0.25    1.43
  15  -1  11    2.30    1.64
  15  -3  -9    8.80    1.28
  15  -3  -8    1.63    1.03
  15  -3  -7   48.88    2.26
  15  -3  -6    0.88    1.00
  15  -3  -5   58.79    2.42
  15  -3  -4    1.06    0.98
  15  -3  -3  408.82    8.44
  15  -3  -2   -0.76    1.03
  15   3  -2   -0.14    0.41
  15  -3  -2    0.19    0.97
  15  -3  -1  112.47    3.54
  15  -3  -1  118.93    3.51
  15  -3   0    7.65    1.27
  15  -3   0    8.55    1.17
  15  -3   1  196.43    5.16
  15  -3   1  197.42    4.90
  15  -3   2    8.16    1.36
  15  -3   2    8.33    1.23
  15  -3   3   24.27    1.88
  15  -3   4    3.98    1.42
  15  -3   5   28.06    1.70
  15  -3   5   30.07    2.09
  15  -3   6    6.23    1.52
  15  -3   6    1.72    1.06
  15  -3   7   14.87    1.94
  15  -3   8    0.58    1.54
  15  -3   9    1.77    1.64
  15  -3  10    4.62    1.81
  15  -5 -10   12.78    1.48
  15  -5  -9   34.44    2.01
  15  -5  -8   -0.21    1.10
  15  -5  -7  108.62    3.53
  15  -5  -6   44.23    2.22
  15  -5  -5   70.32    2.77
  15   5  -4   48.81    1.41
  15  -5  -4   48.74    2.33
  15  -5  -3   84.91    2.85
  15  -5  -3   76.87    2.91
  15   5  -3   80.69    1.94
  15  -5  -2   55.83    2.39
  15   5  -2   54.05    1.55
  15  -5  -1  120.31    3.69
  15  -5   0   27.76    1.87
  15  -5   1  178.83    4.95
  15  -5   2   19.47    1.77
  15  -5   3   34.37    2.25
  15  -5   4    4.76    1.44
  15  -5   5    4.14    1.46
  15  -5   6   -1.58    1.57
  15  -5   7    2.24    1.61
  15  -5   8    8.80    1.84
  15  -5   9   12.98    2.21
  15  -5  10   13.30    2.14
  15  -7 -11    1.12    1.28
  15  -7 -10   12.80    1.58
  15  -7  -9   10.34    1.44
  15  -7  -8   13.27    1.57
  15  -7  -7   28.80    1.95
  15  -7  -6   19.66    1.73
  15  -7  -5   22.68    1.78
  15   7  -5   23.39    1.21
  15  -7  -4  105.55    3.28
  15  -7  -3    3.82    1.10
  15  -7  -2   31.64    1.91
  15   7  -2   31.03    1.39
  15  -7  -1   52.51    2.48
  15  -7   0   12.19    1.55
  15  -7   1   25.07    1.98
  15  -7   2   12.66    1.67
  15  -7   3   14.80    1.77
  15  -7   4   22.44    2.08
  15  -7   5    4.12    1.47
  15  -7   6    5.99    1.69
  15  -7   7    0.48    1.69
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  15 -11 -11    0.71    1.38
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  15 -11  -8   23.40    2.00
  15 -11  -7    1.03    1.28
  15  11  -6   29.51    1.75
  15 -11  -5    1.84    1.04
  15  11  -5    2.72    1.07
  15 -11  -4   39.51    2.08
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  17 -13 -11    0.29    1.50
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  18   0   0   89.87    3.05
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  27 -15  -6    3.04    2.03
  27 -15  -5    0.86    1.86
  27 -15  -4    1.06    1.98
  27 -15  -3    0.83    1.85
  27 -15  -2    2.03    2.00
  27 -15  -1   -1.75    1.95
  27 -15   0    1.48    2.01
  27 -15   1    0.87    1.84
  27 -15   2   -0.48    1.76
  27 -17 -10    0.19    1.87
  27 -17  -9    3.11    1.91
  27 -17  -8    1.99    1.84
  27 -17  -7    0.40    1.87
  27 -17  -6    3.70    2.09
  27 -17  -5    2.45    2.05
  27 -17  -4    1.41    1.94
  27 -17  -3    1.39    1.88
  27 -17  -2    2.50    1.97
  27 -17  -1    1.47    1.86
  27 -17   0   -1.22    1.82
  27 -19  -8    1.07    1.83
  27 -19  -7    1.82    1.94
  27 -19  -6    0.19    1.84
  27 -19  -5    1.49    1.91
  27 -19  -4    1.28    1.94
  28  -6  -3    2.32    1.94
  28  -6  -2   -0.92    1.87
  28  -8  -7    2.19    2.01
  28  -8  -6   -0.65    2.04
  28  -8  -5    1.69    1.97
  28  -8  -4    1.03    2.00
  28  -8  -3    0.60    2.05
  28  -8  -2    0.95    1.89
  28  -8  -1    3.08    1.84
  28  -8   0    0.17    1.74
  28  -8   1   -3.32    1.85
  28 -10  -8    2.67    1.89
  28 -10  -7    4.20    1.99
  28 -10  -6    3.05    2.09
  28 -10  -5    3.84    1.87
  28 -10  -4    0.21    1.85
  28 -10  -3    3.05    2.05
  28 -10  -2    1.18    2.11
  28 -10  -1    2.43    1.92
  28 -10   0    0.70    1.78
  28 -10   1    3.41    1.77
  28 -12  -9    8.31    2.23
  28 -12  -8    0.22    1.93
  28 -12  -7    3.28    2.06
  28 -12  -6    1.74    2.03
  28 -12  -5    4.51    2.12
  28 -12  -4    0.21    1.90
  28 -12  -3   -0.20    1.97
  28 -12  -2   -0.79    1.96
  28 -12  -1    3.02    2.04
  28 -12   0    1.06    1.80
  28 -12   1    0.16    1.74
  28 -12   2    1.64    1.68
  28 -14  -9    1.05    2.02
  28 -14  -8   -2.97    2.22
  28 -14  -7    3.19    2.01
  28 -14  -6   -0.42    2.02
  28 -14  -5    2.74    2.01
  28 -14  -4    0.62    1.93
  28 -14  -3    3.03    2.08
  28 -14  -2    0.59    1.88
  28 -14  -1    1.30    1.91
  28 -14   0   -1.40    1.92
  28 -14   1    1.13    1.88
  28 -16 -10    0.57    1.90
  28 -16  -9   -0.39    1.92
  28 -16  -8    1.39    1.99
  28 -16  -7    4.22    2.02
  28 -16  -6    3.82    2.03
  28 -16  -5    4.81    2.10
  28 -16  -4   -1.19    2.05
  28 -16  -3   -1.54    2.11
  28 -16  -2   -0.74    1.84
  28 -16  -1   -0.35    1.88
  28 -18  -8    2.69    1.94
  28 -18  -7    3.46    1.99
  28 -18  -6    0.55    1.95
  28 -18  -5    2.56    2.08
  29  -9  -6    1.51    2.01
  29  -9  -5    0.21    1.85
  29  -9  -4    4.28    2.08
  29  -9  -3    0.20    1.94
  29  -9  -2   -1.12    2.00
  29  -9  -1   -0.18    1.82
  29  -9   0   -0.65    1.81
  29 -11  -7    1.30    2.06
  29 -11  -6    2.78    2.10
  29 -11  -5   -1.47    2.02
  29 -11  -4   -0.20    2.05
  29 -11  -3    2.16    1.96
  29 -11  -2    4.49    2.04
  29 -11  -1    0.35    1.76
  29 -11   0   -0.82    1.70
  29 -11   1   -0.60    1.72
  29 -13  -8   -1.48    2.11
  29 -13  -7   -1.89    2.03
  29 -13  -6    1.25    1.99
  29 -13  -5    0.82    1.83
  29 -13  -4    2.19    1.97
  29 -13  -3    0.19    1.95
  29 -13  -2   -3.50    2.11
  29 -13  -1   -0.17    1.84
  29 -13   0    2.58    1.88
  29 -15  -9    2.94    2.00
  29 -15  -8    0.79    1.94
  29 -15  -7   -0.79    1.88
  29 -15  -6    1.38    1.94
  29 -15  -5    0.58    1.93
  29 -15  -4    0.57    1.94
  29 -15  -3    2.75    1.90
  29 -15  -2   -0.70    1.85
  30 -10  -4    2.94    2.02
  30 -10  -3    2.62    1.94
  30 -10  -2    1.06    1.84
  30 -10  -1    2.14    1.77
  30 -12  -6    0.41    1.93
  30 -12  -5    5.54    2.03
  30 -12  -4   -1.72    1.95
  30 -12  -3    1.83    2.01
  30 -12  -2    0.87    1.78
  30 -12  -1    0.32    1.92
  30 -14  -7    0.78    1.79
  30 -14  -6    2.11    1.90
  30 -14  -5    1.13    1.92
  30 -14  -4    1.82    1.92
  30 -14  -3   -0.17    1.87
   0   0   0    0.00    0.00


TITL HM_Yann_D1Zn NO3_June2021_auto in Cc
REM Cc (#9 in standard setting)
CELL 0.71073  15.354263  13.618211  11.418070  90.0000 109.5073  90.0000
ZERR    4.00   0.000460   0.000359   0.000324   0.0000   0.0032   0.0000
LATT -7
SYMM  x,-y, z+1/2
SFAC C H N O Zn
UNIT 64.00 100.00 32.00 32.00 4.00
REM  CrysAlisPro recorded range (K): Min=149.9; max=150.0; aver:150.0
TEMP -123
TREF
HKLF 4
END
_computing_structure_solution     'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum              69712

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yg_D1Co
_database_code_depnum_ccdc_archive 'CCDC 2287512'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_yg_D1Co             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         12 Note
RESPONSE: Due to weak reflections
;
# Added during the CSD deposition process: Tuesday 08 August 2023 01:36 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C24 H33 Co N15), 4(Cl O4), C4 H10 O'
_chemical_formula_sum            'C52 H76 Cl4 Co2 N30 O17'
_chemical_formula_weight         1653.08

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7384(12)
_cell_length_b                   11.7537(11)
_cell_length_c                   15.3103(9)
_cell_angle_alpha                80.114(7)
_cell_angle_beta                 78.156(8)
_cell_angle_gamma                73.278(9)
_cell_volume                     1965.6(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6939
_cell_measurement_theta_min      3.2330
_cell_measurement_theta_max      26.0420

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_F_000             856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    0.637
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.61437
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?



_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'72 images, ΔΦ 2.5° '
'72 images, ΔΦ 2.5° (2nd orientation)'
;

_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27103
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.035
_diffrn_reflns_theta_max         26.203
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7827
_reflns_number_gt                6779
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       MAR
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_atom_sites_solution_primary     'dual space'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  
;
'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'
;





_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0783P)²+0.9212P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7827
_refine_ls_number_parameters     551
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1458
_refine_ls_wR_factor_gt          0.1397
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.33772(3) 0.64635(3) 0.26643(2) 0.04022(12) Uani 1 1 d . . . . .
N2 N 0.14680(19) 0.73641(18) 0.27821(15) 0.0453(5) Uani 1 1 d . . . . .
C3 C 0.0454(2) 0.7361(2) 0.25243(19) 0.0507(6) Uani 1 1 d . . . . .
C4 C -0.0481(3) 0.8336(3) 0.2804(2) 0.0603(7) Uani 1 1 d . . . . .
H4 H -0.127138 0.852391 0.270021 0.072 Uiso 1 1 calc R U . . .
C5 C -0.0025(2) 0.8960(3) 0.3255(2) 0.0582(7) Uani 1 1 d . . . . .
N6 N 0.11582(19) 0.83603(19) 0.32329(15) 0.0474(5) Uani 1 1 d . . . . .
C7 C 0.0392(3) 0.6423(3) 0.2007(3) 0.0751(10) Uani 1 1 d . . . . .
H7A H -0.043553 0.648295 0.198800 0.113 Uiso 1 1 calc R U . . .
H7B H 0.075485 0.564696 0.229376 0.113 Uiso 1 1 calc R U . . .
H7C H 0.081802 0.653428 0.140583 0.113 Uiso 1 1 calc R U . . .
C8 C -0.0592(3) 1.0066(4) 0.3705(3) 0.0948(14) Uani 1 1 d . . . . .
H8A H -0.142071 1.036152 0.362547 0.142 Uiso 1 1 calc R U . . .
H8B H -0.017013 1.066395 0.344447 0.142 Uiso 1 1 calc R U . . .
H8C H -0.055016 0.988347 0.433551 0.142 Uiso 1 1 calc R U . . .
C9 C 0.2094(2) 0.8625(2) 0.35187(17) 0.0433(5) Uani 1 1 d . . . . .
N10 N 0.32330(18) 0.79684(18) 0.32883(14) 0.0435(5) Uani 1 1 d . . . . .
C11 C 0.3871(2) 0.8468(2) 0.36594(18) 0.0487(6) Uani 1 1 d . . . . .
H11 H 0.470318 0.821936 0.363249 0.058 Uiso 1 1 calc R U . . .
N12 N 0.3142(2) 0.9369(2) 0.40711(16) 0.0522(5) Uani 1 1 d . . . . .
N13 N 0.1963(2) 0.9487(2) 0.39986(17) 0.0572(6) Uani 1 1 d . . . . .
C14 C 0.3425(3) 1.0179(3) 0.4573(3) 0.0740(9) Uani 1 1 d . . . . .
H14A H 0.428387 1.004252 0.449893 0.111 Uiso 1 1 calc R U . . .
H14B H 0.310552 1.003204 0.519846 0.111 Uiso 1 1 calc R U . . .
H14C H 0.307085 1.099225 0.434915 0.111 Uiso 1 1 calc R U . . .
N22 N 0.3621(2) 0.71937(18) 0.12578(14) 0.0473(5) Uani 1 1 d . . . . .
C23 C 0.3619(3) 0.8229(2) 0.0749(2) 0.0596(7) Uani 1 1 d . . . . .
C24 C 0.3550(3) 0.8148(3) -0.0137(2) 0.0662(8) Uani 1 1 d . . . . .
H24 H 0.353805 0.875714 -0.061414 0.079 Uiso 1 1 calc R U . . .
C25 C 0.3505(3) 0.7015(3) -0.01723(19) 0.0562(7) Uani 1 1 d . . . . .
N26 N 0.3546(2) 0.64485(18) 0.06812(14) 0.0445(5) Uani 1 1 d . . . . .
C27 C 0.3700(5) 0.9295(3) 0.1119(3) 0.0898(13) Uani 1 1 d . . . . .
H27A H 0.366295 0.995907 0.065341 0.135 Uiso 1 1 calc R U . . .
H27B H 0.444893 0.911283 0.134032 0.135 Uiso 1 1 calc R U . . .
H27C H 0.304076 0.949841 0.160190 0.135 Uiso 1 1 calc R U . . .
C28 C 0.3405(4) 0.6423(3) -0.0933(2) 0.0747(9) Uani 1 1 d . . . . .
H28A H 0.341575 0.697213 -0.147468 0.112 Uiso 1 1 calc R U . . .
H28B H 0.266363 0.618855 -0.080190 0.112 Uiso 1 1 calc R U . . .
H28C H 0.407258 0.572813 -0.101010 0.112 Uiso 1 1 calc R U . . .
C29 C 0.3457(2) 0.5308(2) 0.10679(17) 0.0443(5) Uani 1 1 d . . . . .
N30 N 0.3400(2) 0.50408(18) 0.19665(15) 0.0481(5) Uani 1 1 d . . . . .
C31 C 0.3305(3) 0.3920(2) 0.2099(2) 0.0572(7) Uani 1 1 d . . . . .
H31 H 0.325045 0.345273 0.265400 0.069 Uiso 1 1 calc R U . . .
N32 N 0.3301(2) 0.3576(2) 0.13314(19) 0.0615(6) Uani 1 1 d . . . . .
N33 N 0.3400(2) 0.4461(2) 0.06305(17) 0.0575(6) Uani 1 1 d . . . . .
C34 C 0.3182(4) 0.2422(3) 0.1164(3) 0.0907(13) Uani 1 1 d . . . . .
H34A H 0.325605 0.186277 0.169858 0.136 Uiso 1 1 calc R U . . .
H34B H 0.380583 0.211647 0.068422 0.136 Uiso 1 1 calc R U . . .
H34C H 0.240812 0.253315 0.099834 0.136 Uiso 1 1 calc R U . . .
N42 N 0.52344(19) 0.56420(18) 0.28543(14) 0.0438(5) Uani 1 1 d . . . . .
C43 C 0.6358(2) 0.5624(2) 0.24587(18) 0.0497(6) Uani 1 1 d . . . . .
C44 C 0.7179(3) 0.4659(3) 0.2868(2) 0.0553(7) Uani 1 1 d . . . . .
H44 H 0.801430 0.445930 0.271188 0.066 Uiso 1 1 calc R U . . .
C45 C 0.6521(2) 0.4070(2) 0.35379(18) 0.0490(6) Uani 1 1 d . . . . .
N46 N 0.53444(18) 0.46864(18) 0.35231(14) 0.0432(5) Uani 1 1 d . . . . .
C47 C 0.6610(3) 0.6537(3) 0.1704(2) 0.0690(8) Uani 1 1 d . . . . .
H47A H 0.745625 0.649302 0.159097 0.103 Uiso 1 1 calc R U . . .
H47B H 0.615864 0.731822 0.185704 0.103 Uiso 1 1 calc R U . . .
H47C H 0.637981 0.639206 0.117544 0.103 Uiso 1 1 calc R U . . .
C48 C 0.6890(3) 0.2992(3) 0.4184(2) 0.0665(8) Uani 1 1 d . . . . .
H48A H 0.775163 0.268974 0.407311 0.100 Uiso 1 1 calc R U . . .
H48B H 0.652372 0.238986 0.410943 0.100 Uiso 1 1 calc R U . . .
H48C H 0.663310 0.319910 0.478608 0.100 Uiso 1 1 calc R U . . .
C49 C 0.4273(2) 0.4549(2) 0.40722(16) 0.0416(5) Uani 1 1 d . . . . .
N50 N 0.32244(18) 0.53202(18) 0.38864(14) 0.0443(5) Uani 1 1 d . . . . .
Cl51 Cl 0.04954(7) 0.32305(8) 0.38307(6) 0.0698(2) Uani 1 1 d . . . . .
C51 C 0.2409(2) 0.4945(2) 0.45205(18) 0.0495(6) Uani 1 1 d . . . . .
H51 H 0.157991 0.527983 0.458240 0.059 Uiso 1 1 calc R U . . .
O52 O 0.1744(2) 0.2855(3) 0.3828(3) 0.1144(11) Uani 1 1 d . . . . .
N52 N 0.2953(2) 0.4025(2) 0.50496(15) 0.0507(5) Uani 1 1 d . . . . .
O53 O 0.0205(5) 0.3038(5) 0.3046(3) 0.1662(19) Uani 1 1 d . . . . .
N53 N 0.4182(2) 0.3739(2) 0.47695(15) 0.0505(5) Uani 1 1 d . . . . .
O54 O -0.0085(4) 0.2596(4) 0.4570(3) 0.1524(16) Uani 1 1 d . . . . .
C54 C 0.2408(3) 0.3279(3) 0.5783(2) 0.0654(8) Uani 1 1 d . . . . .
H54A H 0.155758 0.364071 0.591956 0.098 Uiso 1 1 calc R U . . .
H54B H 0.276976 0.320582 0.630535 0.098 Uiso 1 1 calc R U . . .
H54C H 0.253847 0.250012 0.560715 0.098 Uiso 1 1 calc R U . . .
O55 O 0.0087(4) 0.4467(3) 0.3923(3) 0.1299(13) Uani 1 1 d . . . . .
Cl56 Cl 0.3921(6) 0.9530(7) 0.7358(4) 0.0680(15) Uani 0.563(17) 1 d D . P A 1
O57 O 0.3681(13) 1.0461(11) 0.6659(7) 0.136(6) Uani 0.563(17) 1 d D . P A 1
O58 O 0.4589(14) 0.8472(8) 0.7022(11) 0.183(6) Uani 0.563(17) 1 d D . P A 1
O59 O 0.4671(16) 0.9749(17) 0.7850(10) 0.175(9) Uani 0.563(17) 1 d D . P A 1
O60 O 0.2857(7) 0.9390(11) 0.7856(7) 0.138(6) Uani 0.563(17) 1 d D . P A 1
Cl6B Cl 0.3881(7) 0.9745(9) 0.7385(6) 0.0631(15) Uani 0.437(17) 1 d D . P A 2
O57B O 0.3800(14) 1.0509(9) 0.6579(7) 0.076(4) Uani 0.437(17) 1 d D . P A 2
O58B O 0.3164(18) 0.8964(15) 0.7514(14) 0.185(10) Uani 0.437(17) 1 d D . P A 2
O59B O 0.5019(8) 0.9022(19) 0.7443(11) 0.153(9) Uani 0.437(17) 1 d D . P A 2
O60B O 0.355(2) 1.0397(9) 0.8094(7) 0.162(8) Uani 0.437(17) 1 d D . P A 2
C91 C -0.002(4) 0.473(2) 0.0191(17) 0.194(6) Uani 0.5 1 d D U P B -3
H91A H -0.024842 0.548968 0.041663 0.291 Uiso 0.5 1 calc R U P B -3
H91B H 0.080902 0.456448 -0.009687 0.291 Uiso 0.5 1 calc R U P B -3
H91C H -0.052116 0.474448 -0.023502 0.291 Uiso 0.5 1 calc R U P B -3
C92 C -0.013(3) 0.399(2) 0.0781(15) 0.252(9) Uani 0.5 1 d D U P B -3
H92A H -0.096724 0.413102 0.107927 0.302 Uiso 0.5 1 calc R U P B -3
H92B H 0.037233 0.394974 0.121839 0.302 Uiso 0.5 1 calc R U P B -3
O93 O 0.0253(15) 0.2846(13) 0.0341(11) 0.240(5) Uani 0.5 1 d D U P B -3
C94 C 0.002(2) 0.174(2) 0.0962(16) 0.252(9) Uani 0.5 1 d D U P B -3
H94A H 0.053392 0.149620 0.141937 0.303 Uiso 0.5 1 calc R U P B -3
H94B H -0.081616 0.187472 0.124902 0.303 Uiso 0.5 1 calc R U P B -3
C95 C 0.027(2) 0.103(2) 0.0462(18) 0.278(10) Uani 0.5 1 d D U P B -3
H95A H 0.015390 0.027953 0.078227 0.417 Uiso 0.5 1 calc R U P B -3
H95B H -0.024352 0.129467 0.001102 0.417 Uiso 0.5 1 calc R U P B -3
H95C H 0.109464 0.091950 0.017986 0.417 Uiso 0.5 1 calc R U P B -3

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
Co1 0.0454(2) 0.03346(18) 0.0417(2) -0.00469(13) -0.01069(14) -0.00759(13)
N2 0.0469(11) 0.0399(11) 0.0525(12) -0.0100(9) -0.0152(9) -0.0096(9)
C3 0.0474(14) 0.0502(15) 0.0581(16) -0.0058(12) -0.0161(12) -0.0137(11)
C4 0.0445(15) 0.0634(18) 0.0736(19) -0.0108(15) -0.0167(13) -0.0090(13)
C5 0.0426(14) 0.0580(17) 0.0723(19) -0.0194(15) -0.0109(13) -0.0029(12)
N6 0.0440(11) 0.0443(11) 0.0549(13) -0.0150(10) -0.0138(9) -0.0041(9)
C7 0.065(2) 0.073(2) 0.103(3) -0.031(2) -0.0336(18) -0.0160(16)
C8 0.058(2) 0.095(3) 0.133(4) -0.066(3) -0.018(2) 0.0114(18)
C9 0.0463(13) 0.0392(12) 0.0457(13) -0.0089(10) -0.0108(10) -0.0086(10)
N10 0.0435(11) 0.0401(11) 0.0482(12) -0.0085(9) -0.0115(9) -0.0083(9)
C11 0.0494(14) 0.0477(14) 0.0529(15) -0.0090(12) -0.0155(11) -0.0121(11)
N12 0.0537(13) 0.0513(13) 0.0575(13) -0.0169(11) -0.0147(10) -0.0132(10)
N13 0.0526(13) 0.0565(14) 0.0673(15) -0.0268(12) -0.0132(11) -0.0085(11)
C14 0.079(2) 0.074(2) 0.086(2) -0.0374(19) -0.0210(18) -0.0261(17)
N22 0.0655(14) 0.0341(10) 0.0459(12) -0.0040(9) -0.0136(10) -0.0158(9)
C23 0.088(2) 0.0406(14) 0.0531(16) 0.0021(12) -0.0153(15) -0.0227(14)
C24 0.105(3) 0.0493(16) 0.0462(15) 0.0050(12) -0.0189(16) -0.0243(16)
C25 0.0717(19) 0.0519(16) 0.0442(14) -0.0025(12) -0.0134(13) -0.0140(13)
N26 0.0574(13) 0.0376(10) 0.0399(11) -0.0067(8) -0.0101(9) -0.0120(9)
C27 0.161(4) 0.0494(18) 0.073(2) 0.0005(16) -0.029(2) -0.048(2)
C28 0.109(3) 0.069(2) 0.0494(17) -0.0085(15) -0.0228(17) -0.0220(19)
C29 0.0487(14) 0.0356(12) 0.0491(14) -0.0080(10) -0.0109(11) -0.0082(10)
N30 0.0613(13) 0.0334(10) 0.0511(12) -0.0043(9) -0.0131(10) -0.0128(9)
C31 0.0730(19) 0.0383(14) 0.0629(18) -0.0020(12) -0.0153(14) -0.0185(13)
N32 0.0797(17) 0.0356(12) 0.0768(17) -0.0125(11) -0.0203(13) -0.0186(11)
N33 0.0772(16) 0.0405(12) 0.0610(14) -0.0121(11) -0.0202(12) -0.0153(11)
C34 0.128(3) 0.0436(17) 0.118(3) -0.0182(19) -0.037(3) -0.034(2)
N42 0.0443(11) 0.0415(11) 0.0436(11) -0.0030(9) -0.0059(9) -0.0102(9)
C43 0.0476(14) 0.0523(15) 0.0507(14) -0.0126(12) -0.0043(11) -0.0143(12)
C44 0.0419(14) 0.0588(17) 0.0628(17) -0.0154(14) -0.0064(12) -0.0064(12)
C45 0.0439(13) 0.0475(14) 0.0528(15) -0.0118(12) -0.0100(11) -0.0030(11)
N46 0.0424(11) 0.0392(10) 0.0443(11) -0.0029(9) -0.0092(9) -0.0048(8)
C47 0.0638(19) 0.072(2) 0.069(2) 0.0006(16) 0.0003(15) -0.0267(16)
C48 0.0555(17) 0.0568(18) 0.077(2) 0.0012(15) -0.0193(15) 0.0011(14)
C49 0.0439(13) 0.0374(12) 0.0424(12) -0.0059(10) -0.0090(10) -0.0068(10)
N50 0.0421(11) 0.0423(11) 0.0456(11) -0.0018(9) -0.0082(9) -0.0081(9)
Cl51 0.0565(4) 0.0638(5) 0.0902(6) -0.0107(4) -0.0157(4) -0.0140(3)
C51 0.0470(14) 0.0477(14) 0.0516(15) -0.0021(12) -0.0077(11) -0.0116(11)
O52 0.0588(16) 0.117(2) 0.155(3) -0.006(2) -0.0139(17) -0.0129(15)
N52 0.0560(13) 0.0468(12) 0.0470(12) 0.0011(10) -0.0070(10) -0.0150(10)
O53 0.180(4) 0.181(4) 0.153(4) -0.062(3) -0.082(3) -0.009(3)
N53 0.0490(12) 0.0460(12) 0.0512(12) 0.0009(10) -0.0077(10) -0.0083(10)
O54 0.131(3) 0.144(3) 0.164(4) 0.014(3) 0.030(3) -0.065(3)
C54 0.072(2) 0.0597(18) 0.0592(18) 0.0088(14) -0.0017(15) -0.0241(15)
O55 0.124(3) 0.077(2) 0.178(4) -0.027(2) -0.021(3) -0.0068(18)
Cl56 0.074(2) 0.070(3) 0.0615(19) 0.0169(14) -0.0297(14) -0.0231(15)
O57 0.084(7) 0.179(11) 0.107(8) 0.081(7) -0.029(5) -0.024(6)
O58 0.162(11) 0.098(6) 0.269(14) -0.039(7) 0.005(9) -0.020(6)
O59 0.223(18) 0.192(15) 0.179(12) 0.079(10) -0.154(13) -0.136(13)
O60 0.070(4) 0.183(11) 0.121(6) 0.087(7) -0.016(4) -0.033(5)
Cl6B 0.061(2) 0.061(2) 0.069(3) 0.0174(15) -0.0235(16) -0.0237(16)
O57B 0.097(9) 0.073(6) 0.064(6) 0.022(4) -0.031(5) -0.037(6)
O58B 0.22(2) 0.123(10) 0.28(2) 0.075(11) -0.158(17) -0.135(13)
O59B 0.076(6) 0.157(16) 0.182(16) 0.050(11) -0.047(7) 0.017(8)
O60B 0.28(2) 0.098(7) 0.119(8) -0.019(6) -0.074(10) -0.036(10)
C91 0.191(12) 0.253(11) 0.160(15) -0.096(10) -0.030(14) -0.049(14)
C92 0.241(13) 0.263(10) 0.254(13) -0.036(8) -0.046(9) -0.064(9)
O93 0.236(9) 0.271(8) 0.229(9) -0.036(7) -0.084(7) -0.056(8)
C94 0.227(13) 0.264(10) 0.273(13) -0.035(8) -0.067(9) -0.055(9)
C95 0.280(19) 0.255(12) 0.282(18) -0.039(13) -0.111(15) 0.005(14)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N10 2.100(2) . ?
Co1 N50 2.116(2) . ?
Co1 N30 2.125(2) . ?
Co1 N2 2.170(2) . ?
Co1 N22 2.170(2) . ?
Co1 N42 2.173(2) . ?
N2 C3 1.330(3) . ?
N2 N6 1.382(3) . ?
C3 C4 1.397(4) . ?
C3 C7 1.489(4) . ?
C4 C5 1.363(4) . ?
C4 H4 0.9300 . ?
C5 N6 1.361(3) . ?
C5 C8 1.493(4) . ?
N6 C9 1.392(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N13 1.307(3) . ?
C9 N10 1.346(3) . ?
N10 C11 1.331(3) . ?
C11 N12 1.318(3) . ?
C11 H11 0.9300 . ?
N12 N13 1.376(3) . ?
N12 C14 1.463(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N22 C23 1.327(3) . ?
N22 N26 1.377(3) . ?
C23 C24 1.396(4) . ?
C23 C27 1.495(4) . ?
C24 C25 1.359(4) . ?
C24 H24 0.9300 . ?
C25 N26 1.365(3) . ?
C25 C28 1.495(4) . ?
N26 C29 1.394(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N33 1.315(3) . ?
C29 N30 1.350(3) . ?
N30 C31 1.331(3) . ?
C31 N32 1.309(4) . ?
C31 H31 0.9300 . ?
N32 N33 1.372(4) . ?
N32 C34 1.473(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N42 C43 1.329(3) . ?
N42 N46 1.379(3) . ?
C43 C44 1.408(4) . ?
C43 C47 1.480(4) . ?
C44 C45 1.365(4) . ?
C44 H44 0.9300 . ?
C45 N46 1.365(3) . ?
C45 C48 1.484(4) . ?
N46 C49 1.397(3) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 N53 1.312(3) . ?
C49 N50 1.353(3) . ?
N50 C51 1.330(3) . ?
Cl51 O53 1.384(4) . ?
Cl51 O52 1.404(3) . ?
Cl51 O54 1.410(4) . ?
Cl51 O55 1.416(3) . ?
C51 N52 1.322(3) . ?
C51 H51 0.9300 . ?
N52 N53 1.376(3) . ?
N52 C54 1.459(4) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
Cl56 O60 1.361(8) . ?
Cl56 O59 1.371(7) . ?
Cl56 O58 1.385(9) . ?
Cl56 O57 1.402(6) . ?
Cl6B O60B 1.363(9) . ?
Cl6B O59B 1.374(8) . ?
Cl6B O58B 1.380(9) . ?
Cl6B O57B 1.399(6) . ?
C91 C92 1.16(2) . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 O93 1.516(19) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
O93 C94 1.533(19) . ?
C94 C95 1.16(2) . ?
C94 H94A 0.9700 . ?
C94 H94B 0.9700 . ?
C95 H95A 0.9600 . ?
C95 H95B 0.9600 . ?
C95 H95C 0.9600 . ?

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
_geom_angle_publ_flag
N10 Co1 N50 94.35(8) . . ?
N10 Co1 N30 174.79(8) . . ?
N50 Co1 N30 89.00(8) . . ?
N10 Co1 N2 77.14(8) . . ?
N50 Co1 N2 95.50(8) . . ?
N30 Co1 N2 98.59(8) . . ?
N10 Co1 N22 100.96(8) . . ?
N50 Co1 N22 164.62(8) . . ?
N30 Co1 N22 75.84(8) . . ?
N2 Co1 N22 89.40(9) . . ?
N10 Co1 N42 93.70(8) . . ?
N50 Co1 N42 76.07(8) . . ?
N30 Co1 N42 90.97(8) . . ?
N2 Co1 N42 167.19(8) . . ?
N22 Co1 N42 101.25(8) . . ?
C3 N2 N6 104.6(2) . . ?
C3 N2 Co1 142.77(18) . . ?
N6 N2 Co1 112.43(14) . . ?
N2 C3 C4 110.4(2) . . ?
N2 C3 C7 122.2(3) . . ?
C4 C3 C7 127.4(3) . . ?
C5 C4 C3 107.6(3) . . ?
C5 C4 H4 126.2 . . ?
C3 C4 H4 126.2 . . ?
N6 C5 C4 105.4(2) . . ?
N6 C5 C8 122.8(3) . . ?
C4 C5 C8 131.8(3) . . ?
C5 N6 N2 112.0(2) . . ?
C5 N6 C9 131.5(2) . . ?
N2 N6 C9 116.3(2) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N13 C9 N10 115.9(2) . . ?
N13 C9 N6 124.9(2) . . ?
N10 C9 N6 119.2(2) . . ?
C11 N10 C9 102.8(2) . . ?
C11 N10 Co1 142.03(18) . . ?
C9 N10 Co1 114.45(16) . . ?
N12 C11 N10 109.6(2) . . ?
N12 C11 H11 125.2 . . ?
N10 C11 H11 125.2 . . ?
C11 N12 N13 110.7(2) . . ?
C11 N12 C14 129.4(3) . . ?
N13 N12 C14 119.9(2) . . ?
C9 N13 N12 101.0(2) . . ?
N12 C14 H14A 109.5 . . ?
N12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C23 N22 N26 104.6(2) . . ?
C23 N22 Co1 140.14(19) . . ?
N26 N22 Co1 113.91(15) . . ?
N22 C23 C24 110.7(2) . . ?
N22 C23 C27 122.0(3) . . ?
C24 C23 C27 127.3(3) . . ?
C25 C24 C23 107.3(3) . . ?
C25 C24 H24 126.4 . . ?
C23 C24 H24 126.4 . . ?
C24 C25 N26 105.6(2) . . ?
C24 C25 C28 131.2(3) . . ?
N26 C25 C28 123.2(3) . . ?
C25 N26 N22 111.8(2) . . ?
C25 N26 C29 132.0(2) . . ?
N22 N26 C29 116.1(2) . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N33 C29 N30 116.3(2) . . ?
N33 C29 N26 125.4(2) . . ?
N30 C29 N26 118.3(2) . . ?
C31 N30 C29 102.2(2) . . ?
C31 N30 Co1 142.2(2) . . ?
C29 N30 Co1 115.44(16) . . ?
N32 C31 N30 109.7(3) . . ?
N32 C31 H31 125.1 . . ?
N30 C31 H31 125.1 . . ?
C31 N32 N33 111.6(2) . . ?
C31 N32 C34 128.4(3) . . ?
N33 N32 C34 120.0(3) . . ?
C29 N33 N32 100.1(2) . . ?
N32 C34 H34A 109.5 . . ?
N32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C43 N42 N46 105.1(2) . . ?
C43 N42 Co1 141.06(18) . . ?
N46 N42 Co1 112.84(14) . . ?
N42 C43 C44 110.1(2) . . ?
N42 C43 C47 121.1(3) . . ?
C44 C43 C47 128.8(3) . . ?
C45 C44 C43 107.3(2) . . ?
C45 C44 H44 126.3 . . ?
C43 C44 H44 126.3 . . ?
N46 C45 C44 105.5(2) . . ?
N46 C45 C48 122.8(3) . . ?
C44 C45 C48 131.6(3) . . ?
C45 N46 N42 111.8(2) . . ?
C45 N46 C49 132.0(2) . . ?
N42 N46 C49 116.08(19) . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N53 C49 N50 116.0(2) . . ?
N53 C49 N46 125.9(2) . . ?
N50 C49 N46 118.2(2) . . ?
C51 N50 C49 102.6(2) . . ?
C51 N50 Co1 141.59(18) . . ?
C49 N50 Co1 114.91(16) . . ?
O53 Cl51 O52 111.6(3) . . ?
O53 Cl51 O54 109.3(3) . . ?
O52 Cl51 O54 109.1(3) . . ?
O53 Cl51 O55 109.2(3) . . ?
O52 Cl51 O55 108.8(2) . . ?
O54 Cl51 O55 108.9(3) . . ?
N52 C51 N50 109.8(2) . . ?
N52 C51 H51 125.1 . . ?
N50 C51 H51 125.1 . . ?
C51 N52 N53 110.7(2) . . ?
C51 N52 C54 128.4(3) . . ?
N53 N52 C54 120.6(2) . . ?
C49 N53 N52 100.9(2) . . ?
N52 C54 H54A 109.5 . . ?
N52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O60 Cl56 O59 113.5(9) . . ?
O60 Cl56 O58 110.2(8) . . ?
O59 Cl56 O58 103.1(9) . . ?
O60 Cl56 O57 109.0(8) . . ?
O59 Cl56 O57 110.1(7) . . ?
O58 Cl56 O57 110.9(9) . . ?
O60B Cl6B O59B 106.6(10) . . ?
O60B Cl6B O58B 108.6(10) . . ?
O59B Cl6B O58B 104.6(11) . . ?
O60B Cl6B O57B 110.1(8) . . ?
O59B Cl6B O57B 113.9(9) . . ?
O58B Cl6B O57B 112.8(9) . . ?
C92 C91 H91A 109.5 . . ?
C92 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C92 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C91 C92 O93 104(2) . . ?
C91 C92 H92A 110.9 . . ?
O93 C92 H92A 110.9 . . ?
C91 C92 H92B 110.9 . . ?
O93 C92 H92B 110.9 . . ?
H92A C92 H92B 108.9 . . ?
C92 O93 C94 114.9(19) . . ?
C95 C94 O93 102.1(19) . . ?
C95 C94 H94A 111.4 . . ?
O93 C94 H94A 111.4 . . ?
C95 C94 H94B 111.4 . . ?
O93 C94 H94B 111.4 . . ?
H94A C94 H94B 109.2 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N6 N2 C3 C4 0.1(3) . . . . ?
Co1 N2 C3 C4 -174.0(2) . . . . ?
N6 N2 C3 C7 179.8(3) . . . . ?
Co1 N2 C3 C7 5.7(5) . . . . ?
N2 C3 C4 C5 -0.3(4) . . . . ?
C7 C3 C4 C5 -180.0(3) . . . . ?
C3 C4 C5 N6 0.4(4) . . . . ?
C3 C4 C5 C8 -179.7(4) . . . . ?
C4 C5 N6 N2 -0.3(3) . . . . ?
C8 C5 N6 N2 179.7(3) . . . . ?
C4 C5 N6 C9 174.2(3) . . . . ?
C8 C5 N6 C9 -5.7(5) . . . . ?
C3 N2 N6 C5 0.1(3) . . . . ?
Co1 N2 N6 C5 176.2(2) . . . . ?
C3 N2 N6 C9 -175.3(2) . . . . ?
Co1 N2 N6 C9 0.8(3) . . . . ?
C5 N6 C9 N13 9.8(5) . . . . ?
N2 N6 C9 N13 -175.8(3) . . . . ?
C5 N6 C9 N10 -169.5(3) . . . . ?
N2 N6 C9 N10 4.8(4) . . . . ?
N13 C9 N10 C11 0.0(3) . . . . ?
N6 C9 N10 C11 179.4(2) . . . . ?
N13 C9 N10 Co1 172.5(2) . . . . ?
N6 C9 N10 Co1 -8.1(3) . . . . ?
C9 N10 C11 N12 -0.7(3) . . . . ?
Co1 N10 C11 N12 -169.5(2) . . . . ?
N10 C11 N12 N13 1.1(3) . . . . ?
N10 C11 N12 C14 179.8(3) . . . . ?
N10 C9 N13 N12 0.6(3) . . . . ?
N6 C9 N13 N12 -178.8(3) . . . . ?
C11 N12 N13 C9 -1.0(3) . . . . ?
C14 N12 N13 C9 -179.9(3) . . . . ?
N26 N22 C23 C24 -0.3(4) . . . . ?
Co1 N22 C23 C24 -165.4(2) . . . . ?
N26 N22 C23 C27 -179.5(3) . . . . ?
Co1 N22 C23 C27 15.4(6) . . . . ?
N22 C23 C24 C25 0.1(4) . . . . ?
C27 C23 C24 C25 179.3(4) . . . . ?
C23 C24 C25 N26 0.1(4) . . . . ?
C23 C24 C25 C28 178.8(4) . . . . ?
C24 C25 N26 N22 -0.2(3) . . . . ?
C28 C25 N26 N22 -179.1(3) . . . . ?
C24 C25 N26 C29 175.5(3) . . . . ?
C28 C25 N26 C29 -3.4(5) . . . . ?
C23 N22 N26 C25 0.3(3) . . . . ?
Co1 N22 N26 C25 169.95(19) . . . . ?
C23 N22 N26 C29 -176.2(2) . . . . ?
Co1 N22 N26 C29 -6.5(3) . . . . ?
C25 N26 C29 N33 5.8(5) . . . . ?
N22 N26 C29 N33 -178.6(3) . . . . ?
C25 N26 C29 N30 -172.9(3) . . . . ?
N22 N26 C29 N30 2.7(3) . . . . ?
N33 C29 N30 C31 0.3(3) . . . . ?
N26 C29 N30 C31 179.1(2) . . . . ?
N33 C29 N30 Co1 -176.2(2) . . . . ?
N26 C29 N30 Co1 2.6(3) . . . . ?
C29 N30 C31 N32 -0.4(3) . . . . ?
Co1 N30 C31 N32 174.5(2) . . . . ?
N30 C31 N32 N33 0.3(4) . . . . ?
N30 C31 N32 C34 -178.4(3) . . . . ?
N30 C29 N33 N32 -0.2(3) . . . . ?
N26 C29 N33 N32 -178.8(3) . . . . ?
C31 N32 N33 C29 -0.1(3) . . . . ?
C34 N32 N33 C29 178.7(3) . . . . ?
N46 N42 C43 C44 0.4(3) . . . . ?
Co1 N42 C43 C44 -166.7(2) . . . . ?
N46 N42 C43 C47 -179.2(3) . . . . ?
Co1 N42 C43 C47 13.7(4) . . . . ?
N42 C43 C44 C45 0.1(3) . . . . ?
C47 C43 C44 C45 179.6(3) . . . . ?
C43 C44 C45 N46 -0.5(3) . . . . ?
C43 C44 C45 C48 179.3(3) . . . . ?
C44 C45 N46 N42 0.8(3) . . . . ?
C48 C45 N46 N42 -179.1(3) . . . . ?
C44 C45 N46 C49 -176.3(3) . . . . ?
C48 C45 N46 C49 3.8(4) . . . . ?
C43 N42 N46 C45 -0.7(3) . . . . ?
Co1 N42 N46 C45 170.48(16) . . . . ?
C43 N42 N46 C49 176.9(2) . . . . ?
Co1 N42 N46 C49 -11.9(2) . . . . ?
C45 N46 C49 N53 0.4(4) . . . . ?
N42 N46 C49 N53 -176.6(2) . . . . ?
C45 N46 C49 N50 179.6(2) . . . . ?
N42 N46 C49 N50 2.6(3) . . . . ?
N53 C49 N50 C51 -0.7(3) . . . . ?
N46 C49 N50 C51 180.0(2) . . . . ?
N53 C49 N50 Co1 -172.24(18) . . . . ?
N46 C49 N50 Co1 8.4(3) . . . . ?
C49 N50 C51 N52 0.9(3) . . . . ?
Co1 N50 C51 N52 168.5(2) . . . . ?
N50 C51 N52 N53 -0.9(3) . . . . ?
N50 C51 N52 C54 -174.7(3) . . . . ?
N50 C49 N53 N52 0.2(3) . . . . ?
N46 C49 N53 N52 179.4(2) . . . . ?
C51 N52 N53 C49 0.4(3) . . . . ?
C54 N52 N53 C49 174.8(3) . . . . ?
C91 C92 O93 C94 -172(3) . . . . ?
C92 O93 C94 C95 173(2) . . . . ?

_refine_diff_density_max         0.486
_refine_diff_density_min         -0.258
_refine_diff_density_rms         0.062

_shelx_res_file                  
;
TITL ALL in P-1
    yg_D1Co.res
    created by SHELXL-2018/3 at 10:22:21 on 20-Apr-2021
CELL 0.71073  11.738427  11.753678  15.310287  80.1144  78.1563  73.2778
ZERR    1.00   0.001205   0.001077   0.000943   0.0069   0.0076   0.0086
LATT  1
SFAC C H N O Cl Co
UNIT 52 76 30 17 4 2
L.S. 50
ACTA
OMIT     2  -1   1
OMIT    -2   0   1
OMIT    -1   1   0
BOND $H
CONF
TEMP 20
ISOR 0.01 C91 > LAST
DELU 0.01 C91 > LAST
SADI 0.01 C91 C92 C94 C95
SADI 0.01 C92 O93 O93 C94
SADI 0.02 C91 O93 O93 C95
FMAP 2
PLAN 50
WGHT    0.078300    0.921200
FVAR       1.76245   0.56268
CO1   6    0.337718    0.646348    0.266427    11.00000    0.04539    0.03346 =
         0.04169   -0.00469   -0.01069   -0.00759
N2    3    0.146799    0.736408    0.278210    11.00000    0.04693    0.03993 =
         0.05255   -0.00996   -0.01518   -0.00955
C3    1    0.045358    0.736088    0.252432    11.00000    0.04743    0.05021 =
         0.05812   -0.00580   -0.01612   -0.01372
C4    1   -0.048105    0.833554    0.280371    11.00000    0.04451    0.06338 =
         0.07362   -0.01080   -0.01668   -0.00899
AFIX  43
H4    2   -0.127138    0.852391    0.270021    11.00000   -1.20000
AFIX   0
C5    1   -0.002482    0.896033    0.325543    11.00000    0.04256    0.05801 =
         0.07227   -0.01942   -0.01089   -0.00292
N6    3    0.115818    0.836029    0.323285    11.00000    0.04398    0.04435 =
         0.05489   -0.01502   -0.01381   -0.00412
C7    1    0.039229    0.642299    0.200705    11.00000    0.06483    0.07258 =
         0.10315   -0.03122   -0.03356   -0.01597
AFIX 137
H7A   2   -0.043553    0.648295    0.198800    11.00000   -1.50000
H7B   2    0.075485    0.564696    0.229376    11.00000   -1.50000
H7C   2    0.081802    0.653428    0.140583    11.00000   -1.50000
AFIX   0
C8    1   -0.059205    1.006594    0.370535    11.00000    0.05761    0.09462 =
         0.13257   -0.06565   -0.01814    0.01138
AFIX 137
H8A   2   -0.142071    1.036152    0.362547    11.00000   -1.50000
H8B   2   -0.017013    1.066395    0.344447    11.00000   -1.50000
H8C   2   -0.055016    0.988347    0.433551    11.00000   -1.50000
AFIX   0
C9    1    0.209447    0.862526    0.351872    11.00000    0.04628    0.03921 =
         0.04567   -0.00893   -0.01080   -0.00862
N10   3    0.323302    0.796840    0.328833    11.00000    0.04353    0.04013 =
         0.04819   -0.00845   -0.01152   -0.00831
C11   1    0.387088    0.846795    0.365944    11.00000    0.04942    0.04770 =
         0.05290   -0.00896   -0.01552   -0.01208
AFIX  43
H11   2    0.470318    0.821936    0.363249    11.00000   -1.20000
AFIX   0
N12   3    0.314227    0.936921    0.407115    11.00000    0.05375    0.05131 =
         0.05753   -0.01690   -0.01468   -0.01320
N13   3    0.196319    0.948730    0.399864    11.00000    0.05261    0.05651 =
         0.06729   -0.02676   -0.01318   -0.00851
C14   1    0.342494    1.017861    0.457253    11.00000    0.07912    0.07400 =
         0.08626   -0.03742   -0.02101   -0.02608
AFIX 137
H14A  2    0.428387    1.004252    0.449893    11.00000   -1.50000
H14B  2    0.310552    1.003204    0.519846    11.00000   -1.50000
H14C  2    0.307085    1.099225    0.434915    11.00000   -1.50000
AFIX   0
N22   3    0.362059    0.719369    0.125775    11.00000    0.06551    0.03410 =
         0.04588   -0.00399   -0.01363   -0.01581
C23   1    0.361928    0.822919    0.074922    11.00000    0.08762    0.04064 =
         0.05307    0.00208   -0.01531   -0.02273
C24   1    0.355046    0.814845   -0.013686    11.00000    0.10450    0.04931 =
         0.04619    0.00501   -0.01894   -0.02426
AFIX  43
H24   2    0.353805    0.875714   -0.061414    11.00000   -1.20000
AFIX   0
C25   1    0.350496    0.701508   -0.017234    11.00000    0.07166    0.05192 =
         0.04416   -0.00255   -0.01345   -0.01400
N26   3    0.354583    0.644855    0.068125    11.00000    0.05744    0.03764 =
         0.03995   -0.00675   -0.01011   -0.01200
C27   1    0.370022    0.929523    0.111931    11.00000    0.16131    0.04936 =
         0.07289    0.00055   -0.02874   -0.04782
AFIX 137
H27A  2    0.366295    0.995907    0.065341    11.00000   -1.50000
H27B  2    0.444893    0.911283    0.134032    11.00000   -1.50000
H27C  2    0.304076    0.949841    0.160190    11.00000   -1.50000
AFIX   0
C28   1    0.340532    0.642302   -0.093277    11.00000    0.10906    0.06945 =
         0.04943   -0.00849   -0.02277   -0.02197
AFIX 137
H28A  2    0.341575    0.697213   -0.147468    11.00000   -1.50000
H28B  2    0.266363    0.618855   -0.080190    11.00000   -1.50000
H28C  2    0.407258    0.572813   -0.101010    11.00000   -1.50000
AFIX   0
C29   1    0.345679    0.530778    0.106793    11.00000    0.04873    0.03556 =
         0.04909   -0.00802   -0.01089   -0.00822
N30   3    0.339956    0.504075    0.196650    11.00000    0.06131    0.03340 =
         0.05115   -0.00432   -0.01307   -0.01284
C31   1    0.330510    0.392031    0.209937    11.00000    0.07302    0.03833 =
         0.06291   -0.00196   -0.01526   -0.01849
AFIX  43
H31   2    0.325045    0.345273    0.265400    11.00000   -1.20000
AFIX   0
N32   3    0.330075    0.357572    0.133144    11.00000    0.07974    0.03556 =
         0.07680   -0.01252   -0.02034   -0.01864
N33   3    0.340040    0.446066    0.063054    11.00000    0.07716    0.04051 =
         0.06104   -0.01210   -0.02019   -0.01532
C34   1    0.318239    0.242160    0.116353    11.00000    0.12813    0.04355 =
         0.11819   -0.01817   -0.03704   -0.03368
AFIX 137
H34A  2    0.325605    0.186277    0.169858    11.00000   -1.50000
H34B  2    0.380583    0.211647    0.068422    11.00000   -1.50000
H34C  2    0.240812    0.253315    0.099834    11.00000   -1.50000
AFIX   0
N42   3    0.523437    0.564204    0.285434    11.00000    0.04433    0.04147 =
         0.04365   -0.00301   -0.00586   -0.01017
C43   1    0.635791    0.562390    0.245874    11.00000    0.04761    0.05229 =
         0.05068   -0.01262   -0.00429   -0.01429
C44   1    0.717873    0.465887    0.286843    11.00000    0.04187    0.05879 =
         0.06277   -0.01540   -0.00644   -0.00635
AFIX  43
H44   2    0.801430    0.445930    0.271188    11.00000   -1.20000
AFIX   0
C45   1    0.652113    0.407047    0.353788    11.00000    0.04390    0.04752 =
         0.05280   -0.01180   -0.01001   -0.00298
N46   3    0.534438    0.468641    0.352307    11.00000    0.04235    0.03916 =
         0.04430   -0.00293   -0.00917   -0.00475
C47   1    0.661033    0.653702    0.170426    11.00000    0.06381    0.07158 =
         0.06896    0.00061    0.00028   -0.02675
AFIX 137
H47A  2    0.745625    0.649302    0.159097    11.00000   -1.50000
H47B  2    0.615864    0.731822    0.185704    11.00000   -1.50000
H47C  2    0.637981    0.639206    0.117544    11.00000   -1.50000
AFIX   0
C48   1    0.688993    0.299216    0.418359    11.00000    0.05553    0.05682 =
         0.07742    0.00125   -0.01926    0.00106
AFIX 137
H48A  2    0.775163    0.268974    0.407311    11.00000   -1.50000
H48B  2    0.652372    0.238986    0.410943    11.00000   -1.50000
H48C  2    0.663310    0.319910    0.478608    11.00000   -1.50000
AFIX   0
C49   1    0.427258    0.454942    0.407218    11.00000    0.04385    0.03735 =
         0.04240   -0.00592   -0.00895   -0.00675
N50   3    0.322437    0.532024    0.388644    11.00000    0.04215    0.04230 =
         0.04561   -0.00180   -0.00818   -0.00813
CL51  5    0.049537    0.323048    0.383072    11.00000    0.05649    0.06376 =
         0.09017   -0.01072   -0.01572   -0.01401
C51   1    0.240870    0.494516    0.452047    11.00000    0.04695    0.04774 =
         0.05161   -0.00207   -0.00765   -0.01161
AFIX  43
H51   2    0.157991    0.527983    0.458240    11.00000   -1.20000
AFIX   0
O52   4    0.174439    0.285466    0.382766    11.00000    0.05884    0.11722 =
         0.15507   -0.00624   -0.01389   -0.01288
N52   3    0.295263    0.402514    0.504959    11.00000    0.05600    0.04678 =
         0.04699    0.00106   -0.00695   -0.01498
O53   4    0.020518    0.303834    0.304593    11.00000    0.18027    0.18080 =
         0.15278   -0.06167   -0.08201   -0.00880
N53   3    0.418151    0.373868    0.476951    11.00000    0.04896    0.04596 =
         0.05120    0.00091   -0.00770   -0.00831
O54   4   -0.008457    0.259582    0.457032    11.00000    0.13131    0.14393 =
         0.16437    0.01425    0.02951   -0.06545
C54   1    0.240805    0.327917    0.578313    11.00000    0.07177    0.05971 =
         0.05921    0.00879   -0.00168   -0.02414
AFIX 137
H54A  2    0.155758    0.364071    0.591956    11.00000   -1.50000
H54B  2    0.276976    0.320582    0.630535    11.00000   -1.50000
H54C  2    0.253847    0.250012    0.560715    11.00000   -1.50000
AFIX   0
O55   4    0.008684    0.446733    0.392325    11.00000    0.12447    0.07696 =
         0.17815   -0.02661   -0.02102   -0.00676
PART 1
CL56  5    0.392092    0.952967    0.735800    21.00000    0.07409    0.07012 =
         0.06149    0.01694   -0.02966   -0.02310
O57   4    0.368095    1.046092    0.665894    21.00000    0.08413    0.17922 =
         0.10705    0.08108   -0.02869   -0.02374
O58   4    0.458910    0.847185    0.702197    21.00000    0.16237    0.09826 =
         0.26938   -0.03934    0.00469   -0.02041
O59   4    0.467058    0.974873    0.785047    21.00000    0.22252    0.19233 =
         0.17863    0.07851   -0.15367   -0.13587
O60   4    0.285678    0.938991    0.785633    21.00000    0.06953    0.18260 =
         0.12129    0.08743   -0.01563   -0.03261
PART 2
SAME 0.01 Cl56 > O60
CL6B  5    0.388079    0.974537    0.738483   -21.00000    0.06138    0.06065 =
         0.06865    0.01735   -0.02349   -0.02365
O57B  4    0.380018    1.050929    0.657870   -21.00000    0.09701    0.07308 =
         0.06363    0.02171   -0.03143   -0.03689
O58B  4    0.316421    0.896384    0.751404   -21.00000    0.22186    0.12329 =
         0.28097    0.07471   -0.15752   -0.13499
O59B  4    0.501935    0.902158    0.744321   -21.00000    0.07649    0.15650 =
         0.18172    0.04962   -0.04739    0.01691
O60B  4    0.355470    1.039674    0.809395   -21.00000    0.28118    0.09797 =
         0.11857   -0.01941   -0.07431   -0.03555
PART -3
C91   1   -0.001880    0.472820    0.019141    10.50000    0.19114    0.25258 =
         0.15961   -0.09626   -0.03020   -0.04858
AFIX  33
H91A  2   -0.024842    0.548968    0.041663    10.50000   -1.50000
H91B  2    0.080902    0.456448   -0.009687    10.50000   -1.50000
H91C  2   -0.052116    0.474448   -0.023502    10.50000   -1.50000
AFIX   0
C92   1   -0.013432    0.398811    0.078140    10.50000    0.24053    0.26329 =
         0.25428   -0.03582   -0.04557   -0.06358
AFIX  23
H92A  2   -0.096724    0.413102    0.107927    10.50000   -1.20000
H92B  2    0.037233    0.394974    0.121839    10.50000   -1.20000
AFIX   0
O93   4    0.025318    0.284573    0.034076    10.50000    0.23617    0.27114 =
         0.22866   -0.03620   -0.08432   -0.05624
C94   1    0.002101    0.173626    0.096158    10.50000    0.22719    0.26419 =
         0.27274   -0.03495   -0.06714   -0.05511
AFIX  23
H94A  2    0.053392    0.149620    0.141937    10.50000   -1.20000
H94B  2   -0.081616    0.187472    0.124902    10.50000   -1.20000
AFIX   0
C95   1    0.026730    0.102639    0.046178    10.50000    0.28037    0.25520 =
         0.28217   -0.03938   -0.11097    0.00456
AFIX  33
H95A  2    0.015390    0.027953    0.078227    10.50000   -1.50000
H95B  2   -0.024352    0.129467    0.001102    10.50000   -1.50000
H95C  2    0.109464    0.091950    0.017986    10.50000   -1.50000
AFIX   0
HKLF 4




REM  ALL in P-1
REM wR2 = 0.1458, GooF = S = 1.068, Restrained GooF = 1.075 for all data
REM R1 = 0.0478 for 6779 Fo > 4sig(Fo) and 0.0558 for all 7827 data
REM 551 parameters refined using 50 restraints

END

WGHT      0.0765      0.9597

REM Highest difference peak  0.486,  deepest hole -0.258,  1-sigma level  0.062
Q1    1   0.1048  0.1784 -0.0006  11.00000  0.05    0.49
Q2    1   0.2208  0.1395 -0.0642  11.00000  0.05    0.47
Q3    1   0.0000  0.0000  0.0000  10.50000  0.05    0.45
Q4    1  -0.0066  0.2268  0.1164  11.00000  0.05    0.36
Q5    1  -0.0270  0.0946  0.1121  11.00000  0.05    0.33
Q6    1  -0.0187  0.1245  0.1465  11.00000  0.05    0.33
Q7    1   0.0492  0.3871  0.3315  11.00000  0.05    0.32
Q8    1   0.3079  1.0199  0.8080  11.00000  0.05    0.31
Q9    1  -0.0400  0.1512  0.1628  11.00000  0.05    0.31
Q10   1   0.0833  0.4350  0.3359  11.00000  0.05    0.30
Q11   1   0.1599  0.2387  0.3333  11.00000  0.05    0.30
Q12   1   0.3596  1.0953  0.7457  11.00000  0.05    0.30
Q13   1   0.0559  0.3197  0.0117  11.00000  0.05    0.28
Q14   1  -0.0241  0.2738  0.3802  11.00000  0.05    0.26
Q15   1  -0.0419  0.4127  0.3540  11.00000  0.05    0.26
Q16   1   0.0267  0.3234  0.4774  11.00000  0.05    0.25
Q17   1   0.4191  1.0241  0.7758  11.00000  0.05    0.24
Q18   1   0.5822  0.6979  0.1481  11.00000  0.05    0.24
Q19   1  -0.0344  0.2556  0.4740  11.00000  0.05    0.23
Q20   1   0.3343  0.7649  0.3176  11.00000  0.05    0.23
Q21   1   0.3574  0.5227  0.1661  11.00000  0.05    0.23
Q22   1   0.5761  0.5638  0.2607  11.00000  0.05    0.22
Q23   1  -0.0002  0.6916  0.1518  11.00000  0.05    0.22
Q24   1   0.3767  0.9192  0.6649  11.00000  0.05    0.22
Q25   1   0.3574  0.5395  0.2213  11.00000  0.05    0.22
Q26   1   0.2877  0.5207  0.4101  11.00000  0.05    0.21
Q27   1   0.1061  0.6012  0.1834  11.00000  0.05    0.21
Q28   1   0.2461  0.9373  0.4201  11.00000  0.05    0.21
Q29   1   0.1383  0.7769  0.3023  11.00000  0.05    0.21
Q30   1   0.4641  0.5814  0.2668  11.00000  0.05    0.20
Q31   1   0.1541  0.8421  0.3481  11.00000  0.05    0.20
Q32   1   0.3186  0.5700  0.3329  11.00000  0.05    0.20
Q33   1   0.1948  0.3818  0.6251  11.00000  0.05    0.20
Q34   1   0.3403  0.4201  0.0928  11.00000  0.05    0.20
Q35   1   0.3234  0.5979  0.3662  11.00000  0.05    0.20
Q36   1   0.2067  0.6815  0.2833  11.00000  0.05    0.20
Q37   1   0.3446  0.6019  0.0808  11.00000  0.05    0.19
Q38   1   0.6860  0.4199  0.3052  11.00000  0.05    0.19
Q39   1   0.6717  0.5146  0.2625  11.00000  0.05    0.19
Q40   1  -0.0319  0.3308  0.0287  11.00000  0.05    0.19
Q41   1   0.3191  0.3191  0.1249  11.00000  0.05    0.19
Q42   1   0.1568  0.3635  0.3366  11.00000  0.05    0.19
Q43   1   0.4831  0.4515  0.3809  11.00000  0.05    0.18
Q44   1   0.6848  0.7046  0.2009  11.00000  0.05    0.18
Q45   1   0.2468  0.2190  0.1783  11.00000  0.05    0.18
Q46   1   0.0020  0.7627  0.2738  11.00000  0.05    0.18
Q47   1   0.5186  0.5192  0.3124  11.00000  0.05    0.18
Q48   1   0.0250  0.3967  0.4514  11.00000  0.05    0.17
Q49   1  -0.0366  0.9397  0.3597  11.00000  0.05    0.17
Q50   1   0.2605  0.7987  0.3587  11.00000  0.05    0.17
;
_shelx_res_checksum              92184

_shelx_hkl_file                  
;
   0   0  -3 37563.8 256.864   1
   0   0  -4 549.826 25.1760   1
   0   0  -4 548.391 19.5280   1
   0   0  -4 632.285 40.5285   1
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  13   1   8 75.0671 18.3193   1
 -13  -1  -8 105.592 27.6900   1
  13   1   9 80.9773 19.8055   1
 -13  -1  -9 118.091 36.8620   1
 -13  -1 -10 14.2149 26.2856   1
 -13  -1 -10 4.72182 5.11030   1
  13   1  10 5.48387 15.7810   1
  13   2  -4 64.9020 28.2491   1
 -13  -2   4 40.1235 32.7182   1
  13   2  -3 190.369 38.7427   1
 -13  -2   3 190.293 40.5437   1
 -13  -2   2 84.1853 33.5530   1
  13   2  -2 30.9348 26.9254   1
 -13  -2   1-2.61734 18.4106   1
  13   2  -1 4.11563 21.7765   1
 -13  -2   0-6.95175 21.5835   1
  13   2   0 37.6945 22.4264   1
 -13  -2  -1 59.2335 26.5672   1
  13   2   1 10.6647 17.7652   1
 -13  -2  -2 30.4308 25.1156   1
  13   2   2-15.1703 16.2577   1
  13   2   3 231.340 36.4381   1
 -13  -2  -3 217.907 40.2299   1
  13   2   4 132.035 30.2033   1
 -13  -2  -4 131.826 31.9440   1
  13   2   5-22.7995 15.4253   1
 -13  -2  -5 15.9023 15.3535   1
  13   2   6 8.47371 17.5326   1
 -13  -2  -6 61.1716 26.1194   1
  13   2   7 6.09772 10.5755   1
 -13  -2  -7 3.05669 15.1385   1
  13   2   8 23.5010 17.0431   1
 -13  -2  -8-7.53827 19.9207   1
  13   2   9-4.52955 12.3627   1
 -13  -2  -9-2.95639 16.4000   1
 -13  -2 -10 39.9010 21.4844   1
  13   2  10 26.2069 13.1241   1
 -13  -2 -11 42.6878 9.69832   1
 -13  -2 -11 71.0570 9.38310   1
 -13  -3   4 35.4681 24.3447   1
  13   3  -4 18.3970 24.6959   1
 -13  -3   3 218.062 42.2204   1
  13   3  -3 263.493 46.3242   1
  13   3  -2 70.1278 38.5940   1
 -13  -3   2 87.1870 33.9007   1
  13   3  -1 64.6634 26.8428   1
 -13  -3   1 47.9246 28.1686   1
 -13  -3   0 79.5640 28.9840   1
  13   3   0 7.48803 16.3239   1
 -13  -3  -1 52.1646 25.7458   1
  13   3   1 2.32206 18.1574   1
 -13  -3  -2 37.6720 28.3724   1
  13   3   2 57.1181 25.3918   1
 -13  -3  -3 174.679 34.4283   1
  13   3   3 143.437 26.2341   1
 -13  -3  -4 18.9319 19.1187   1
  13   3   4-17.0167 18.6782   1
 -13  -3  -5 170.874 32.7262   1
  13   3   5 161.807 32.1737   1
  13   3   6-13.8546 15.0641   1
 -13  -3  -6-3.83254 15.0819   1
  13   3   7 221.162 31.4823   1
 -13  -3  -7 193.116 32.0906   1
  13   3   8 21.7948 10.5460   1
 -13  -3  -8 26.6311 18.9124   1
  13   3   9 39.5991 17.3570   1
 -13  -3  -9 34.4616 21.8190   1
  13   3  10 158.933 23.5476   1
 -13  -3 -10 149.657 32.3092   1
 -13  -3 -11 4.58776 5.98048   1
  13   3  11-4.95489 10.4140   1
 -13  -4   4 59.3694 23.5552   1
  13   4  -4 65.3384 36.9154   1
 -13  -4   3 114.453 27.1475   1
  13   4  -3 131.520 33.9810   1
 -13  -4   2 168.110 33.2395   1
  13   4  -2 167.519 35.9633   1
 -13  -4   1 19.3694 17.4144   1
  13   4  -1-7.89466 22.7740   1
 -13  -4   0 394.818 49.5075   1
  13   4   0 314.925 48.9875   1
  13   4   1 60.1051 25.3874   1
 -13  -4  -1 74.5088 29.5213   1
  13   4   2 139.737 34.2553   1
 -13  -4  -2 165.242 29.7842   1
 -13  -4  -3 22.5024 19.5586   1
  13   4   3 59.2619 18.1406   1
 -13  -4  -4 207.366 36.3842   1
  13   4   4 188.400 34.3188   1
 -13  -4  -5 57.7220 17.8188   1
  13   4   5 64.0345 20.0042   1
  13   4   6 506.089 50.2444   1
 -13  -4  -6 529.303 54.6943   1
 -13  -4  -7 66.0449 15.2176   1
  13   4   7 63.5262 17.8564   1
 -13  -4  -8 69.6737 22.1678   1
  13   4   8 35.8470 14.6566   1
  13   4   9 246.334 31.6800   1
 -13  -4  -9 244.968 35.8859   1
  13   4  10-2.96867 10.3904   1
 -13  -4 -10 24.1175 19.8843   1
 -13  -4 -11 593.771 51.7618   1
  13   4  11 586.161 43.1140   1
 -13  -5   4 130.206 40.0765   1
  13   5  -4 77.9558 33.9213   1
 -13  -5   3 10.8623 20.1492   1
  13   5  -3 36.1249 20.7855   1
 -13  -5   2-4.83517 15.8211   1
  13   5  -2 30.3087 28.6183   1
  13   5  -1-8.38847 19.0544   1
 -13  -5   1-36.7390 20.7265   1
 -13  -5   0 48.7795 22.7454   1
  13   5   0 89.3629 32.9842   1
 -13  -5  -1 58.5777 19.7641   1
  13   5   1 55.0587 27.9207   1
 -13  -5  -2 170.955 34.3953   1
  13   5   2 129.435 27.6128   1
 -13  -5  -3 405.281 50.1714   1
  13   5   3 410.429 48.0751   1
  13   5   4 7.59702 11.1801   1
 -13  -5  -4-4.63772 10.7564   1
 -13  -5  -5 714.880 59.0829   1
  13   5   5 681.925 61.8296   1
  13   5   6 0.69991 12.6525   1
 -13  -5  -6 47.9398 20.4091   1
  13   5   7 28.8691 16.3060   1
 -13  -5  -7 33.7230 16.0890   1
  13   5   8 189.873 30.5792   1
 -13  -5  -8 172.628 26.9870   1
  13   5   9 49.8188 14.6498   1
 -13  -5  -9 51.6803 18.1580   1
  13   5  10 42.7051 16.7194   1
 -13  -5 -10-5.27550 11.2210   1
  13   5  11 148.461 20.0136   1
 -13  -5 -11 152.627 25.4750   1
  13   6  -3 177.230 40.9423   1
 -13  -6   3 114.145 29.5070   1
 -13  -6   2 25.6994 20.6586   1
  13   6  -2 44.3867 26.0529   1
 -13  -6   1 165.735 28.4376   1
  13   6  -1 204.031 41.0705   1
 -13  -6   0 22.0173 13.9345   1
  13   6   0 22.0713 14.4228   1
 -13  -6  -1 338.555 42.7515   1
  13   6   1 421.403 56.2405   1
 -13  -6  -2-32.4006 21.1080   1
  13   6   2 31.4118 22.6107   1
  13   6   3 724.947 66.9789   1
 -13  -6  -3 676.246 54.7041   1
  13   6   4 65.1877 25.1776   1
 -13  -6  -4 69.9896 24.1160   1
  13   6   5 598.532 55.7501   1
 -13  -6  -5 502.152 48.4887   1
  13   6   6 199.998 36.1455   1
 -13  -6  -6 203.106 33.0382   1
  13   6   7 130.070 27.3935   1
 -13  -6  -7 141.212 27.1100   1
  13   6   8 481.733 45.4614   1
 -13  -6  -8 440.792 41.3971   1
  13   6   9-0.62389 10.9647   1
 -13  -6  -9 28.9156 13.5469   1
  13   6  10 53.2003 15.1483   1
 -13  -6 -10 36.9805 16.6665   1
  13   6  11-11.1629 9.79152   1
 -13  -6 -11-2.89107 6.55420   1
 -13  -6 -11-21.2040 11.5306   1
 -13  -6 -11-2.96228 4.67968   1
  13   7  -2 139.784 38.6235   1
 -13  -7   2 90.8905 22.5582   1
  13   7  -1 83.5246 33.7661   1
 -13  -7   1 3.64812 19.0951   1
  13   7   0 360.785 53.8954   1
 -13  -7   0 387.862 47.9534   1
 -13  -7  -1-2.42772 19.4099   1
  13   7   1 26.5367 23.6740   1
  13   7   2 492.721 60.0648   1
 -13  -7  -2 469.848 47.8177   1
 -13  -7  -3 20.6851 15.9939   1
  13   7   3 36.6063 26.0870   1
 -13  -7  -4 1.45531 13.0107   1
  13   7   4 10.2643 19.7745   1
 -13  -7  -5-7.37714 11.2685   1
  13   7   5 38.6922 19.1086   1
 -13  -7  -6 207.469 30.0942   1
  13   7   6 214.337 34.0723   1
  13   7   7-4.01286 15.8637   1
 -13  -7  -7 27.1735 12.8831   1
  13   7   8 484.791 45.1666   1
 -13  -7  -8 414.395 38.2322   1
  13   7   9 117.656 24.1215   1
 -13  -7  -9 123.211 23.9852   1
  13   7  10-2.71152 10.7034   1
 -13  -7 -10 6.98966 8.43183   1
 -13  -7 -11 201.965 23.6303   1
 -13  -7 -11 178.936 25.9668   1
 -13  -7 -11 137.553 17.7091   1
  13   8  -1-41.1885 30.0521   1
  13   8  -1 27.6662 40.0210   1
  13   8   0 108.659 34.6327   1
  13   8   1 2.83001 25.4447   1
  13   8   2 356.056 51.0067   1
  13   8   3 25.4022 19.3358   1
  13   8   4 39.4173 20.5136   1
  13   8   5 17.6729 18.4691   1
  13   8   6 165.100 32.5989   1
  13   8   7 39.2786 23.0679   1
  13   8   8 192.345 33.8680   1
  13   8   9 90.7770 26.6692   1
 -13  -8 -10-12.9573 11.7316   1
 -13  -8 -10-5.03347 9.52097   1
  13   9   0 5.24334 20.7448   1
  13   9   1 120.225 40.3617   1
  13   9   1 115.395 36.9989   1
  13   9   2 114.808 39.2983   1
  13   9   2 32.9120 26.0423   1
  13   9   3 266.141 46.3720   1
  13   9   3 195.851 37.7503   1
  13   9   4 25.9392 28.9504   1
  13   9   4 29.3002 24.9468   1
  13   9   5 122.387 35.6456   1
  13   9   5 118.396 26.8608   1
  13   9   6 51.4582 27.4986   1
  13   9   6 41.0958 23.6953   1
  13   9   7 176.477 38.9843   1
  13   9   7 258.277 38.5022   1
  13   9   8 52.7361 23.2606   1
  13   9   8 22.8667 13.1900   1
  14   1   1 72.6871 29.1995   1
 -14  -1  -1 64.7736 39.6426   1
  14   1   2 139.881 36.5996   1
 -14  -1  -2 57.1512 27.9354   1
  14   1   3 64.2289 25.2849   1
 -14  -1  -3 54.4088 36.0045   1
  14   1   4 196.130 36.7398   1
 -14  -1  -4 212.665 47.8661   1
  14   1   5 59.3488 26.1524   1
 -14  -1  -5-7.19426 21.6092   1
 -14  -2   0 26.3361 26.5851   1
  14   2   0 69.4756 28.5274   1
 -14  -2  -1 24.9289 27.6245   1
  14   2   1 29.8632 21.9368   1
 -14  -2  -2-7.34584 28.0566   1
  14   2   2 23.1585 16.9121   1
 -14  -2  -3-16.6569 17.8026   1
  14   2   3-5.05947 15.0526   1
  14   2   4 88.3524 28.1348   1
 -14  -2  -4 175.997 37.7778   1
  14   2   5-17.0282 15.7618   1
 -14  -2  -5 17.3952 20.1618   1
  14   2   6 131.852 30.5560   1
 -14  -2  -6 161.600 43.3613   1
  14   2   7 44.3867 19.5941   1
 -14  -2  -7 44.1009 22.8892   1
  14   3  -1 81.8961 34.2212   1
 -14  -3   1 146.614 43.6677   1
  14   3   0 48.5567 27.8701   1
 -14  -3   0 92.2851 41.9745   1
 -14  -3  -1 252.221 48.4594   1
  14   3   1 233.076 41.8882   1
 -14  -3  -2 22.2765 26.2060   1
  14   3   2-1.28585 17.9457   1
 -14  -3  -3 177.683 41.2526   1
  14   3   3 115.545 36.6203   1
 -14  -3  -4-13.5332 19.7581   1
  14   3   4-25.0374 15.9145   1
 -14  -3  -5 66.4138 25.4517   1
  14   3   5 138.306 30.0382   1
 -14  -3  -6 41.6796 17.9558   1
  14   3   6-2.97171 16.0207   1
  14   3   7 163.049 29.2250   1
 -14  -3  -7 222.976 36.7435   1
  14   3   8 58.9450 23.2345   1
 -14  -3  -8 11.0044 29.0657   1
 -14  -4   1-30.8325 28.2636   1
  14   4  -1-25.8426 26.9142   1
 -14  -4   0 44.7204 27.7205   1
  14   4   0 28.2940 21.2901   1
  14   4   1-6.17116 15.6410   1
 -14  -4  -1-24.8479 21.2405   1
  14   4   2-5.89828 22.3083   1
 -14  -4  -2 29.3076 21.2455   1
  14   4   3-3.97165 15.5623   1
 -14  -4  -3-1.07239 21.6476   1
  14   4   4 47.6150 20.9616   1
 -14  -4  -4 91.5737 26.6785   1
  14   4   5 17.0678 19.0037   1
 -14  -4  -5 28.7408 19.6525   1
  14   4   6 61.8852 19.8799   1
 -14  -4  -6 80.6380 25.2470   1
  14   4   7-7.53586 13.8990   1
 -14  -4  -7-5.50701 15.0211   1
  14   4   8 35.6864 20.7266   1
 -14  -4  -8 8.75847 19.6632   1
 -14  -5   0 7.84723 20.5143   1
  14   5   0 48.9636 31.2848   1
 -14  -5  -1 0.30726 22.6519   1
  14   5   1 55.7679 31.0109   1
 -14  -5  -2 13.9656 14.6355   1
  14   5   2 18.6951 17.8836   1
 -14  -5  -3 163.885 37.0348   1
  14   5   3 163.030 40.5204   1
  14   5   4 147.031 32.5312   1
 -14  -5  -4 175.080 35.4723   1
  14   5   5-10.2702 15.4742   1
 -14  -5  -5 26.4862 16.5186   1
 -14  -5  -6 583.494 58.2028   1
  14   5   6 556.825 53.5861   1
  14   5   7 63.3772 23.4341   1
 -14  -5  -7 78.3263 29.8113   1
  14   5   8 33.9561 19.0734   1
 -14  -5  -8 14.8206 21.1261   1
 -14  -6   0 233.315 44.0157   1
  14   6   0 214.727 41.6244   1
 -14  -6  -1 325.716 47.7930   1
  14   6   1 243.200 48.3160   1
 -14  -6  -2 6.12901 17.1843   1
  14   6   2 34.0950 22.8185   1
 -14  -6  -3 171.366 33.0436   1
  14   6   3 226.593 40.5585   1
  14   6   4 5.15569 19.1887   1
 -14  -6  -4-11.4842 14.7883   1
  14   6   5 109.727 26.0960   1
 -14  -6  -5 130.905 25.5224   1
  14   6   6-15.1849 20.2713   1
 -14  -6  -6-0.82183 20.1969   1
  14   6   7 232.353 38.0952   1
 -14  -6  -7 249.151 36.0666   1
  14   6   8 84.3443 22.7846   1
 -14  -6  -8 68.3937 21.0812   1
  14   7   2 50.2011 23.5465   1
 -14  -7  -2 37.9109 16.1862   1
 -14  -7  -3 100.474 28.9481   1
  14   7   3 132.286 33.6540   1
 -14  -7  -4 91.6569 24.3177   1
  14   7   4 162.704 33.6403   1
 -14  -7  -5 17.0586 16.7548   1
  14   7   5 52.2526 21.6821   1
 -14  -7  -6 13.3355 15.2877   1
  14   7   6 67.0332 28.4153   1
 -14  -7  -7 48.2821 25.3806   1
   0   0   0    0.00    0.00   0
TITL ALL in P-1
REM P-1 (#2 in standard setting)
CELL 0.71073  11.738427  11.753678  15.310287  80.1144  78.1563  73.2778
ZERR    8.00   0.001205   0.001077   0.000943   0.0069   0.0076   0.0086
LATT  1
SFAC C H N O
UNIT 88.00 80.00 8.00 8.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum              37423

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2287513'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT911_shelx               
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600        120 Report
RESPONSE: Due to weak reflections
;
# Added during the CSD deposition process: Tuesday 08 August 2023 01:37 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H22 Cd Cl2 N10'
_chemical_formula_sum            'C16 H22 Cd Cl2 N10'
_chemical_formula_weight         537.73

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'
Cd Cd -0.8075 1.2024 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.1207(3)
_cell_length_b                   17.0820(8)
_cell_length_c                   8.8551(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.076(2)
_cell_angle_gamma                90
_cell_volume                     1074.37(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4083
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_F_000             540
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.290
_shelx_estimated_absorpt_T_min   0.512
_shelx_estimated_absorpt_T_max   0.698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.84554
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.111a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            4042
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.106
_diffrn_reflns_theta_max         25.995
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measured_fraction_theta_full 0.937
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_Laue_measured_fraction_full 0.937
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_point_group_measured_fraction_full 0.937
_reflns_number_total             1975
_reflns_number_gt                1871
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_publication_material  WinGX
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0830P)²+0.2613P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1975
_refine_ls_number_parameters     144
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_ref         0.1264
_refine_ls_wR_factor_gt          0.1235
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.3541(6) -0.0241(3) 0.3143(5) 0.0552(9) Uani 1 1 d . . . . .
H1A H -0.465581 0.000757 0.269664 0.083 Uiso 1 1 calc R U . . .
H1B H -0.381444 -0.048329 0.407969 0.083 Uiso 1 1 calc R U . . .
H1C H -0.312218 -0.063101 0.246255 0.083 Uiso 1 1 calc R U . . .
C2 C -0.2027(4) 0.03597(19) 0.3437(3) 0.0376(6) Uani 1 1 d . . . . .
C3 C -0.1727(5) 0.0859(2) 0.4703(4) 0.0424(7) Uani 1 1 d . . . . .
C4 C -0.0176(4) 0.12972(18) 0.4442(3) 0.0362(6) Uani 1 1 d . . . . .
C5 C 0.0744(5) 0.1944(2) 0.5371(4) 0.0514(8) Uani 1 1 d . . . . .
H5A H 0.049459 0.243564 0.487234 0.077 Uiso 1 1 calc R U . . .
H5B H 0.207881 0.185636 0.548324 0.077 Uiso 1 1 calc R U . . .
H5C H 0.024870 0.195266 0.635067 0.077 Uiso 1 1 calc R U . . .
C6 C 0.1986(4) 0.12631(16) 0.2306(3) 0.0310(6) Uani 1 1 d . . . . .
C7 C 0.3919(4) 0.12727(18) 0.0645(4) 0.0380(7) Uani 1 1 d . . . . .
C8 C 0.6098(5) 0.2298(2) 0.1806(5) 0.0554(9) Uani 1 1 d . . . . .
H8A H 0.680515 0.221191 0.093733 0.083 Uiso 1 1 calc R U . . .
H8B H 0.688079 0.219203 0.271056 0.083 Uiso 1 1 calc R U . . .
H8C H 0.567961 0.283187 0.181580 0.083 Uiso 1 1 calc R U . . .
Cd1 Cd 0.000000 0.000000 0.000000 0.02848(19) Uani 1 2 d S . P . .
Cl1 Cl 0.19093(13) -0.11215(5) 0.12131(11) 0.0437(3) Uani 1 1 d . . . . .
N1 N -0.0744(3) 0.04680(14) 0.2460(3) 0.0329(5) Uani 1 1 d . . . . .
N2 N 0.0401(3) 0.10493(14) 0.3075(3) 0.0322(5) Uani 1 1 d . . . . .
N3 N 0.2326(4) 0.09314(18) 0.0972(3) 0.0349(6) Uani 1 1 d . . . . .
N4 N 0.4473(3) 0.17782(15) 0.1736(3) 0.0396(6) Uani 1 1 d . . . . .
N5 N 0.3219(3) 0.17896(16) 0.2830(3) 0.0398(6) Uani 1 1 d . . . . .
H3 H -0.251(5) 0.091(2) 0.550(5) 0.039(9) Uiso 1 1 d . . . . .
H7 H 0.459(5) 0.119(2) -0.027(5) 0.035(8) Uiso 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 0.049(2) 0.069(2) 0.049(2) -0.009(2) 0.0130(17) -0.022(2)
C2 0.0384(15) 0.0462(18) 0.0286(14) -0.0006(12) 0.0043(11) -0.0025(13)
C3 0.0446(15) 0.0539(18) 0.0299(16) -0.0060(13) 0.0106(12) -0.0002(13)
C4 0.0398(14) 0.0444(16) 0.0242(17) -0.0076(13) 0.0020(11) 0.0025(12)
C5 0.063(2) 0.057(2) 0.0347(17) -0.0187(16) 0.0074(15) -0.0105(17)
C6 0.0326(12) 0.0348(13) 0.0252(14) -0.0029(11) -0.0010(10) -0.0003(10)
C7 0.0369(14) 0.0435(16) 0.0342(16) -0.0082(12) 0.0069(12) -0.0066(12)
C8 0.0475(17) 0.061(2) 0.059(2) -0.0159(18) 0.0082(16) -0.0234(16)
Cd1 0.0309(3) 0.0328(3) 0.0214(3) -0.00352(8) -0.00034(17) -0.00075(8)
Cl1 0.0502(5) 0.0468(5) 0.0338(5) 0.0051(3) 0.0018(4) 0.0126(4)
N1 0.0349(11) 0.0392(12) 0.0244(12) -0.0047(9) 0.0011(9) -0.0025(9)
N2 0.0349(11) 0.0381(12) 0.0235(12) -0.0047(9) 0.0021(9) -0.0016(9)
N3 0.0363(13) 0.0410(14) 0.0278(14) -0.0069(11) 0.0049(10) -0.0062(11)
N4 0.0382(12) 0.0434(13) 0.0373(14) -0.0059(11) 0.0033(10) -0.0100(11)
N5 0.0410(13) 0.0447(13) 0.0339(13) -0.0093(11) 0.0049(11) -0.0072(11)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.497(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 N1 1.315(4) . ?
C2 C3 1.413(4) . ?
C3 C4 1.368(5) . ?
C3 H3 0.93(4) . ?
C4 N2 1.373(4) . ?
C4 C5 1.499(4) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 N5 1.318(4) . ?
C6 N3 1.348(4) . ?
C6 N2 1.407(4) . ?
C7 N3 1.326(4) . ?
C7 N4 1.334(4) . ?
C7 H7 0.98(4) . ?
C8 N4 1.456(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
Cd1 N3 2.411(3) 3 ?
Cd1 N3 2.411(3) . ?
Cd1 N1 2.414(2) 3 ?
Cd1 N1 2.414(2) . ?
Cd1 Cl1 2.5426(9) . ?
Cd1 Cl1 2.5426(9) 3 ?
N1 N2 1.373(3) . ?
N4 N5 1.363(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
_geom_angle_publ_flag
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 111.3(3) . . ?
N1 C2 C1 120.5(3) . . ?
C3 C2 C1 128.2(3) . . ?
C4 C3 C2 106.0(3) . . ?
C4 C3 H3 128(2) . . ?
C2 C3 H3 126(2) . . ?
C3 C4 N2 106.0(3) . . ?
C3 C4 C5 129.6(3) . . ?
N2 C4 C5 124.4(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N5 C6 N3 116.0(3) . . ?
N5 C6 N2 123.0(3) . . ?
N3 C6 N2 121.0(2) . . ?
N3 C7 N4 109.9(3) . . ?
N3 C7 H7 127(2) . . ?
N4 C7 H7 123(2) . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 Cd1 N3 180.0 3 . ?
N3 Cd1 N1 69.44(9) 3 3 ?
N3 Cd1 N1 110.56(9) . 3 ?
N3 Cd1 N1 110.56(9) 3 . ?
N3 Cd1 N1 69.44(9) . . ?
N1 Cd1 N1 180.0 3 . ?
N3 Cd1 Cl1 89.24(8) 3 . ?
N3 Cd1 Cl1 90.76(8) . . ?
N1 Cd1 Cl1 89.24(6) 3 . ?
N1 Cd1 Cl1 90.76(6) . . ?
N3 Cd1 Cl1 90.76(8) 3 3 ?
N3 Cd1 Cl1 89.24(8) . 3 ?
N1 Cd1 Cl1 90.76(6) 3 3 ?
N1 Cd1 Cl1 89.24(6) . 3 ?
Cl1 Cd1 Cl1 180.0 . 3 ?
C2 N1 N2 105.2(2) . . ?
C2 N1 Cd1 138.94(19) . . ?
N2 N1 Cd1 115.80(17) . . ?
N1 N2 C4 111.5(2) . . ?
N1 N2 C6 118.0(2) . . ?
C4 N2 C6 130.3(2) . . ?
C7 N3 C6 102.5(3) . . ?
C7 N3 Cd1 142.1(2) . . ?
C6 N3 Cd1 115.4(2) . . ?
C7 N4 N5 110.5(2) . . ?
C7 N4 C8 128.2(3) . . ?
N5 N4 C8 121.3(3) . . ?
C6 N5 N4 101.2(2) . . ?

_refine_diff_density_max         0.762
_refine_diff_density_min         -2.244
_refine_diff_density_rms         0.124

_shelx_res_file                  
;
TITL MC163001YG in space group P 1 21/c 1
    shelx.res
    created by SHELXL-2018/3 at 12:09:53 on 08-Aug-2023
CELL  0.71075   7.1207  17.0820   8.8551   90.000   94.076   90.000
ZERR     2.00   0.0003   0.0008   0.0004    0.000    0.002    0.000
LATT   1
SYMM  - X, 1/2 + Y, 1/2 - Z
SFAC  C    H    CD   CL   N
UNIT  32 44 2 4 20
MERG   2
OMIT    -4.00  52.00
FMAP   2
PLAN    5
SIZE     0.300   0.400   0.600
ACTA
BOND   $H
L.S.  40
TEMP    20.00
WGHT    0.083000    0.261300
FVAR       1.53682
C1    1   -0.354061   -0.024059    0.314252    11.00000    0.04934    0.06869 =
         0.04885   -0.00860    0.01301   -0.02247
AFIX 137
H1A   2   -0.465581    0.000757    0.269664    11.00000   -1.50000
H1B   2   -0.381444   -0.048329    0.407969    11.00000   -1.50000
H1C   2   -0.312218   -0.063101    0.246255    11.00000   -1.50000
AFIX   0
C2    1   -0.202726    0.035966    0.343670    11.00000    0.03837    0.04617 =
         0.02863   -0.00060    0.00427   -0.00248
C3    1   -0.172730    0.085891    0.470260    11.00000    0.04458    0.05388 =
         0.02995   -0.00598    0.01056   -0.00023
C4    1   -0.017551    0.129721    0.444202    11.00000    0.03982    0.04444 =
         0.02419   -0.00763    0.00198    0.00246
C5    1    0.074436    0.194359    0.537056    11.00000    0.06309    0.05709 =
         0.03470   -0.01869    0.00741   -0.01047
AFIX 137
H5A   2    0.049459    0.243564    0.487234    11.00000   -1.50000
H5B   2    0.207881    0.185636    0.548324    11.00000   -1.50000
H5C   2    0.024870    0.195266    0.635067    11.00000   -1.50000
AFIX   0
C6    1    0.198631    0.126309    0.230603    11.00000    0.03262    0.03484 =
         0.02516   -0.00286   -0.00098   -0.00028
C7    1    0.391927    0.127266    0.064461    11.00000    0.03691    0.04353 =
         0.03422   -0.00816    0.00689   -0.00662
C8    1    0.609804    0.229777    0.180587    11.00000    0.04748    0.06059 =
         0.05881   -0.01592    0.00818   -0.02335
AFIX 137
H8A   2    0.680515    0.221191    0.093733    11.00000   -1.50000
H8B   2    0.688079    0.219203    0.271056    11.00000   -1.50000
H8C   2    0.567961    0.283187    0.181580    11.00000   -1.50000
AFIX   0
CD1   3    0.000000    0.000000    0.000000    10.50000    0.03094    0.03278 =
         0.02139   -0.00352   -0.00034   -0.00075
CL1   4    0.190927   -0.112150    0.121314    11.00000    0.05021    0.04680 =
         0.03382    0.00505    0.00176    0.01262
N1    5   -0.074387    0.046804    0.245989    11.00000    0.03487    0.03924 =
         0.02441   -0.00470    0.00111   -0.00252
N2    5    0.040119    0.104932    0.307482    11.00000    0.03492    0.03805 =
         0.02351   -0.00471    0.00209   -0.00158
N3    5    0.232626    0.093142    0.097157    11.00000    0.03627    0.04098 =
         0.02779   -0.00691    0.00487   -0.00623
N4    5    0.447258    0.177818    0.173594    11.00000    0.03817    0.04344 =
         0.03732   -0.00590    0.00327   -0.00995
N5    5    0.321945    0.178956    0.282993    11.00000    0.04103    0.04472 =
         0.03388   -0.00932    0.00493   -0.00721
H3    2   -0.250859    0.090910    0.549727    11.00000    0.03946
H7    2    0.459216    0.119495   -0.026744    11.00000    0.03540
HKLF    4




REM  MC163001YG in space group P 1 21/c 1
REM wR2 = 0.1264, GooF = S = 1.073, Restrained GooF = 1.073 for all data
REM R1 = 0.0450 for 1871 Fo > 4sig(Fo) and 0.0466 for all 1975 data
REM 144 parameters refined using 0 restraints

END

WGHT      0.0822      0.2955

REM Highest difference peak  0.762,  deepest hole -2.244,  1-sigma level  0.124
Q1    1  -0.1678  0.0012 -0.0574  11.00000  0.05    0.76
Q2    1  -0.0870  0.0358 -0.0437  11.00000  0.05    0.71
Q3    1   0.1336 -0.0526  0.1011  11.00000  0.05    0.61
Q4    1  -0.0672 -0.0473 -0.0408  11.00000  0.05    0.59
Q5    1   0.1357  0.0519  0.0964  11.00000  0.05    0.52
;
_shelx_res_checksum              16599

_shelx_hkl_file                  
;
  -1  -1   0  153.46   13.21
   1   1   0  156.60   13.59
   1  -1   0  196.24   16.27
   0  -3   0    0.46    0.65
  -1  -2   034444.77  612.88
   1   2   033319.46  593.35
  -1   0  -1    5.59    1.56
  -1  -1  -1 1830.16   46.87
   1   1   1 1969.63   46.81
  -1   1  -1 2062.32   44.95
   0   3   1 7631.76  144.42
   1   2   1   61.10    6.82
  -1   2  -1   72.40    6.51
   1  -2   1   74.92    7.83
  -1  -3   0 1194.44   96.43
   1   3   0 1181.73  108.61
   0   0   2 2782.20   58.56
   0   0  -2 2932.06   61.91
   0  -1   2   55.77    8.37
   0   1   2   32.60    3.23
   0  -1  -2   29.83    4.02
   0   4   0  921.85   80.52
   0  -4   0  921.75   77.58
   1   3  -1 3437.32   78.29
   0  -2   210424.21  206.64
   0   2   212253.13  231.16
   0  -2  -212037.23  227.42
   1   3   190413.01 1359.36
  -1  -3  -186164.71 1296.08
   0  -4  -1  519.07   37.91
   0   4   1  524.87   19.46
   1  -1  -2 3727.77   80.67
   1   1  -2 3246.74   70.36
  -1   1   2 3200.31   65.04
   1   4   0 1379.51  119.99
  -1  -4   0 1303.66  105.64
  -1  -1  -210310.48  202.09
   1   1   211368.90  225.36
  -2   0   0 4574.92   96.98
   2   0   0 4669.26   98.67
   1  -2  -221395.50  387.03
   0   3   210425.87  203.98
  -2   1   0 1870.26   41.20
   2   1   0 1978.16   73.21
  -2  -1   0 2058.53  117.14
   1   4  -1 3192.98   76.39
   0   5   0    4.70    0.83
   0  -5   0    2.12    0.49
   2   0  -1    4.25    0.88
   1  -2   2  365.57   39.98
   1   2   2  315.18   35.67
  -1  -2  -2  307.61   33.71
  -1   2  -2  373.11   37.96
  -1   4  -126970.71  482.13
   1   4   121289.92  393.26
   2  -1  -1 7910.66  155.14
   2   1  -1 7574.42  155.06
  -2  -2   0 4340.19  249.37
   2   2   0 3954.30  101.04
   2   0   1   11.33    2.19
  -2   0  -1   26.09    3.84
   1  -3  -2  594.15   19.65
   0   5   1 1492.52   37.74
   0  -5  -1 1432.03  107.75
   2   1   1 3292.42   81.04
   2  -1   1 3669.88   82.49
  -2  -1  -1 3304.99   79.30
   2  -2  -1 5870.46  118.00
   2   2  -1 5622.93  126.65
  -1   5   0 3409.45   67.58
   1   5   0 3313.96   82.74
   0  -4  -2 4065.84   96.71
   0   4  -2 4161.20   96.88
   0   4   2 4501.68  101.45
  -1   3  -2 8338.12  170.19
  -1  -3  -2 6581.94  139.40
  -2  -3   013527.16  262.29
  -2   3   014827.88  267.67
   2   3   014157.39  273.20
  -2  -2  -1   10.25    1.74
   2   2   1   16.04    2.14
   0   0   3    0.05    1.57
   1   5  -1  294.64   20.78
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   4   2  -1  600.92   47.99
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   2   8  -210926.47  347.96
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   4   1   113661.73  424.31
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   3   7   0    7.45    1.47
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   4  -3   0  790.12   70.58
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   4   3   0  608.33   39.34
   4   0  -2   59.52    7.37
   0   3   511520.83  364.01
   0  -3   510355.69  332.57
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   1   0   5   37.80   10.92
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   3   7  -1 3870.49  308.59
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   1   9   2  155.88   12.93
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   4   1  -2  276.06   17.03
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   1   1   5 6000.09  205.75
   1  -1   5 6000.14  204.83
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   2   9   0  320.33   31.64
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   2   4   4 5059.95  177.02
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   2   8   2 5425.77  186.56
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   3   5  -3 4674.49  354.67
   3   1  -4 1672.85  114.28
   3  -1  -4 1690.78  136.75
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   4  -2  -2 3661.96  264.80
   4   2  -2 3477.96  231.37
   2   9  -1 9080.36  294.40
   1  -2   5 1673.77  138.52
   1   2   5 1900.11  172.78
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  -1  -2  -5 1676.48   84.00
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   3   7   1 2465.56  256.52
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   3  -6   2 2073.78   47.55
  -3  -4  -3 1030.40   52.99
  -3   4  -3 1222.80   77.15
   3   4   3 1363.68  120.55
  -4  -3  -1 5193.91  260.19
   4   3   1 5248.08  181.84
   4  -3   1 5916.82  191.98
  -4   3  -1 5040.32  166.76
   3  -2  -4 7095.29  229.12
   4   4   0 1623.68  147.06
  -4   4   0 1635.03   99.93
   0   7  -4   27.58    4.51
   0  -7  -4   23.47    3.37
   1  10  -1 1687.65  130.11
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   2   9   1 1396.68  118.91
   0   4  -5 1521.65  111.73
   0  -4   5 1299.37  117.88
   0  -4  -5 1336.09   89.10
   0   4   5 1472.66  121.14
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  -2   7  -3 8406.84  272.09
   2   7   3 7292.57  242.59
   2   0  -5   18.29    5.18
   1  10   1   -1.90    2.79
  -1 -10  -1    3.01    2.25
  -1  10  -1    6.79    1.42
   2  -1  -5 7434.08  406.41
   4   3  -2   78.44    8.97
   1   3   5 9537.03  313.98
   1  -3   5 8864.22  289.39
   1   7  -4 1621.35  135.16
  -1   7   4 1688.48  154.57
   1  -7  -4 1566.14  120.23
   1  -4  -5    0.83    4.29
  -1   4   5   10.75    2.71
   3   7  -2  762.63   62.17
   3  -3  -4 1589.26  125.50
   2  -5   4  738.13   64.54
  -2  -5  -4  605.33   48.61
   2   5   4  749.56   56.65
  -2   6   4 2112.49   78.03
   4  -1   2   92.53   10.87
   2   2  -5 4099.58  271.35
   2  -2  -5 4416.41  343.93
   0   9  -3 2846.81  188.92
  -4  -4  -1  321.56   34.28
   4   4   1  351.94   27.09
   0 -10  -2 8094.87  473.08
   0  10  -2 7850.99  253.65
   3   6  -3 1980.01  141.01
  -3  -8   0 2859.16  187.50
   3   8   0 2816.38  299.09
   2   9  -2  118.88    7.55
   3  -5   3  721.40   62.05
   3   5   3  629.65   52.05
  -3  -5  -3  535.62   41.04
  -4  -2  -2 7905.06  445.14
  -4   2  -2 8677.06  492.52
   4   2   2 8459.74  277.55
   4  -2   2 9442.32  300.53
   2   8  -3  738.38   47.50
   1   7   4  111.45    9.42
  -1  -7  -4   95.86   10.48
  -1   7  -4  119.82   12.78
  -4   5   0   32.50    3.19
  -4  -5   0   33.36    4.02
   4   5   0   39.14    4.90
   3   8  -1 1694.02  150.40
   4   4  -219726.95  226.51
   4   0  -3    2.04    1.84
   0  -5  -517044.23  525.49
  -1  -4  -5  457.84   37.69
   1  -4   5  497.48   43.98
   1   4   5  554.66   48.09
  -1   4  -5  518.76   37.67
  -4  -5   1 9381.00  533.12
   4   5  -1 8664.77  284.90
  -2   3   5 5399.70  182.66
   2   3  -5 6556.88  223.21
   4   1  -3 2464.54  152.39
   4  -1  -3 2415.35  183.30
   1  10  -213307.83  433.24
  -3   0  -4 9656.98  313.25
   3   0   411697.46  373.00
   3   7   2  275.37   21.22
  -3   7  -2  288.54   23.24
  -3  -7  -2  236.29   20.10
   3  -1   4   70.83   15.38
  -3  -1  -4  143.73   32.55
  -3   1  -4   52.18   24.30
   1   5  -516785.66  524.16
   0  11   0    1.22    1.21
  -2   9  -2   90.31    7.24
   2   9   2   76.71    7.34
   3   8   1  597.75   50.72
  -3  -8  -1  469.16   38.14
  -4   3  -2   13.70    2.28
  -4  -3  -2   13.50    3.50
   4   3   2   22.72    4.68
   4  -3   2   22.02    3.06
   1  10   2 3265.29  255.99
  -1 -10  -2 2666.40  118.58
   4  -2  -3    0.94    1.74
   4   2  -3    4.68    3.44
  -1   9  -3 1182.11   76.02
  -1  -9  -3  831.34   60.43
   1   9   3 1034.54   82.33
   2  10   0 1829.74  182.00
  -2 -10   0 2042.29  137.25
  -3  -2  -4 7401.33  457.32
   3  -2   4 8009.68  263.80
   0  -8  -4 1594.27   91.59
   4  -5   1 3048.02  105.19
  -4  -5  -1 2408.56  130.56
   4   5   1 2423.01  158.16
  -2   1  -521292.78  655.88
   2  -1   522786.69  283.34
  -2   6  -4 3012.03  170.70
  -2  -6  -4 2412.36  152.25
   2   6   4 2871.09  250.31
   0  11  -1 4478.37  153.14
   0 -11  -1 4543.54  164.80
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   2   8   3  663.76   51.90
  -2  -8  -3  518.63   44.11
   2  10  -1  598.57   46.44
   2   4  -5  169.21   14.60
   1  11   0  283.33   24.51
   1   8  -4 3340.46  285.87
   3   8  -2 4441.42  336.60
   4   5  -2  115.63   10.04
   2  -2   5   13.53    2.47
  -2   2  -5   16.31    5.19
  -2  -2  -5  172.57   53.13
   4   3  -311862.17  379.35
   1   5   5 5402.08  190.00
  -1  -5  -5 5462.23  372.11
  -1   5  -5 6925.64  442.08
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  -3   6  -3 3104.68  229.48
   3   6   3 3324.57  293.24
   2  10   1   20.03    3.60
   4   6   0 3116.23  272.93
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   3   7  -3 6782.22  440.65
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   4   4   2 1311.33  108.59
  -4   4  -2 1213.70   70.12
   3   3   4  438.26   33.20
  -3  -3  -4  316.11   76.33
   3  -5  -4  742.80   69.67
   0   6   5 4143.44  330.84
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   1  11  -110044.60  322.95
  -1  11  -1 1581.98  143.20
  -1 -11  -1 1476.72   95.29
   1   6  -5  618.09   55.55
   1  -6  -5  599.63   65.90
  -2  -3  -5 2183.25  165.19
   2  -3   5 2495.43  201.71
  -2   3  -5 2408.57  138.53
   2   3   5 2715.46  203.83
   1   8   4 3829.40  308.90
  -1  -8  -4 3257.33  199.21
   3   9   0  118.79    9.29
  -3  -9   0  128.58   11.10
   0 -10  -3  131.13   12.13
   0  10   3  166.53   15.63
   2   9  -3 9220.86  303.17
  -4   0  -3   40.39   13.63
   4   4  -3  115.71   10.44
   0   0   6 4554.22  166.13
   0   0  -6 5414.65  191.90
   3   9  -1  814.96   59.58
  -4   6  -1 1782.81  151.60
   4   6   1 1826.57  124.01
  -4  -6  -1 1782.16   90.86
  -3  -8  -211879.86  634.21
   3   8   212050.79  387.15
   2   5  -5 7446.91  501.31
  -2   5   5 5818.54  193.54
   4   1   3 6893.23  234.03
  -4   1  -3 6573.77  387.53
  -4  -1  -3 6785.20  379.07
   2  10  -2 4952.52  360.26
   3   0  -5    4.80    4.01
   0   1   6  379.14   31.88
   0  -1   6  337.46   24.01
   0  -1  -6  395.93   21.50
   0   1  -6  375.30   42.57
   3  -4   4 4275.88  338.80
   3   4   4 3933.87  313.38
  -3   4  -4 3575.38  211.25
  -3  -4  -4 3202.35  194.56
   0  11  -2 1522.83  145.55
   0 -11  -2 1464.98   94.53
   0  11   2 1640.01  145.91
   1   0  -6  471.80   36.02
  -1   0   6  425.82   38.07
   3   1  -5 4049.12  258.42
  -2   7  -4 3738.27  216.69
   2   7   4 3291.74  240.44
   2  -7   4 2723.62  105.91
  -2  -7  -4 2781.89  173.81
   1 -10  -3 1024.55   73.15
  -1  -1   6  169.87   14.29
   1  -1  -6  201.74   16.33
   1   1  -6  186.87   19.32
   4  -5   2   18.32    4.10
  -4   5  -2   11.51    1.96
   4   5   2    7.93    3.38
  -4  -5  -2    9.43    2.52
   4  -2   3   61.32    5.67
  -4   2  -3   39.69    4.21
   4   2   3   61.84   14.44
   4   6  -2 5691.01  435.57
   1  -6   5 1880.35  159.28
   1   6   5 2106.83  141.49
  -1  -6  -5 1793.91  160.10
   0   2   6 4287.58  157.82
   0  -2   6 3957.11  149.21
   0   2  -6 5319.74  332.69
   0  -2  -6 5069.01  394.52
   3   9   1 3413.67  276.42
  -3  -9  -1 2896.97  123.54
   2   4   5  366.21   28.18
  -2  -4  -5  305.83   24.71
  -2   4  -5  360.21   32.07
   3   2  -5   35.14    4.93
   3  -2  -5   49.06    5.61
   1  11  -2  496.41   44.59
  -1  11   2  658.93   58.73
   1   2  -6 6831.95  516.67
  -1  -2   6 4532.67  194.93
   1  -2  -6 6589.99  474.72
   3  -7   3 4909.49  199.85
  -3   7  -3 4734.52  192.99
   3   7   3 4339.86  213.25
  -3  -7  -3 4275.29  234.41
  -2 -10  -2 2199.70  115.78
   0   9   4  746.45   54.89
   0  -9  -4  617.01   28.18
   0   9  -4  739.07   45.72
  -1 -10  -3   66.74    5.60
   1  10   3   70.62    5.75
  -1  10  -3  109.76    7.69
   4   7   0  813.55   64.75
  -4  -7   0  850.21   46.17
   2   9   315686.46  181.93
  -2  -9  -314546.38  634.17
   4   0  -4 5403.43  222.80
   0   7  -5 7075.42  439.41
   0   7   5 6171.85  251.01
   0  -7  -5 5979.06  365.23
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   4   1  -4  130.39   18.39
  -1 -11  -2  700.14   52.24
  -1  11  -2  821.73   60.95
   1  11   2  760.77   58.54
  -4   3  -3 1263.62   77.67
   4  -3   3 1660.66  139.66
  -4  -3  -3 1248.33   86.78
   4   3   3 1503.78  129.60
   4   5  -3 6835.69  491.31
   0   3   6  126.36   11.19
   0  -3   6  113.47   10.08
   0  -3  -6  141.75   13.28
   3   8  -3   10.63    2.19
   1  -9  -4 1721.27  123.85
   1   9  -4 1991.34  175.61
   0  12   0  689.78   40.16
   3   9  -2   38.77    4.26
   2  11   0  331.01   24.63
  -2 -11   0  401.68   26.62
   1   0   6 7724.29  313.94
  -1   0  -6 8935.98  461.89
   5   0   019634.98  187.53
   3  -3  -5 6250.43  251.11
   3   3  -5 5850.66  434.89
   3   5   4  899.06   68.98
  -3   5  -4  793.02   70.97
  -3  -5  -4  679.78   42.16
   1   7  -510935.19  432.48
   5   0  -1    4.63    2.28
  -5   0   1   -0.56    4.43
   1   1   6  306.89   19.38
  -1   1  -6  258.54   25.23
  -1  -1  -6  300.55   16.91
   1   3  -6    1.94   10.33
  -1   3   6   30.36    5.92
   5  -1   0  770.58   53.09
   5   1   0  769.40   49.24
  -5  -1   0  584.05  105.01
   4   2  -4 1931.58  133.93
   2  -6  -5 1016.72   64.51
   2   6  -5 1048.59   84.33
  -2   6   5  961.84  101.61
  -5   1   1 7486.31  514.02
  -5  -1   1 8109.63  455.33
   5   1  -1 7268.72  533.37
   2  11  -1 2543.66  200.00
   0  12   1   64.29    5.91
   0  12  -1   52.01    5.32
   0 -12  -1   57.57    5.42
  -4  -7  -1 3215.85  179.07
   4   7   1 3128.87  315.49
   2  -5   5 2385.47  214.07
   2   5   5 2523.21  174.67
  -2  -5  -5 2093.29  216.41
  -2   5  -5 2393.98  148.23
   1   2   6 5944.39  248.29
  -1   2  -6 7102.13  472.27
  -1  -2  -6 5894.81  246.81
   5  -2   0 6517.54  259.60
   5   2   0 5898.11  441.73
  -5  -2   0 6282.82  372.34
   4  -6   2 3568.66  147.78
  -4   6  -2 2838.25  224.02
  -4  -6  -2 2720.04  147.62
   4   6   2 3173.53  280.19
   5   2  -1  191.16   12.65
  -5  -2   1  226.71   15.65
  -5   2   1  230.76   26.99
  -2  11  -1 4565.45  180.20
   2  11   1 4738.85  201.18
   1   9   4   11.76    2.64
  -1   9  -4   13.55    2.45
  -1  12   0 1027.90   81.48
   1  12   0  963.24  125.10
   2   0  -6 7129.94  491.35
   4  -4   3  120.64   10.12
  -4   4  -3   86.33    7.50
  -4  -4  -3   84.48    6.69
   0  -4   610077.64  401.71
   0   4  -613127.19  514.80
   0  -4  -613105.28  768.97
   0   4   611709.22  458.96
   4  -3  -4 2359.90  215.37
   4   3  -4 1686.74  124.07
   2  -1  -6  779.49   81.03
   4   7  -2   17.36    2.94
  -1  -7  -5 4551.92  276.61
   3   4  -5  158.91   23.63
   3  -4  -5  179.20   16.78
   5   0   1   17.78    3.30
  -5   0  -1   17.38    3.26
   3   9   2  604.79   46.32
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  -3 -10   0 2003.17  145.89
   3  10   0 1797.76  148.64
   2  -8   4 9029.81  360.06
   2   8   4 9693.76  386.20
  -1   4   6 7766.32  312.07
  -5  -1  -1 5076.40  213.11
   5  -1   1 5624.05  230.35
  -5   1  -1 5110.70  280.32
   2  10  -3 1187.92   95.30
   1  12  -1  118.74    9.44
   5   0  -2 5323.74  415.43
   3   7  -4   10.92    2.07
   1   3   6  682.98   60.42
  -1  -3  -6  647.03   37.61
   1  -3   6  657.87   52.89
  -1   3  -6  712.76   36.25
   5   3   0  104.86    9.52
  -5  -3   0  107.33    9.73
   5  -3   0  124.90   12.22
  -5   3   0  104.86    7.80
   3  10  -1   33.77    4.89
   2  -2  -6 1066.17  106.15
   2   2  -6  992.68   62.08
   5  -1  -2  201.47   13.96
   5   1  -2  185.99   14.27
   5  -3  -1 1731.39  152.10
   5   3  -1 1445.61  130.46
  -5  -3   1 1593.44  101.17
   1  12   1  345.30   35.35
  -1 -12  -1  304.29   24.84
   4   6  -3  215.73   17.22
   3   0   5   37.52    6.79
   5   2   1   84.34    8.36
  -5  -2  -1   70.87    9.91
  -3  -8  -3   -8.47    7.94
  -3   8  -3    8.46    2.09
   3   8   3   20.07    4.17
  -3   6  -4 6333.07  256.93
  -3  -6  -4 5783.11  360.91
   3   6   4 6163.46  257.97
   3  -6   4 6756.58  272.49
   2  11  -2  295.91   21.75
  -3   1  -5 7938.88  322.26
   3   1   5 9324.66  374.64
   3  -1   5 9604.51  383.56
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   4   8   0 4177.44  378.53
   5  -2  -2 3401.72  287.69
   0   8   5  195.15   16.64
   0  -8  -5  137.94   14.77
  -4  -8   1  167.90   12.14
   4   8  -1  134.67   11.99
   3  10   1  285.14   20.39
   4   4  -4 2624.92  193.99
   1  11  -3 3798.28  298.33
   2  -9  -4  253.73   28.37
   2  -3  -6 1716.87  103.19
   2   3  -6 1572.11  100.99
  -2   3   6 1213.04  108.16
   0  12   2 4957.35  201.45
   0  12  -2 4370.12  185.37
   0 -12  -2 4624.86  250.59
   2  -7  -5 5187.67  209.76
   2   7  -5 5329.16  433.79
  -2   7   5 4592.18  187.62
   4   5   3 2928.98  276.07
   4  -5   3 3205.05  285.09
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  -2   6  -5   15.90    5.01
   2   6   5   10.42    3.41
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   3   2   5  831.85   68.07
   0  -5  -6   69.59    7.71
   0   5   6   56.95   10.78
   0  -5   6   70.51    7.58
   0   5  -6   64.98    8.52
   0  10  -4 1627.98  103.48
  -1   8   5   29.28    3.91
   1  -8  -5   26.18    3.61
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   1   4   6 1740.87  139.45
  -5  -4   0  164.77   12.27
  -5   4   0  189.36   16.41
   5  -4   0  195.70   18.56
   5   4   0  177.84   13.72
   3   5  -5  321.41   26.72
   3  -5  -5  355.19   29.31
   5  -3   1 2272.13  214.67
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   2  10   3  141.47   13.38
  -2 -10  -3  104.00   10.44
   3   9  -3 3106.64  231.53
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   5   4  -1    0.71    2.85
   1   5  -6    1.95    4.19
   1  -5  -6    9.89    5.27
  -1   5   6    7.98    3.23
  -2 -11  -2   75.48    5.68
  -4   7  -2   86.79    8.38
   4   7   2   96.08    9.04
   5  -3  -2 1571.13  134.77
  -1 -11  -3 5387.17  273.25
  -1  11  -3 6289.53  256.32
   4   8   1   -0.99    3.75
  -4  -8  -1   -0.73    7.34
  -4   0  -4  711.90   41.89
   1 -10  -4 4571.81  352.37
   1  10  -4 5385.82  327.38
   3  10  -2  871.63   71.00
   1  12  -2 3348.49  261.31
   1 -12  -2 3355.30  137.56
  -4  -1  -4  243.12   17.12
   3  -3   5 5976.30  451.44
  -3  -3  -5 4757.77  247.44
   3   3   5 5945.07  465.40
  -3   3  -5 5308.25  306.91
   2   0   610374.89  414.22
  -2   0  -610898.72  616.99
   2  -4  -6 4736.86  199.95
   2   4  -6 4706.21  322.01
   1  12   210181.55  421.07
  -1  12  -2 9296.66  367.09
  -1 -12  -210221.72  610.53
  -5   0  -2 5126.65  287.40
   5   0   2 5646.51  234.89
   4   8  -2 1701.79  160.58
   1   8   5   64.04    6.93
  -1   8  -5   78.94    8.94
  -2   1  -6   52.44   10.61
   2  -1   6   68.85   13.37
  -2  -1  -6   75.98   17.80
   4   5  -4  752.00   48.33
   4  -5  -4 1234.00  112.95
   4  -2   4 5558.65  409.13
   4   2   4 5496.28  432.88
  -4   2  -4 4429.29  266.00
  -4  -2  -4 4434.45  293.64
  -2 -12   0 3773.87  262.41
   2  12   0 3114.44  309.38
  -5  -1  -2   60.37   14.76
   5   1   2   62.24    7.42
   4   7  -3 1451.51  113.94
  -5  -4  -1    1.00    2.33
   5   4   1    4.66    3.87
   5  -4   1    3.72    2.43
   3   8  -4 6794.56  402.92
  -1 -10  -4 1219.13   69.71
   1  10   4 1478.68  108.36
  -1  10  -4 1644.56   98.27
   5   0  -3    7.78    2.24
   3   7   4  321.19   25.30
  -3  -7  -4  282.51   22.88
   3  -7   4  320.14   30.34
  -3   7  -4  295.52   23.09
   5  -4  -2 2929.62  123.06
   0  13   0   -0.10    2.48
   2   9   4    6.14    4.03
  -2  -9  -4   17.36    3.38
   5   1  -3 2354.78  138.20
   5  -1  -3 2827.91  205.88
  -1  -5  -6    3.76    5.96
   1  -5   6    6.31    3.10
   2  12  -1  660.18   51.48
   5  -5   0  216.07   21.83
   5   5   0  156.31   11.18
  -5   5   0  166.82   16.55
  -5  -5   0  179.93   11.25
  -2   2  -6 5375.40  365.53
  -2  -2  -6 4874.39  211.53
   2  -2   6 5751.79  439.63
  -5  -5   1 1914.65  116.17
   5   5  -1 1654.94  123.19
  -4  -6  -3  732.95   39.97
  -4   6  -3  736.85   76.33
   4   6   3  882.70   64.05
   5  -2   2 7874.48  314.87
  -5   2  -2 6410.02  368.90
  -5  -2  -2 6894.97  391.33
   5   2   2 7386.37  301.55
   0   6  -6 7164.87  435.63
   0  -6  -6 6089.30  359.19
   0   6   6 6639.06  490.87
  -3 -10  -2 3721.45  182.16
  -3  10  -2 3566.86  144.99
  -3  -4  -5  402.23   26.30
   3   4   5  443.72   30.06
  -3   4  -5  432.66   26.81
   3  -4   5  489.26   35.27
   3   6  -5  187.21   16.03
  -4   3  -4 1469.41   98.00
  -4  -3  -4 1288.77  125.34
   4  -3   4 1807.10  112.99
   4   3   4 1791.48  149.08
  -2 -12  -1    7.95    1.85
  -2  12  -1   12.08    1.77
  -2   7  -5 3621.71  206.54
  -2  -7  -5 2872.03  162.09
   2   7   5 3439.03  301.86
   5  -2  -3  311.06   12.77
   5   2  -3  287.66   18.06
   1  -6  -6 5325.60  221.82
   1   6  -6 5599.37  238.52
  -3  -9  -3 9058.21  423.64
   3   9   3 9179.57  370.55
   0  13   1 2275.26  102.71
   0  13  -1 1920.07  187.46
   3  11   0  686.87   39.50
  -3 -11   0  763.41   56.51
   4   9   0  202.31   11.96
  -4  -9   0  207.50   16.56
   4   1  -5 3837.55  242.41
   2  11  -3 4844.29  347.35
   2  -8  -5  672.44   69.55
   2   8  -5  671.22   52.28
   0   9  -5  801.20   41.18
   4   9  -1 1487.51  152.57
   2   3   6 1494.66  136.03
  -2   3  -6 1326.35   87.90
  -2  -3  -6 1251.00  123.19
   2  -3   6 1292.75  102.85
   1  13   0   34.59    4.29
  -1  13   0   37.09    4.61
   2  -5  -6  118.91   10.26
   2   5  -6   78.20   14.13
  -5   3  -2  749.94   37.76
   5  -3   2  875.11   71.54
   3  -1  -6 2888.36  183.42
   3   1  -6 2813.18  261.73
  -5  -5  -1 2191.12   93.06
   5  -5   1 2860.24   62.46
   5   5   1 2410.16  155.51
  -4  -8  -2 5720.97  154.87
   4   8   2 5870.53  124.80
   4   2  -5 2533.29  181.64
  -1   9   5 1292.63  106.20
   1  -9  -5 1113.13   83.97
   1   9  -5 1355.98   67.29
   5  -3  -3 8113.26  369.19
   5   3  -3 7484.73  462.66
   0  12   3  648.70   54.46
   2 -10  -4 8967.84   96.75
   4   6  -4 6871.59  359.51
   1  13  -1 1366.26  101.58
  -1  13   1 1705.71  116.13
   3  11   1 2294.46  172.66
  -3 -11  -1 2142.21   94.16
   3   2  -6 5250.77  280.85
   4  -4   4 6882.19  428.16
  -4  -4  -4 5453.65  274.46
  -4   4  -4 5492.55  267.15
   4   4   4 5702.67  158.85
  -1  13  -1 7027.63  282.69
  -1 -13  -1 7197.33  120.00
   2  12  -2  776.64   57.80
   3  10  -3  205.93   16.90
  -4  -9  -1 4359.86  178.06
   4   9   1 4744.18  413.94
   1  -6   6 1671.28  118.51
  -1   6  -6 2130.11  149.42
   1   6   6 1932.37  130.61
  -1  -6  -6 1732.18   75.34
  -3   5  -5 3351.02  307.42
   3  -5   5 3481.30  259.95
  -3  -5  -5 2820.23  237.73
  -5  -6   0  753.93   51.43
   0  11   4   53.75    5.73
   0 -11  -4   52.25    5.37
   0  11  -4   50.40    5.62
   5   6  -1   50.71    4.71
  -5  -6   1   46.35    5.65
  -1  12   3  744.63   71.31
   1 -12  -3  396.94   50.83
   1  12  -3  552.83   44.42
   2   4   6  808.55   54.43
  -2   4  -6  702.54   69.65
  -2  -4  -6  622.53   39.21
   2  11   3 4492.16  335.65
  -2 -11  -3 4173.13  158.53
   5  -4   2 2647.42  211.46
   5   4   2 2224.06  178.71
  -5   4  -2 2162.32   96.33
  -5  -4  -2 2086.99   94.46
   4   8  -3  842.17   64.18
  -4  -7  -3 2763.18  137.81
   4   7   3 3138.01  205.26
  -4   7  -3 2729.83  213.74
   4   9  -2  227.91   17.67
   0   0  -7   34.26    5.44
   0   0   7   29.28    5.61
   1   9   5 3243.06  204.54
  -1   9  -5 3729.14  156.82
  -1  -9  -5 2850.12   81.33
   0   7   6  213.35   17.35
   0  -7  -6  173.96   15.43
   3   3  -6 2844.02  112.30
   3  -3  -6 3093.92  290.90
   3   8   4 3620.91  240.73
  -3  -8  -4 2913.85  140.87
  -3   8  -4 3351.80  250.50
   0 -13  -2   16.17    2.68
   0  13  -2   12.10    1.93
   0  13   2   10.63    1.98
  -1  11   4 1259.39  111.96
   3  11  -2  744.28   60.88
   0  -1  -7 6122.71  128.85
   0  -1   7 5066.27  118.01
   0   1  -7 6080.52  131.80
   0   1   7 5993.31  451.99
   5   4  -3  214.75   15.45
  -1   0   7    6.44    2.37
   1   0  -7   11.68    5.67
  -2 -12  -2 2471.52  133.10
   3   9  -4   55.35    6.04
  -1   1   7 1112.87   81.84
   1  12   3    2.35    2.91
  -1 -12  -3    4.47    3.07
   1   7  -6  -10.38    5.95
  -1   7   6    2.83    3.67
   2  -6  -6 5044.79  266.92
  -2   6   6 4003.72   87.22
   2   6  -6 5046.51  315.22
   2  -8   5  442.30   38.15
  -2   8  -5  530.20   25.86
   2   8   5  479.03   30.08
  -2  -8  -5  412.04   30.10
   0  -2  -7 1056.07   91.81
   0   2   7 1061.89   67.12
   0   2  -7 1126.57  123.99
  -5  -6  -1   46.19    7.74
   5   6   1   59.78    7.51
   4   5   4  635.29   44.53
   4  -5   4  672.35   51.50
  -4   5  -4  531.57   71.23
  -4  -5  -4  521.41   34.16
   5   0   3   11.99    4.05
  -2 -10  -4 3308.84  162.17
   2  10   4 3713.28  289.01
  -1  -2   7  610.29   32.38
  -1   2   7  688.54   56.38
   1  -2  -7  751.12   40.92
   5  -6  -2 4392.12   60.30
   5   6  -2 3580.92  282.29
   5   1   3 2255.36  160.79
  -5  -1  -3 1845.44   72.06
  -5   1  -3 1818.76   88.19
   5  -1   3 2336.65  164.78
  -1 -11  -4 1681.56   76.61
   1  11   4 1892.58  187.42
   2   5   6  242.00   19.24
  -2   5  -6  232.50   23.10
  -2  -5  -6  170.04   17.82
   4   7  -4  753.00   45.05
   2   9  -5 2601.59  225.83
   2  -9  -5 2483.14  207.82
   1  13   2  364.87   44.34
  -1  13  -2  310.63   33.71
   5   0  -4  433.15   29.12
  -3   6  -5 1175.33  113.78
  -3  -6  -5  957.87   59.39
   3   6   5 1245.82   88.69
   3  -6   5 1165.51   80.11
  -3 -10  -3 2923.10  166.09
   3  10   3 3233.77  221.56
  -3 -11  -2  788.52   47.71
   2  13   0   99.03   10.53
  -5  -2  -3  293.06   20.71
  -5   2  -3  287.24   18.82
   5  -1  -4    7.69    3.40
   5   1  -4    8.46    2.43
   0  -3  -7 2095.73  221.58
   0   3  -7 2030.84  122.28
   4  10   0 5185.37  310.90
  -4 -10   0 5262.52  276.27
   5   5  -3 4889.64  286.37
   1  -7   6  421.44   32.47
  -1  -7  -6  407.48   29.28
   1   7   6  487.57   35.57
   1   3  -7 4969.83  118.36
   0  10   5  822.83   62.28
   0 -10  -5  688.43   32.09
   0  10  -5  931.68   48.92
  -5  -7   0  763.23   54.56
   5   7   0  721.69   35.96
  -5   7   0  620.11   85.09
   4  10  -1  253.59   18.25
  -4  -9  -2  415.75   37.36
   5   7  -1 2288.85  157.48
  -5  -7   1 2684.80  174.29
   2  13  -1 4844.45  109.38
  -1  -1  -712771.83  602.35
   1   1   712003.48  182.37
   1  10  -5  213.98   11.61
   0  14   0   27.41    4.38
   3  12   0 3129.09  271.77
  -3 -12   0 3752.85  156.45
   2  12  -3  104.94    8.23
   2   0  -7   15.70    3.11
   5   3   3 5585.13  373.65
  -5   3  -3 4906.09  244.47
   5  -3   3 5713.70  400.41
  -5  -3  -3 4241.91  107.62
   2  13   1 5157.77  382.77
  -2  13  -1 4717.51   71.50
  -2 -13  -1 4943.37  249.86
  -1  -2  -7  199.79   34.17
   1  -2   7  148.01   11.16
  -1   2  -7  153.53   16.63
   3  12  -1  142.50   10.92
   4   5  -5 2914.94  168.18
  -4  -8  -3  553.58   46.39
   4   8   3  681.95   44.90
   2  -1  -7 3417.85   93.62
   2   1  -7 3596.29  293.26
  -3   0  -6 1337.64   74.56
   0   8  -6 2623.09  150.05
   0  -8  -6 2130.07   87.62
   2 -11  -4  434.92   43.70
   2  11  -4  434.24   31.68
   2  -7  -6 2071.00  217.04
  -4 -10  -1  516.14   36.62
   4  10   1  520.45   30.34
   4   6   4 2665.74  205.75
   4  -6   4 2731.70  207.52
  -4  -6  -4 2054.10   74.65
   0  -4  -7   10.81    4.61
   4   9  -3  804.89   58.41
   4   0   5   10.52    4.90
  -4   0  -5   29.67    6.02
  -3  -1  -6  275.98   16.82
  -3   1  -6  277.73   22.11
   3   1   6  362.06   26.06
   0  14  -1    6.10    1.63
   3  -5  -6  417.32   29.15
   5   3  -4  458.45   24.16
   4   1   5 4341.59  269.82
  -4   1  -5 3417.49  318.43
   1   4  -7  860.34   83.32
   1  -4  -7  766.43   62.65
   1  -8  -6 3113.84  198.04
   1   8  -6 3565.95  185.37
   5   7   1 3922.00  370.69
  -5  -7  -1 4071.88  244.30
   3  -9   4 1106.33  107.43
  -3  -9  -4 1042.21   59.75
  -3   9  -4 1219.85   63.83
   3   9   4 1211.96   70.63
   2   6   6 2236.99  148.74
  -2   6  -6 2245.52  115.82
   3  12   1  102.49    9.66
  -3 -12  -1   75.52    7.90
   1  14   0 1595.06  149.41
  -1  14   0 1795.83   48.82
   5   7  -2    7.43    4.76
  -5   6  -2 2340.34  114.31
  -5  -6  -2 2140.77  135.88
   5  -6   2 2925.58   67.76
   5   6   2 2319.87  180.80
   4  10  -2  413.12   32.30
  -1 -10  -5  401.82   23.94
   1  10   5  440.94   29.61
  -1  10  -5  508.39   32.02
   3  -2   6 4106.32  225.48
   3   2   6 4320.27  269.80
  -3  -2  -6 3652.61  150.34
   0  13   3 3550.69   79.54
   0  13  -3 2874.29  191.23
   0 -13  -3 3141.12  136.46
  -1   3  -7 1513.30  100.95
   1   3   7 1448.94   81.88
  -1  -3  -7 1284.05   56.34
  -4   2  -5 2466.79  196.01
   4   2   5 3023.95  214.77
   0 -12  -4 3191.85  149.68
   0  12  -4 3963.24  185.25
   3  10  -4 3397.04  235.93
  -5   4  -3   57.90    7.36
   5  -4   3   81.59    7.21
  -5  -4  -3   56.43    8.18
   2   9   5 6149.68  451.74
  -2  -9  -5 5141.41  277.25
   5   6  -3 1084.50   94.61
   2  13  -2   14.99    2.95
  -3   7  -5 2203.76  131.11
   3   7   5 2491.85  126.82
  -3  -7  -5 2073.98   77.41
  -2 -12  -3  161.68   13.58
   2  12   3  196.87   14.20
   1  14  -1  284.29   20.33
   4   8  -4 2236.58  127.90
   4  -8  -4 2488.51   42.72
   2   3  -7 9724.10  524.54
   2  -3  -710464.51  612.19
  -1 -14  -1   82.06    6.46
  -1  14  -1   74.86    7.02
   1  14   1   76.96    7.06
   1 -13  -3 2475.86  154.01
   1  13  -3 2173.01  117.45
   1 -12  -4 3658.16  213.57
   3  12  -2 1110.11   72.26
   5  -4  -4 4827.02   87.70
   5  -4  -4 3785.01   78.47
   5   4  -4 3877.81  215.91
  -3  -3  -6   33.63    6.16
   3   3   6   30.15    4.76
   6   0  -1    9.74    2.80
  -6   0   1   17.79    4.27
  -6   0   0 4691.79  215.32
   0   5   7 2931.44  199.10
   0  -5   7 2663.85  182.06
   0   5  -7 3479.57  370.02
   0  -5  -7 3132.20  140.16
   4   3   5 6140.19  437.15
  -4   3  -5 5300.43  271.50
  -4  -3  -5 5248.61  218.15
   4  -3   5 7025.89  384.73
  -1  -8  -6 5395.48  159.21
   1   8   6 6483.56  423.18
  -5  -8   011089.36  557.62
   4   6  -5  449.08   27.41
  -6   1   1 2897.37  122.33
  -6  -1   1 2644.51  142.44
   6  -1  -1 2586.19  191.52
   5   8  -1   37.89    5.72
   6   1   0  169.06   13.08
  -6   1   0  172.56   11.01
  -6  -1   0  172.95   15.17
  -2  11  -4 1824.81  110.99
  -2 -11  -4 1451.86   76.56
  -1   5   7 4116.98  353.66
   1   4   7   71.47    7.99
   1  -4   7   51.38    5.80
  -1  -4  -7   48.46    6.77
  -1   4  -7   47.50    7.33
  -2  13  -2  263.95   32.02
   2 -10  -5  159.95   23.42
   1  13   3 5080.36  398.17
  -1 -13  -3 4694.72  235.55
   3  -6  -6 3109.51   75.65
   3   6  -6 2826.79  228.16
   0  14   2 6305.33  105.27
   0 -14  -2 5675.24  318.14
   0  14  -2 5251.06  371.16
   4   0  -6 5046.65  110.96
   4   7   4  365.35   25.03
   4  -7   4  361.52   31.34
  -4  -7  -4  295.84   23.39
   6  -2  -1   38.22    4.81
   6   2  -1   29.13    4.06
  -6  -2   1   31.01    4.12
  -6  -2   0 3145.40  158.39
   6   2   0 3157.11  230.47
  -6   2   0 3423.67  140.35
  -1 -12  -4 1780.23   60.66
   4   1  -6  449.72   25.38
   4  -1  -6  462.04   30.35
   3  11   311380.81  178.09
  -3 -11  -311151.07  486.89
   4  10   2 5945.48  406.28
  -4  10  -2 5659.47   79.83
  -4 -10  -2 5699.16  254.95
   2  -4  -7  514.82   56.00
   2   4  -7  528.21   34.51
  -5  -5  -3 5066.15  187.71
   5   5   3 5821.56  418.20
  -5   5  -3 5569.55  227.92
   4  11   0  658.55   43.84
  -4 -11   0  752.93   40.02
   2   8  -6 1120.90   74.48
   0 -11  -5  811.45   63.54
   0  11   5 1003.36   73.80
   3   4   6 4776.71  285.28
  -3   4  -6 4199.57  115.57
  -3  -4  -6 3889.03  189.27
   4  11  -1 7217.04  145.87
  -2  -7  -6  408.61   27.89
   2  -7   6  497.14   43.19
   2   7   6  522.59   31.92
  -2   7  -6  567.19   30.36
  -3 -12  -2 1346.62   61.87
  -3  12  -2 1583.62   42.16
  -4  -9  -3 6763.54  250.10
  -4   9  -3 7388.05  112.05
   4   9   3 7354.43  148.54
  -5  -7  -2  693.60   49.60
   5   7   2  697.99   30.54
   6   0  -2 6352.49  344.33
  -4  -4  -5   68.06    8.12
  -4   4  -5   80.94    7.86
   4  -4   5  103.13    9.36
   4  -2  -6 4318.78  286.82
   1  14  -2  644.06   40.68
  -1  14   2  712.85   87.01
   0   9  -6  310.05   20.82
   0   9   6  304.05   22.72
  -5  -8  -1   24.44    5.05
   5   8   1   26.01    3.94
  -2   0  -7   15.65    9.89
   6   0   1    2.94    2.60
  -6   0  -1    5.81    4.35
   5   5  -4   10.88    2.41
   6   1  -2 1023.50   65.10
   6  -1  -2 1054.06  137.02
  -2  -1  -7 6184.82  300.52
   2   1   7 6857.44  358.82
  -2   1  -7 6052.96  389.26
  -6   1  -1 1217.85   44.28
  -6  -1  -1 1210.39   46.34
   6   1   1 1436.22  111.80
   6  -1   1 1370.20   90.20
  -1  11   5  821.41  110.85
   1 -11  -5  673.36   45.34
  -6  -3   1 1406.52   78.35
   6  -3  -1 1398.36  127.54
   6  -3   0    0.61    2.05
  -6  -3   0   17.90    5.59
  -6   3   0    0.97    1.68
   5   7  -3 1324.76   99.04
  -1   9   6  155.37   14.74
   1  -9  -6  140.85   12.27
   1   9  -6  184.36   12.28
  -5   0  -4  178.49   11.88
   5   0   4  229.71   16.89
   1  14   2 7252.82  132.85
  -1  14  -2 8135.11  121.58
  -1  14  -2 6656.05  118.01
  -1 -14  -2 7254.62  372.07
   4  10  -3   -0.21    2.40
   5  -1   4  666.59   39.74
  -5   1  -4  533.00   70.46
   5   1   4  694.00   48.82
  -1   5  -7  180.07   13.79
   1   5   7  152.54   19.95
   1  -5   7  134.07   11.71
  -1  -5  -7  148.63   11.81
   2  14   0 4026.89  287.55
   6   2  -2 5205.57  308.79
   6  -2  -2 6283.62  404.54
   0   6  -7 1706.73  105.92
   0   6   7 1462.05   73.71
  -3  -8  -5 1189.43   70.41
   3   8   5 1471.19   83.10
  -3   8  -5 1300.19  121.93
  -2   2  -7  106.44   11.39
   2   2   7  114.16    8.29
   2  -2   7   98.95    8.49
  -3 -10  -4 5322.12  183.34
  -3  10  -4 6180.60  109.65
   3  10   4 5585.86  488.79
   4  11   1 3607.06  332.73
  -6   2  -1  283.43   23.96
  -6  -2  -1  265.83   21.95
   6  -2   1  304.99   22.73
   6   2   1  310.06   20.15
   4   3  -6 1022.38   70.11
   1  -6  -7 4541.43  106.37
   3  13   0  239.40   14.64
  -3 -13   0  240.72   18.98
   3   0  -7   26.10    9.54
   2  14  -1  757.96   44.00
   5   0  -5    3.45    2.43
   5   0  -5    3.46    2.67
   5  -2   4 1397.35  156.72
   5   2   4 1326.35   82.36
  -5  -2  -4 1099.86   46.59
  -5   2  -4 1059.01   63.99
   2  12  -4 1698.79  101.14
   4   7  -5 3431.28  198.80
   2  13  -3 1292.62   72.49
  -2   5   7 5020.10  294.43
   2   5  -7 6229.52  299.08
   5   1  -5  416.26   17.55
   5  -1  -5  554.60   53.61
   5  -1  -5  400.11   30.12
   4   9  -4  307.96   18.66
   3  13  -1 5423.27  405.39
   4  11  -2   85.08    8.42
  -2  10  -5  712.49   91.40
  -2 -10  -5  544.48   75.99
   2  10   5  632.37   35.55
  -3   5  -6 1011.80   79.10
   3   5   6 1181.97   69.93
  -3  -5  -6  915.15   40.04
   3  -5   6 1047.34   64.16
   3  12  -3  131.59   12.40
   3   7  -6    9.31    7.24
   3  -7  -6   14.02    2.25
   6   4  -1  404.25   28.73
  -6  -4   1  454.37   24.56
  -5  -6  -3   22.63    4.01
   5   6   3   29.32    5.34
  -5   6  -3   24.73    3.17
   5  -6   3   40.26    5.00
  -2  14  -1  251.24   17.53
   2  14   1  309.10   22.60
  -2 -14  -1  309.29   19.88
  -6  -4   0  855.38   37.54
   6   4   0  972.01   53.13
  -6   4   0  859.39   47.27
   6  -3  -2   39.33    5.14
   6   3  -2   29.77    5.41
  -4   5  -5 6044.57  235.13
  -4  -5  -5 5467.26  224.01
   4  -5   5 6653.21  327.80
   4   5   5 6456.47  409.52
   2   3   7 1357.74   70.50
  -2   3  -7 1218.62   82.15
  -6   3  -1 3867.65  151.07
  -6  -3  -1 3701.96  153.16
   3  11  -4   40.82    5.31
   0  15   0   -0.62    3.33
   1   9   6   72.32    6.90
  -1   9  -6   94.95    9.92
  -1  -9  -6   60.59    8.77
   5  -2  -5 1383.71   94.88
   5   2  -5 1297.62   69.25
  -5  -9   0  683.48   50.12
   5   9  -1 5500.19  489.50
   5  -3   4    8.48    6.85
   5   3   4    7.04    4.73
  -5  -3  -4    7.68    3.34
  -5   3  -4   -3.59    5.25
  -3 -13  -1 5410.62  224.03
   3  13   1 5286.78  274.90
   4   8   4 5872.15  482.34
  -4   8  -4 5393.12  424.19
  -4  -8  -4 5551.97  215.74
   5  -6  -4 1876.54  173.92
   5   6  -4 2089.54  118.07
   5  -6  -4 3271.60   62.16
   4  -4  -6 2332.96  175.03
   0  15   1 1409.05  155.37
   0  13   4   59.24    6.83
   0 -13  -4   55.42    4.81
   0 -14  -3  485.35   25.85
   0  14  -3  439.09   26.59
   0  14   3  502.55   50.49
   1  -6   7   16.91    3.61
  -1  -6  -7   12.68    5.04
  -1   6  -7   11.19    6.59
   1   6   7   11.95    4.91
  -2  -8  -6 6536.84  559.15
  -2   8  -6 8435.62  482.21
   2  13   3 3485.39  234.72
  -2 -13  -3 3487.56  252.72
  -2  13  -3 4389.05   87.57
   6   0  -3    6.17    4.49
  -5  -8  -2 3580.76  152.75
   5   8   2 3435.22  278.80
   3  -3  -7 3165.77  188.75
   3   3  -7 2998.94  136.02
   5   3  -5 2817.19  148.67
   5  -3  -5 2954.48  234.67
   5  -3  -5 3758.55  347.51
  -1  15   0   70.80   11.37
   1  15   0   75.62    7.01
   2   9  -6  826.16   54.52
   6   1  -3 3162.51  172.13
   2 -11  -5 4159.33   78.01
  -6   0  -2  527.25   28.57
   6   0   2  621.66   87.61
   6   4  -2 1016.66   71.88
   6  -4  -2  973.14  108.50
   2  14  -2 1747.28  103.88
   2   4   7   -2.60    6.45
  -2  -4  -7    6.13    6.77
  -2   4  -7    1.76    5.32
   6  -4   1  177.58   18.69
  -6   4  -1  169.56    9.96
  -6  -4  -1  139.77   10.95
   1  13  -4  358.57   22.42
   1 -13  -4  377.06   43.43
   3  13  -2  280.93   22.64
  -6   1  -2  529.85   28.31
   6  -1   2  615.26   46.42
   6   1   2  586.58   38.85
   0   7  -7 4430.22  231.26
   0   7   7 3639.49  223.99
   0  -7  -7 3927.46  254.54
   2  12   4  905.26   51.49
  -2 -12  -4  888.79   49.13
  -2  12  -4 1064.96   99.04
   5   8  -3  392.09   46.30
   5   9   1 3470.87  204.09
  -5  -9  -1 3911.41  180.83
  -6  -5   1  174.89   17.96
   6   5  -1  150.24   10.80
   2   6  -7  217.90   21.40
   2  -6  -7  209.77   20.49
   6   5   0   29.63    4.77
  -6   5   0   29.83    3.43
  -6  -5   0   28.77    5.32
   1  -7  -7 4664.61  187.99
   1  14  -3   80.92    7.77
  -5  -4  -4 3805.79  198.14
   5   4   4 4843.01  376.63
   5  -4   4 4887.50  343.60
  -5   4  -4 3696.04  261.44
   4  11   2  248.29   14.48
  -4 -11  -2  207.72   18.24
   1  15  -1 1441.57   96.49
   5   9  -2    5.50    3.13
   6  -2  -3 1030.16   72.43
  -4 -10  -3  215.02   21.21
   4  10   3  244.91   16.70
   3   6   6 2140.47  113.71
  -3   6  -6 2098.51  212.44
  -3  -6  -6 1774.41   68.98
   0 -10  -6 3101.67  169.65
  -6  -2  -2 1805.58   68.37
   6   2   2 2086.39  126.13
   6  -2   2 2376.62  165.04
  -6   2  -2 1676.77   67.21
   1  15   1 1550.26  189.44
   4   6   5   58.05    7.90
   4  -6   5   70.11    9.39
   3  10  -5  332.86   22.52
  -3 -12  -3  126.88   10.81
   3  12   3  142.19   12.74
   4   5  -6  311.47   18.95
   4  -5  -6  333.21   48.45
   1  10  -6 2629.30  121.49
   3   9   5 3045.00  222.63
  -3  -9  -5 2512.49   67.43
  -4 -12   0 3018.15  149.86
   4  12   0 2733.17  168.35
   2  14   2 4611.93  292.63
  -2  14  -2 4164.00   87.83
   4  -8  -5  259.22   34.87
   4   8  -5  196.01   16.93
   5  -7   3 5299.70  100.92
  -5  -7  -3 4019.47  185.88
  -5   7  -3 4020.13   87.93
   5   7   3 4694.38  371.74
  -1 -13  -4  414.67   27.18
  -1  13  -4  439.75   36.20
  -1 -14  -3  333.58   21.55
   1  14   3  317.38   28.80
  -1  14  -3  291.91   18.48
   3   4  -7  303.28   32.70
   3  -4  -7  321.92   24.17
   0 -12  -5    3.48    2.30
   0  12  -5    3.50    4.20
   5  -4  -5  171.96   15.65
   5   4  -5  178.52   10.79
   4  12  -1  151.69   13.71
   6  -3  -3 2191.18  157.56
   6   3  -3 1911.66  105.18
   4  11  -3  570.09   33.18
  -1   0   8 5791.69  322.09
   0  15  -2  444.71   28.89
   0 -15  -2  478.64   23.86
  -1  12   5  170.10   15.75
   1 -12  -5  171.56   12.47
   6  -3   2 1055.64   79.99
  -6  -3  -2  829.69   44.86
   6   3   2  988.70   59.18
   5   7  -4   -3.76    5.21
   5  -7  -4    2.96    1.61
   6   5  -2   13.90    2.64
   0  -1   8   36.99    6.54
   0   1  -8   42.30    9.62
   2   5   7 1354.42   77.63
  -2  -5  -7 1130.20   75.40
  -3  11  -4  300.05   26.24
  -3 -11  -4  298.98   26.35
  -1  -1   8  139.26   10.45
   1   1  -8  162.01   13.69
   1  -1  -8  188.15   16.02
  -6   5  -1 8206.02  454.33
   6  -5   111119.17 1329.64
   6   5   1 9223.15 1198.33
  -6  -5  -1 7678.99  582.80
   4  10  -4 1600.58  103.31
  -5   5  -4   71.16    7.28
   5  -5   4   88.78    6.93
  -5  -5  -4   52.84    8.05
   1  -7   7 3535.51  247.72
  -1  -7  -7 3523.06  182.18
  -1   7  -7 4757.68  288.61
   1   7   7 4193.46  270.71
   4  12   1   89.17    8.44
  -4 -12  -1   85.41   10.94
  -4   0  -6 1225.21  124.30
   4   0   6 1534.13   82.69
   0   2  -8 5286.00  229.97
   1  -2  -8 3422.23  262.21
   1   2  -8 3692.64  295.16
  -4  -9  -4 1238.89  150.77
  -4   9  -4 1188.21  102.34
   6  -6  -1    7.36    1.67
   6   6  -1    3.19    4.53
  -6  -6   1   10.55    4.45
  -4  -1  -6   24.20    4.70
  -4   1  -6   10.69    2.98
   4  -1   6   15.59    3.71
  -6   6   0 2506.51   57.86
  -6  -6   0 2582.63  115.49
   6   6   0 2400.85  190.31
   6  -6   0 3318.16   66.02
   2  11   5 4171.86  271.19
  -1 -10  -6 6075.93  225.52
  -1  10  -6 8137.98  404.59
   1  10   6 7581.59  467.21
   1  15  -2   67.63    6.23
  -5 -10   0 4582.60  175.29
   5  10  -1    7.43    4.89
   6  -4  -3   29.86    3.32
   6   4  -3   29.83    4.12
   2   7  -7 2882.91  154.98
   2  -7  -7 2580.86  315.96
   4  12  -2 2927.94  216.17
   3  -5  -7 1622.06  128.50
   3   5  -7 1566.63   72.83
   5   5  -5 3404.59  155.28
  -1 -12  -5   14.95    2.73
   1  12   5   12.32    3.96
  -1  12  -5   12.39    3.81
   2  13  -4   14.37    3.61
   2   9   6  332.08   22.66
  -2   9  -6  351.48   20.34
  -2  -9  -6  243.00   20.88
   4  -2   6 2799.65  136.22
  -4   2  -6 2347.80  138.91
   4   2   6 2664.34  146.80
  -4  -2  -6 2195.25  137.03
  -1  15  -2  166.90   16.49
  -1 -15  -2  165.83   18.02
   6  -4   2 5822.11  115.79
   6   4   2 5185.92  326.42
  -6  -4  -2 4541.35  180.78
  -5  -9  -2   26.65    4.50
   0   8  -7  626.90   41.16
   0   8   7  484.62   24.92
   0  -8  -7  474.47   35.28
   4   6  -6 2575.96  143.64
  -3  -7  -6  767.69   51.57
  -3   7  -6  915.57   74.49
   3   7   6 1023.00   65.84
   3  12  -4  211.63   13.89
   2  15   0  436.60   29.29
  -4   7  -5 4708.52  355.18
   4   7   5 4898.49  288.65
   4  -7   5 4703.65  329.62
   0   3   8  783.48   61.18
   0   3  -8  877.21   73.29
   0  -3   8  774.18   48.87
   1  -8  -7 1118.41   70.50
  -1   8   7 1055.32   83.97
   3  13  -3  955.76   65.45
   1   3  -8  484.09   38.06
   3   0   7   -3.81    5.94
  -3   0  -7   11.46    3.69
   5   9  -3  217.08   15.70
   3  14  -1   28.57    4.88
   2 -10  -6 3717.42  338.70
   2  10  -6 4724.25  213.69
  -3  -1  -7 1061.82   48.58
   3   1   7 1184.88   65.95
  -3   1  -7 1062.28   67.59
   3  -1   7 1074.71   75.28
  -1   0  -8 4475.38  323.69
   2  15  -1 1565.18  117.57
   6   6  -2  612.70   84.46
  -1  -1  -8  593.40   80.99
  -1   1  -8  565.38   81.48
   5  10   1  198.21   26.04
  -2   6  -7    2.49    8.66
  -2  -6  -7   18.76    4.37
   2  -6   7   13.43    5.31
   6   6   1   -5.35    6.56
   6  -6   1    7.89    2.38
  -6   6  -1    5.97    1.66
  -4  -3  -6  188.57   31.22
   4   3   6  229.91   30.54
   4  -3   6  216.57   29.45
  -4   3  -6  191.68   29.13
   5  -8   3   41.78    7.28
  -5   8  -3   32.94    6.69
   5   8   3   42.77    8.41
   6   0  -4 3355.67  149.54
   2   1  -8  427.30   69.69
   5  10  -2 1684.92  123.27
  -2 -15  -1 2445.95  106.28
   2  15   1 2391.38  162.59
   6  -1  -4  316.34   44.53
   6   1  -4  321.15   40.54
   3   2   7   36.52    6.97
  -3   2  -7   26.49    5.36
  -3  -2  -7   38.05    7.83
  -5  -6  -4 4329.28  159.45
  -5   6  -4 4171.14  340.07
   3  14   1  345.67   46.24
  -3 -14  -1  357.03   51.45
   6   0   3    7.10    4.15
  -6   0  -3   15.94    5.48
   4   9  -5 1686.96   92.21
   2  12  -5  684.12   92.28
  -1  -2  -8 3270.77  365.08
   1   2   8 3104.06  188.79
   5   0   5    6.67    5.00
  -5   0  -5    5.26    3.48
  -6  -1  -3 1051.44  112.08
   6  -1   3 1419.50   84.65
   6   1   3 1425.24   65.74
  -6   1  -3 1253.88   55.12
   6   5  -3 3272.02  232.81
   4  11   3 3737.18  293.15
  -4 -11  -3 3580.36  123.90
   5   8  -4 2717.16  159.04
   0  -4   8 1606.78  108.07
   0  -4  -8 1627.62   99.57
   0   4   8 1648.82  103.16
  -3 -10  -5  780.49  104.38
   3  10   5  955.51  129.26
  -3  10  -5  849.43  154.75
  -5  -1  -5 1592.00   91.18
  -5   1  -5 1600.57   87.40
   5   1   5 2091.01  113.23
   5  -1   5 2065.28   86.54
   0  11  -6  856.18  115.92
   0  11   6  766.14  109.46
   0 -11  -6  647.62   89.42
   3   9  -6    2.15    4.26
   0  14  -4 5370.45  337.36
   0 -14  -4 4605.20   97.94
   2   2  -8 4495.75  120.24
   6  -5   2  280.87   44.55
   6   5   2  263.03   39.09
  -6  -5  -2  242.20   34.43
   6   2  -4  831.73  107.80
   6  -2  -4  862.65  120.62
   3  11  -5 1589.12   90.17
  -2 -14  -3  552.88   96.07
   2  14   3  602.25   82.99
  -4 -12  -2 1359.42  134.97
   4  12   2 1352.48  107.78
   6   7  -1 2873.02  170.18
  -6  -7   1 3151.63  118.85
   6   7   0   52.52    8.15
  -6  -7   0   51.89    8.45
   2  13   4   83.69   12.92
   3   6  -7    2.67    5.89
   3  -6  -7    8.37    3.60
  -1  11   6    0.31    2.08
   1  11  -6    3.70    5.46
   5   6  -5 2602.59  110.00
   5  -6  -5 2781.14   65.03
  -1  -8  -7   -6.10   10.09
   1   8   7   -1.83    4.41
  -1   8  -7    8.93    4.47
  -6  -2  -3   60.24    8.85
  -6   2  -3   78.81   13.48
   6   2   3   71.53   12.64
   6  -2   3   85.49   13.30
  -3   3  -7 3009.76  197.31
  -3  -3  -7 2870.39  308.19
   3   3   7 3130.47  180.11
   4   1  -7 8040.63  479.71
   5   2   5  149.74   20.05
  -5  -2  -5  131.96   18.51
  -5   2  -5  110.70   19.77
   0  15  -3 1469.62   98.87
   0  15   3 1519.68  172.12
   0 -15  -3 1592.51   67.13
   1  14  -4 2085.47  109.53
   1 -14  -4 2253.99  144.47
   1  14  -4 2545.29  310.24
   3  14  -2 3856.89  274.71
  -4   4  -6 3004.47  188.47
   4  -4   6 3473.35  147.23
   4   4   6 3513.36  175.17
  -4  -4  -6 2794.00  118.97
  -1   3  -8 1078.77  184.75
  -1  -3  -8 1061.12   80.08
   0  16   1  124.09   21.37
   4   7  -6   86.44   14.42
   5   1  -6   15.80    3.39
   2  15  -2  153.65   20.59
   3  13   3 1070.27   61.74
  -3  13  -3 1000.67  183.58
  -3 -13  -3 1041.11   43.51
  -2   3   8  374.63   51.59
   2   3  -8  516.66   72.64
   2  -3  -8  573.56   75.55
   2   8  -7   82.70   14.41
  -2   8   7   65.32    9.72
   6  -3  -4  929.42   64.86
   6   3  -4  883.04   61.42
   4   2  -7  654.43   94.04
   4  13   0  521.42   67.72
  -4 -13   0  550.00   74.98
  -1  16   0 1991.16   55.65
   1  16   0 2087.66  140.73
   4  12  -3   49.62    8.58
   1  15  -3  296.00   39.62
   1 -15  -3  318.03   44.14
  -1  15   3  355.58   72.57
   0  13  -5 5864.56  333.51
   0  13   5 5582.91  429.24
   0 -13  -5 5019.41  227.91
  -3  -8  -6 3394.45  155.17
   3   8   6 4076.22  271.87
   4  13  -1 4364.32  283.39
   6   3   3 2969.53  177.73
   6  -3   3 3036.61  222.71
  -6   3  -3 2632.66  106.69
  -6  -3  -3 2450.05  171.00
  -4  10  -4 1194.66  121.83
  -4 -10  -4 1258.36   81.68
   4  10   4 1398.70   90.69
   4  -8   5   10.28    2.45
   4   8   5    6.46    5.11
  -4  -8  -5   -6.48    7.43
  -4   8  -5   11.27    4.01
   5   2  -6 1516.30   98.95
   5   2  -6 1093.37   56.54
   5   3   5 2134.62  107.43
  -5  -3  -5 1727.25  111.11
  -3 -12  -4 2499.52  100.61
   6   7  -2   -0.11    5.32
   0   9  -7 4118.83  223.89
   0   9   7 3400.91  216.31
  -1  14  -4 2777.91  267.98
   1  14   4 2509.01  202.95
  -1 -14  -4 2479.16   81.94
   0   5  -8  302.26   43.38
   0   5   8  291.44   39.05
   2   7   7 4264.76  282.40
  -2  -7  -7 3384.11  203.65
   1  -5  -8  102.17   15.09
   1   5  -8  113.83   16.42
   6  -7   1 2338.78   57.46
  -6   7  -1 1247.08  145.57
  -6  -7  -1 1654.25  102.09
   6   7   1 1737.06  104.51
   1  13  -5 3591.06  198.01
   1 -13  -5 2851.15  218.47
  -1  13   5 3843.63   84.80
  -3  -4  -7   16.31    4.22
  -3   4  -7   44.61   11.71
  -1 -11  -6    9.69    2.48
   1  11   6   -2.76    6.00
  -1  11  -6   -5.17    6.91
   1   9  -7 1583.13   94.42
   1  -9  -7 1249.80   77.15
  -5 -11   0   50.50    9.89
   5  11   0   59.41    9.04
   2  10   6 5975.94  331.80
  -2 -10  -6 4892.08  209.50
  -2  10  -6 6353.95  134.87
  -2  15  -2  399.13  113.49
  -2 -15  -2  933.64   69.00
   5  11  -1 3866.82  253.35
  -5 -10  -2 1691.26   61.78
  -1  16  -1  395.45   50.41
   1  16   1  394.80   59.72
   4  -3  -7 1843.16  218.06
  -1 -15  -3 1714.80   62.30
  -1  15  -3 1790.15  195.86
  -1  15  -3 1490.66  104.04
   1  15   3 1614.72  140.06
  -1  -4  -8 1737.14   91.47
  -5  -7  -4   13.38    4.28
  -5   7  -4    5.38    2.96
   3  14   2 1623.43   84.13
  -3 -14  -2 1697.80   65.72
  -3  14  -2 1491.88   42.89
   6   6   2 1887.94  104.78
  -6  -6  -2 1747.42   91.14
   6  -6   2 1940.67  247.14
  -2 -12  -5  256.15   37.10
   2  12   5  311.40   46.23
   2   4  -8 9979.51  809.73
   2  -4  -810002.32  170.15
  -4 -13  -1  830.44  108.88
   4  13   1  772.88  113.59
   4  -5   6  347.70   47.33
  -4  -5  -6  323.92   44.61
   4   5   6  350.74   55.34
   6  -4  -4  668.74   85.14
   6   4  -4  578.44   75.93
   5  10  -3  311.30   45.46
   5   3  -6   86.40   14.15
   5   3  -6  124.61   18.52
   5  -3  -6  126.45   22.98
  -5  -9  -3 1505.53   92.22
   5   9   3 1708.23  106.17
   6  -4   3    8.47    5.92
  -6   4  -3    6.70    3.41
  -6  -4  -3   18.00    9.10
   3   7  -7 2715.55  129.44
   3  -7  -7 2439.45  236.00
   5  -7  -5 1214.63  160.02
   5   7  -5 1489.50   76.07
  -5   4  -5  254.78   37.05
  -5  -4  -5  275.95   38.35
   5   4   5  358.80   61.13
   5  -4   5  354.98   45.02
   2 -11  -6  765.18  126.08
   2  11  -6 1056.73  134.22
   0  16  -2 1968.75  111.07
   4  13  -2  196.73   28.23
  -1 -13  -5 2126.32  138.68
  -1  13  -5 2835.43  201.92
   1  13   5 2555.74  183.04
   6   8  -1   44.15    9.96
   5   9  -4   41.52    7.30
   6   8   0 3313.14  155.77
  -6  -8   0 3676.20  169.31
   5  11   1 1136.51   69.90
  -5 -11  -1 1163.90   63.81
   4  10  -5   53.66    9.35
   3  13  -4   12.13    5.57
  -2   0  -8  221.42   31.51
   4   4  -7   15.40    3.93
   2 -14  -4  235.38   45.72
   2  14  -4  295.12   40.03
   5  11  -2  374.42   52.72
  -2   1  -8   -2.61    9.91
   2   1   8    5.08    3.83
   2  -1   8    7.87    5.15
  -2  -1  -8   -7.77    7.17
  -3  -5  -7 5545.76  293.10
  -3   5  -7 5966.60  510.66
   3   5   7 6929.49  439.51
  -1  -9  -7 7440.23  361.96
  -1   9  -710141.89  590.54
   1   9   7 9171.60  168.48
   3  10  -6 4387.92  456.86
   4   8  -6 3539.24  192.70
   4   8  -6 2688.26  132.55
   4  -8  -6 4047.63   80.60
   0   6   8  895.71  119.26
   0   6  -8 1141.45  152.93
   5  -4  -6 5493.72  108.97
   1  16  -2 1978.24  105.40
   1  -5   8   16.60    3.85
   1   5   8    8.30    4.42
  -1  -5  -8    2.15    4.99
  -1   5  -8   15.02    4.84
   3   0  -8  602.73   76.44
   3  14  -3  669.54   92.41
   1   6  -8 4632.44  265.95
  -1   6   8 3269.34  182.09
   1  -6  -8 3739.61  408.30
   3  11   5 1675.15   86.68
  -3 -11  -5 1450.28   43.39
   3  -1  -8  232.02   35.84
   3   1  -8  225.07   33.17
   3  15   0  122.12   16.75
  -2   2  -8 2045.88  132.17
   6   5  -4   93.58   14.27
   2  15  -3  573.92   77.41
  -1 -16  -2 2131.50  232.55
  -1  16  -2 2049.60  108.50
   4  12   3    8.90    5.95
  -4 -12  -3    7.48    3.12
  -2   9   7  936.95  127.80
   2   9  -7 1405.52   89.62
   2  -9  -7 1133.39   96.27
   0  12  -6 4457.76  300.66
   0 -12  -6 3322.17  241.36
  -6  -5  -3 4616.76  281.82
   6  -5   3 6411.77  121.51
   6   5   3 5416.98  385.09
  -6   5  -3 4850.83  106.01
   3  15  -1 2008.24  140.00
   6  -7  -3 1167.96   31.93
   2  13  -5 2096.31  108.13
   2 -13  -5 2305.98   57.78
  -4   6  -6 3760.59  181.80
   4  -6   6 4028.35  314.72
  -4  -6  -6 3263.96  186.58
   2  16   0 2450.12  149.54
   6   8  -2 3326.37  221.08
   3  -2  -8 1522.95   91.26
   3   9   6  222.86   36.85
  -5  -5  -5 6463.45  269.85
   5   5   5 7716.98  392.21
   5  -5   5 7621.57  426.02
   3  12  -5   22.84    5.17
   3 -12  -5   24.07    4.68
  -2  -8  -7  -12.83    8.61
  -2   8  -7    8.61    5.01
   6   8   1  156.53   21.30
  -6  -8  -1  140.81   21.99
   6  -7   2  653.99  141.32
  -6   7  -2  769.16  107.78
  -6  -7  -2  860.45  114.35
  -4   9  -5  741.11  107.39
   4   9   5  911.74  120.87
  -4  -9  -5  732.43   94.15
   1  12  -6 3198.27  183.63
   1 -12  -6 2292.83  213.64
   2  16  -1  704.28   97.74
  -5  -8  -4  958.98   41.56
   5   8   4 1181.44  114.58
  -5   8  -4  814.44  130.72
   4  13   2   70.01   10.54
   2  -3   8   18.38    9.25
   2   3   8    9.23    5.48
  -2   3  -8   13.96    9.66
  -2  -3  -8   17.02    5.85
   4   5  -7   11.89    4.32
   4  -5  -7   18.06    5.02
   7   0  -1    5.69    3.43
  -3 -15  -1 1808.76   85.10
   3  15   1 1880.23  180.77
   0 -10  -7   73.08   13.30
   0  10  -7  102.94   14.53
   7   0   0  144.05   21.11
  -7   0   0  147.27   20.00
   7   1  -1 2232.92  144.02
   7  -1  -1 2189.34  216.61
  -6   0  -4  421.14   24.40
  -4 -11  -4  498.73   62.95
  -4  11  -4  456.25   76.96
   4  11   4  581.40   77.92
   2  16   1  117.03   17.05
   2  14   4 1019.96   87.66
  -2 -14  -4  975.15  111.11
   5   5  -6   40.94    7.38
   5   5  -6   61.75   11.02
  -7  -1   0    4.17    2.91
   7   1   0    6.12    3.26
  -7   1   0    4.69    4.17
   7  -1   0    8.37    4.14
  -1  10   7  582.92   93.55
   3  -3  -8  355.03   26.53
   3   3  -8  343.14   50.11
   0  15  -4   52.81    5.79
   0 -15  -4   62.82    6.79
   0  15  -4   67.09    7.50
  -6   1  -4   72.96    8.46
  -6  -1  -4   59.93    7.43
   6   1   4   85.69    9.45
  -3  -6  -7  125.12   12.86
   3   6   7  148.84   13.85
  -3   6  -7  125.85   15.42
   3  -8  -7   87.57   13.25
  -2 -15  -3 2322.24  210.14
   2  15   3 2392.14  181.83
  -2  15  -3 1994.91  184.31
   4  12  -4  891.00   59.88
   6  -2  -5  249.28   22.58
   1   6   8 1569.05   71.88
  -1   6  -8 1698.44  130.86
  -1  -6  -8 1514.31   81.02
   7   2  -1  115.76   14.13
   7  -2  -1  112.47   18.53
  -2 -11  -6  728.10   52.85
  -5 -11  -2  516.11   59.39
   4  13  -3 2845.75  182.46
   7  -2   0  601.29   57.14
  -7   2   0  603.95   29.16
   7   2   0  620.04   35.73
  -7  -2   0  606.66   42.47
   3  14   3  225.91   29.96
  -3 -14  -3  241.50   20.33
   2   6  -8 2369.90  153.36
   6  -2   4 2502.18  135.86
  -6   2  -4 2058.97  143.67
   6   2   4 2565.25  117.22
  -6  -2  -4 2132.70   83.90
   1  15  -4  469.56   28.53
   1  15  -4  540.82   71.60
  -5  10  -3   63.62   12.24
  -5 -10  -3   82.62   11.74
   5  10   3   96.10    9.44
   6   6  -4  908.95   44.50
   0  -7  -8  155.79   14.85
   0   7   8  134.48   10.24
   0   7  -8  167.26   16.92
   1  12   6 2183.84  110.88
  -1  12  -6 2279.31  149.58
   4  14   0 1025.75   68.25
   5  12   0  505.39   26.46
  -5 -12   0  524.68   33.94
  -3 -13  -4   52.00    6.78
  -1   7   8  282.17   27.00
   1  -7  -8  323.33   28.68
   1   7  -8  376.10   29.91
   6   9  -1 4489.86  393.77
   0  17   0   18.85    4.18
   5  12  -1  195.51   15.74
  -2  -4  -8 4959.95  292.81
   2   4   8 5678.81  421.59
   6   9   0   -3.29    7.30
  -6  -9   0   -0.79    7.17
   5  11  -3 1709.79  121.52
   0  14   5  489.75   53.13
   0 -14  -5  421.42   30.38
   0  14  -5  493.65   44.06
   4  14  -1   65.43   11.13
   0 -16  -3  807.17   43.22
   0  16   3  742.09   91.14
  -6  -6  -3   14.23    7.55
  -6   6  -3   15.17    3.02
   6   6   3   20.58    5.19
   7   1  -2  612.20   46.87
   5  -6   5  403.60   39.07
  -5  -6  -5  379.83   41.79
  -5   6  -5  325.64   58.69
   5   6   5  435.00   45.72
   6  -3  -5 2092.97  147.74
   5  10  -4 1208.56   86.75
   2  16  -2 2536.80  161.18
   7   3  -1  710.36   35.65
   3   4  -8 4392.13  315.59
   3  -4  -8 4624.64  117.97
   7   0   1   -1.12    5.30
   1  14  -5   59.86    8.42
   1 -14  -5   49.58    6.06
   4   7   6    7.54    5.40
  -4  -7  -6  -11.41    7.17
   4  -7   6    5.30    3.43
  -2 -13  -5  651.62   29.72
   2  13   5  798.11   55.16
  -2  13  -5  852.66   84.21
   4   9  -6  544.95   37.68
   4   9  -6  401.96   32.21
   7   3   0  559.13   37.82
  -7   3   0  552.16   32.90
  -7  -3   0  591.31   67.34
   0  17  -1 3450.39  177.17
   0  17   1 3600.21   87.16
   7   1   1  567.98   24.99
   6  -3   4    5.99    4.69
  -6  -3  -4    3.62    4.86
  -6   3  -4    3.99    4.01
   6   3   4   11.68    6.58
   7  -2  -2 2286.96  246.92
   7   2  -2 2563.47  122.52
  -1 -15  -4  778.07   51.27
   1  15   4  829.37   74.15
  -1  15  -4  926.81   95.76
   4   6  -7  512.12   39.72
   4  -6  -7  460.96   56.34
   1  16  -3  366.64   44.61
  -1  16   3  297.79   36.87
   1  10   7   56.04    6.98
  -1 -10  -7   61.31    9.50
   4  11  -5 3015.76  156.18
   2 -12  -6 4303.32   89.19
   6   8  -3  445.40   43.88
  -4   0  -7   -2.45    4.88
   4   0   7    1.75    4.52
   1  17   0  488.83   26.77
  -4 -14  -1   60.53    8.33
   4  14   1   69.24    8.53
  -6  -8  -2  682.13   31.78
  -4   1  -7  448.80   37.56
   4  -1   7  514.41   46.72
  -4  -1  -7  461.63   60.30
   5   6  -6 2394.23   89.35
   5   6  -6 3393.67  200.09
   5  12   1  106.31    9.93
  -5 -12  -1  111.51    9.57
   7   2   1  193.73   17.12
  -7  -2  -1  169.22   14.41
   7  -2   1  227.87   23.07
   3  11  -6  867.88  101.96
   3  11  -6  673.99   33.61
   3  15   2  298.79   21.64
  -3 -15  -2  339.03   28.09
   6   9  -2   39.48    6.85
   2   9   7 3378.75  215.34
  -2   9  -7 3446.74  293.90
  -2  -9  -7 2558.31  288.13
  -2 -16  -2 2581.12  147.59
   2  16   2 2556.14  288.86
  -2  16  -2 2392.50   62.19
   6   9   1  474.32   21.24
  -6  -9  -1  415.09   19.35
   5  12  -2 2564.28  190.74
   2 -10  -7   64.06    9.88
   2  10  -7   77.63    8.42
  -1 -16  -3   15.96    3.30
  -1  16  -3   16.24    4.01
  -1  16  -3   14.35    2.99
   1  17  -1 3390.75  177.55
   6  -4  -5  113.34   12.19
   6   4  -5  103.62    9.30
  -2  -5  -8   23.14   13.13
   2   5   8    6.70    6.16
   7  -3  -2  244.96   34.48
   7   3  -2  267.60   23.05
  -3  -7  -7 2077.11  224.85
   3   7   7 2569.67  148.85
   4  14  -2 4168.41  364.78
   4  -2   7  573.34   29.74
  -4  -2  -7  516.40   29.08
  -4   2  -7  499.03   42.98
   4   2   7  564.61   28.87
   7  -4  -1   23.15    4.45
   7   4  -1   30.04    3.95
   1  14   5  533.79   37.98
  -1 -14  -5  493.78   31.67
   3  10   6 1701.10  119.56
   5   0   6 2071.57   86.40
  -5   0  -6 1706.23  131.22
  -1  17  -1  417.95   24.64
   1  17   1  486.53   28.93
   4  10   5   74.86    9.16
  -4 -10  -5   69.65    8.14
  -4  10  -5   63.77   10.48
  -7  -4   0 1992.31   67.61
   7  -4   0 1876.29  240.11
  -7   4   0 1701.07  180.42
   7   4   0 1952.44  110.75
   1   7   8   11.66    7.48
  -1   7  -8   42.47    7.12
  -1  -7  -8   20.82    4.13
  -3 -12  -5  120.08   12.99
   3  12   5  150.39   13.95
   6   4   4 3979.15  231.29
   6  -4   4 4284.61  359.62
  -6  -4  -4 3311.84  156.61
   5   1   6  677.13   78.00
  -5  -1  -6  517.02   30.85
  -5   1  -6  490.72   36.65
   7  -3   1 4307.35  399.82
  -7   3  -1 3847.03  203.14
   2  -7  -8  281.26   40.50
   2   7  -8  309.08   35.84
   6   7  -4  382.38   26.17
   3   9  -7 1137.93   81.23
   5   9  -5  819.03   48.14
   2  15  -4  125.94   12.16
   2 -15  -4   59.30   12.34
  -1   0   9   33.86   11.61
   1   0  -9   43.17   11.39
  -6  -7  -3 1393.67  167.85
   6   7   3 1510.15   92.37
   5  -2   6 3856.23  166.53
  -5   2  -6 3146.87  163.41
  -5  -2  -6 3193.87  164.32
   5   2   6 3924.09  196.05
  -4 -13  -3  775.30   41.76
   4  13   3  770.15   39.77
   7   0  -3   -0.94    5.66
  -4   3  -7 1375.71   98.45
   4   3   7 1543.85   68.68
   0  -8  -8 2229.11  132.72
   0   8   8 2217.74  151.54
  -5  -7  -5 1434.62   75.76
   5  -7   5 1530.49  140.60
   5   7   5 1833.77  114.59
   0  13  -6  149.07   12.36
   0  13   6  121.52   14.62
   1  -1  -9 3845.94  340.88
   1   8  -8  721.84   44.43
  -1   8   8  548.19   61.21
   0   1  -9 5598.23  479.80
   0  17  -2  224.41   17.58
   0  17   2  169.48   31.86
   7   1  -3  548.72   28.01
   7  -1  -3  605.84   31.35
   0  11   7 3663.48  382.42
   0  11  -7 4567.15  214.64
   0 -11  -7 3033.24  279.30
   3  13  -5 2030.76  104.59
   3  15  -3 1311.72   77.59
   7  -4  -2  960.06  145.28
   1  11  -7 1147.54   97.74
   1 -13  -6    1.86    1.96
   5   1  -7 3451.07  235.94
   2  14  -5   10.44    5.15
   4  -7  -7 1794.43  207.53
   1   2  -9  258.26   30.13
   1  -2  -9  232.55   27.13
   6  -5  -5 1953.95  221.81
   6   5  -5 2060.76  102.87
   0  -2   9  320.73   29.50
  -4  12  -4 1045.78  158.45
  -4 -12  -4 1295.65   59.51
   4   8   6  695.00   37.60
   4  -8   6  600.01   37.92
  -4   8  -6  573.22   52.68
  -4  -8  -6  534.24   43.26
   7   2  -3   -4.35    4.41
  -3   0  -8   16.07    5.65
   7  -5  -1 3265.69   74.98
  -7   0  -2 1287.93   65.92
  -7   4  -1  131.06   14.51
   7  -4   1  157.92   25.51
  -7  -4  -1  129.00   11.39
   6  10  -1   94.25    8.09
  -5  -3  -6  114.90   15.43
  -5   3  -6  108.46   14.85
   5   3   6  139.83   13.65
   5  -3   6  146.22   14.87
  -6 -10   0 2121.79   86.92
   6  10   0 1972.69   83.63
   3  -1   8   24.57    5.01
  -3  -1  -8   12.04    6.14
  -3   1  -8   18.99    7.84
   3   1   8   12.77    3.68
   5   7  -6  280.83   23.11
  -7  -5   0   -7.33    7.37
  -7   5   0    5.14    2.70
   7   5   0   15.68    3.83
   1  17  -2   99.12    9.54
   7   1   2  356.57   28.72
  -7  -1  -2  281.61   25.32
  -7   1  -2  324.73   27.94
   5  -2  -7  524.49   58.11
   4  14   2  146.35   13.63
   2  16  -3   10.47    2.96
  -6   5  -4   14.68    3.63
  -6  -5  -4   18.37    7.10
  -2  -6  -8 3352.06  226.27
   5  11   3  784.12   35.64
  -5 -11  -3  739.76   36.24
  -2 -12  -6 1347.64   89.79
  -2  12  -6 1780.68  139.89
   3  16  -1  119.56   12.18
   4   4   7   -2.58    6.50
  -4   4  -7   -5.21    7.67
   4  -4   7    2.14    8.43
   4  13  -4   12.41    3.62
  -1  17  -2   55.81    9.39
  -1 -17  -2   47.57    5.61
  -1  17  -2   58.11    5.02
   1  17   2   50.50    8.56
   3   2   8 1715.95   83.73
  -3  -2  -8 1640.93  146.35
   3  -2   8 1684.57   78.31
   4  10  -6 1632.64  111.37
   4  10  -6 2134.45  132.01
   3   6  -8 2819.15  164.66
   3  -6  -8 2473.99  265.95
   7  -2   2 2963.78  206.72
  -7   2  -2 2652.54   85.59
  -7  -2  -2 2628.66   98.63
   7   2   2 2927.82  144.97
   4   1  -8  261.54   24.50
   0  -3  -9 1855.78  231.90
   0   3  -9 2001.98  167.63
  -6  -9  -2   20.19    3.78
   6   9   2   20.10    4.82
  -6   9  -2    7.00    1.47
   7   3  -3 1413.68   59.30
   5  11  -4   13.68    2.87
   5  12  -3    1.88    4.85
  -3   8  -7  187.68   30.64
  -3  -8  -7  154.78   17.74
   3   8   7  169.62   16.83
  -2 -15  -4  161.00   13.61
   2  15   4  191.23   18.55
  -1  13  -6   47.95    7.01
  -1 -13  -6   30.20    5.39
  -5 -13   0   84.01   13.22
   5  13   0   85.13    9.42
   5  -3  -7 1834.97  214.13
   5   3  -7 1941.92  114.15
  -3 -16  -1  572.19   33.69
   3  16   1  556.97   31.80
   5  13  -1  870.97   45.74
   7   5  -2   59.20    6.00
   4  14  -3    8.64    2.92
   1   8   8 3781.73  290.54
  -1  -8  -8 3267.91  247.20
   2  17  -1 1154.62   62.86
  -1 -11  -7 1586.90  116.95
   1  11   7 1920.98  115.98
  -1  11  -7 2077.10  312.57
  -1   0  -9   40.22   12.08
   1   0   9   12.81   10.28
   4   2  -8 1282.50   84.83
   5  -4   6 4247.34  209.03
   5   4   6 4317.29  324.90
  -5  -4  -6 3703.99  192.77
  -5   4  -6 3558.45  227.05
   2  -1  -9  389.48   44.58
   2   1  -9  386.86   38.89
   6  10  -2 1420.21   79.66
   2  10   7   97.61   11.73
  -2  10  -7  173.65   17.01
  -2 -10  -7   87.76   10.64
  -1  -1  -9 4231.49  401.60
  -1   1  -9 4303.39  336.82
   1   1   9 4031.50  180.94
  -3 -14  -4  183.77   17.91
   0  16   4 2050.52  240.41
   0  16  -4 2255.03  193.71
   0  16  -4 1936.86   99.77
   2   8  -8  401.47   32.74
   2  -8  -8  337.67   44.70
  -6 -10  -1  115.45   11.55
   6  10   1  107.03   12.31
   6   8  -4 1136.18   66.87
   3   3   8   -7.23    8.17
  -3  -3  -8    6.01    5.94
   7   3   2   80.35    9.42
  -7  -3  -2   72.49   14.98
  -7   3  -2   71.78    6.93
  -3 -15  -3  407.70   27.13
   3  15   3  403.78   34.83
   2  16   3  215.92   21.29
  -2 -16  -3  209.86   21.93
  -2  16  -3  179.12   27.26
  -7  -5  -1 3749.59  146.81
   7   5   1 3738.17  163.53
  -7   5  -1 2996.90  251.42
   4  12  -5  293.25   23.84
   2  17   1  784.87   58.01
   4  15   0   88.56    8.20
   5  10   4  562.41   28.46
   5 -10   4  398.10   68.71
  -5 -10  -4  448.10   37.88
  -6   8  -3   18.28    2.93
   6   8   3   31.39    6.28
  -6  -8  -3   22.90    5.63
   6  -6  -5    4.57    2.07
   6   6  -5    0.78    6.34
   2 -11  -7  430.43   54.48
   2  11  -7  648.60   48.98
   2  -2  -9    4.22    5.30
   0  15   5 2992.15  284.40
   0  15  -5 3282.98  290.64
   7   6  -1  348.62   20.00
  -5  -8  -5    0.05    2.90
  -5   8  -5    3.69    4.90
   5  -8   5    2.63    3.45
   5   8   5    2.46    3.27
   4  15  -1  483.62   37.60
  -1  -2  -9  419.19   25.38
   1   2   9  384.60   19.84
   1   4  -9   28.67    7.24
   3  12  -6  943.74   50.23
   3  12  -6 1273.04  130.17
   0   4   9  110.48   10.69
   0   4  -9  129.50   17.72
   0  -4  -9  114.86   15.35
   1  16  -4 1496.05  138.68
   1  16  -4 1842.02  138.19
   3  16  -2 3727.99  277.27
   6   0  -6  929.87   89.54
   7  -4  -3   52.07    9.63
   7   4  -3   56.61   10.13
   2  14   5   59.83    8.08
  -2 -14  -5   49.99    6.60
   4   5   7 4872.20  196.27
   4  -5   7 4520.22  172.82
  -4   5  -7 4203.58  321.94
  -4  -5  -7 3934.05  247.13
  -7  -6   0 2301.62  100.61
   7   6   0 2212.01  119.52
  -3  11  -6  327.18   56.13
  -3 -11  -6  325.85   36.81
  -6  -6  -4 2070.96  158.79
   6   6   4 2299.85  124.15
   6  -6   4 2325.64  206.85
   6  -1  -6    7.58    4.45
   6   1  -6   10.59    7.86
   6  -1  -6   10.89    5.83
   4  11   5  171.17   14.01
  -4 -11  -5  152.25   13.17
  -4  11  -5  143.70   20.03
   0  -9  -8   75.30   10.45
  -5 -13  -1  377.22   19.63
   5  13   1  324.48   16.87
   5   4  -7   14.55    3.19
   1  -9  -8    9.78    2.68
   1  15  -5 2977.52  207.99
  -1  15   5 3377.79   81.40
   1 -15  -5 2310.20  177.02
   1  15  -5 2163.15  116.33
   4   8  -7  363.68   48.03
   3  10  -7   -2.03    7.51
  -6   0  -5    4.92    3.98
   5  13  -2   33.57    5.32
  -2   7  -8   68.35   10.97
   2   7   8   62.35    7.92
   2  -7   8   57.49    8.88
   6  -1   5 1229.19   63.62
   6   1   5 1262.28   70.64
   0  17  -3  511.04   80.13
   0 -17  -3  503.86   48.72
   6  -2  -6 2429.19  255.83
   6   2  -6 1832.98   77.66
   6   2  -6 2490.79  168.33
   6  -2  -6 1969.33  111.38
   2   3  -9 1351.19  160.48
   3  -4   8 6437.42  462.46
  -3   4  -8 6597.76  345.37
  -3  -4  -8 5818.20  369.57
   3   4   8 7183.78  436.55
   5  -8  -6  306.81   58.76
   5   8  -6  438.98   24.67
   5  -8  -6  445.02   78.35
   7   4   2 1905.27  186.50
  -7   4  -2 1632.74   51.53
  -7  -4  -2 1671.08   80.07
  -1  -3  -9  778.90   54.17
  -4 -15  -1  943.50   69.44
   4  15   1  913.85   40.63
   0  18   0 1685.92  240.11
   4   9   6   17.49    5.36
  -4  -9  -6    8.70    4.39
  -5  -5  -6  124.29   12.78
  -1 -16  -4 1345.65   55.41
  -1  16  -4 1174.86   71.21
  -1  16  -4 1439.11  184.08
   1  16   4 1313.20  134.64
   3  13   5  660.57   33.87
  -3 -13  -5  616.98   38.93
   7   6  -2 1127.71   65.36
  -6   2  -5  165.01   18.48
  -6  -2  -5  174.71   15.25
   6   2   5  205.74   17.55
   6  -2   5  202.10   19.77
   7   1  -4  488.54   28.83
   1  17  -3 1698.36   93.15
  -1  17   3 2251.60   61.05
   4   4  -8 1392.50   75.43
  -3 -16  -2 1029.21   52.79
   4  15  -2   11.82    4.68
   0  12   7   37.48    5.34
   0 -12  -7   27.34    4.22
   1  15   5 1980.47  161.39
   0  18   1    4.28    2.74
   0  18  -1    4.86    2.50
   1   5  -9 1330.59  103.71
   1  -5  -9 1141.49  111.15
   7  -6   1   70.34   13.84
  -7  -6  -1   57.50    7.68
   0  -5  -9  272.84   25.65
   0   5   9  191.43   24.02
   6   3  -6   63.77    7.67
   6  -3  -6   42.57    5.35
   6   3  -6   51.53    6.44
   7   5  -3  742.58   34.33
   7  -5  -3  532.43   88.36
   1 -12  -7   68.68   13.98
   7  -2  -4 1899.78   63.79
   7   2  -4 1727.65   77.64
   3  15  -4  650.58   41.73
   6  11  -1 1401.52   65.23
   6  11   0    3.63    5.47
  -6 -11   0   -1.03    5.81
   5  -5  -7  798.09  127.98
   5   5  -7  871.62   65.22
   5   5  -7  628.41   50.05
  -2 -17  -2  109.81   10.92
   2  17   2  112.18   10.90
  -2  17  -2   96.89   10.59
   6  10  -3   79.39    9.34
  -4  14  -3    0.73    1.80
   4  14   3    2.32    4.00
  -4 -14  -3    7.99    4.10
   2   4  -9  390.44   62.26
  -2   4   9  259.30   28.17
   2  -4  -9  351.02   38.57
  -3  -9  -7  845.70   58.48
   3   9   7 1043.32   56.54
  -4  -6  -7  236.39   22.29
  -4   6  -7  297.18   29.80
   4   6   7  283.67   21.34
  -1 -17  -3 1287.54   61.88
  -6  -3  -5 1657.30  109.27
  -6   3  -5 1619.36   82.37
   6  -3   5 1993.66  131.19
   0  14   6 1131.87  101.85
   0 -14  -6 1068.39   54.07
   0  14  -6 1304.84  107.52
   1   4   9    8.74    5.67
  -1   4  -9   10.43    6.78
   6   7  -5 1318.27   69.52
   7   0   3    1.13    5.02
  -7   0  -3   -1.67    5.40
   6  10   2  426.72   17.90
  -6 -10  -2  416.81   25.80
   7   7  -1 1417.50   69.40
   3  14  -5  112.06   10.27
  -7   1  -3 1787.11   88.58
   7   1   3 2195.45  228.85
   4  13   4  250.38   21.40
  -4 -13  -4  265.32   20.68
   5  12   3  170.54   14.18
  -5 -12  -3  152.16   14.80
  -3   5  -8    4.10    6.09
  -3  -5  -8   28.25    9.97
   4  11  -6  211.18   16.70
   4  11  -6  258.08   33.25
  -7  -7   0  332.28   26.16
   7   7   0  325.21   24.90
   1 -14  -6 3672.57  206.10
  -7  -5  -2   52.64    6.11
  -7   5  -2   54.39    5.69
   7  -5   2   63.74   10.02
   7   5   2   77.52    9.72
   1  18  -1   85.85    8.13
   2  -9  -8  190.23   21.08
  -2   9   8  171.65   29.43
  -6  -7  -4   27.48    5.31
   6  -7   4   18.03    4.07
   6   7   4   25.08    5.30
   6   9  -4   72.43    9.09
   7   3  -4  249.68   18.66
   7  -3  -4  255.51   21.89
  -1  18  -1  296.22   45.45
   1  18   1  297.65   45.94
  -2  13  -6  125.47   13.51
  -2 -13  -6  113.94   11.98
   2  13   6  105.61   12.58
   6   9   3  423.77   20.77
  -6  -9  -3  397.53   22.12
   6  -9   3  322.03   64.68
  -6   9  -3  289.78   41.92
   7  -2   3  810.17   51.96
  -7   2  -3  647.52   32.13
  -7  -2  -3  674.65   35.14
   7   2   3  806.18   37.65
   2  15  -5  625.56   41.04
   2 -15  -5  422.96   86.93
   6  -4  -6 1702.54  136.50
   6   4  -6 1808.72   82.80
   5  -6   6  829.65  108.20
   5   6   6  899.32   73.82
  -5   6  -6  713.23   64.48
  -5 -13  -2   13.16    4.30
   5  12  -4 1284.45   70.97
  -5  -9  -5  264.64   24.66
   5  -9   5  234.66   29.82
   5   9   5  282.21   20.41
  -5   9  -5  206.75   40.03
   4   5  -8  203.93   28.19
   3  16  -3   34.52    6.14
   6  11  -2   17.18    4.11
  -2 -11  -7 1493.80  111.37
   2  11   7 1871.97  102.78
  -6 -11  -1  888.41   37.32
   6  11   1  860.65   58.82
   2   8   8  642.93   36.14
  -2   8  -8  615.03   85.19
   3   0  -9    2.17    5.36
  -6  -4  -5   31.91    4.60
   6  -4   5   41.60    4.82
  -6   4  -5   30.73    4.93
   6   4   5   49.88    6.58
  -1 -12  -7    5.62    3.01
  -1  12  -7    8.45    4.09
  -4 -15  -2   -4.70    5.86
   4  14  -4  770.01   90.18
   2   0   9   -1.84    5.95
  -2   0  -9    9.58    7.12
   7   7  -2   72.73    8.07
   3  -1  -9  299.58   37.72
   4   9  -7 4447.94  381.27
   4  -9  -7 4609.64   97.27
   5  11   4   51.58    7.32
  -5 -11  -4   23.21    4.48
  -1   6   9   12.30    4.00
   1  -6  -9    8.80    7.17
   1   6  -9    5.92    7.07
   0   6  -9  339.96   48.06
   0  -6  -9  288.42   29.34
   0   6   9  285.42   19.78
   0  18  -2  430.70   29.28
   0  18   2  380.36   65.93
  -2   1  -9 1095.04  188.42
   2  -1   9 1113.82   83.60
   2   5  -9 2314.71  315.46
   7   6  -3   72.49    7.40
   0 -10  -8 1717.14  149.22
   0  10   8 1945.66  137.38
   0  10  -8 2537.58  245.13
   3  -8  -8  101.69   20.69
   3   8  -8  118.05   18.52
   1   5   9 1482.29   81.02
  -1   5  -9 1664.71  150.48
   1 -10  -8  851.01   68.29
   7   3   3  684.00   37.17
  -7  -3  -3  557.15   39.84
   7  -3   3  637.75   49.05
  -1 -14  -6  380.28   26.02
   1  14   6  437.79   33.29
  -1  14  -6  464.75   47.47
   5  -9  -6   58.92   12.10
   5   9  -6   77.26    8.51
   5  14   0  537.26   29.49
   5   6  -7    6.70    2.87
   5   6  -7   -1.57    4.81
   5  -6  -7   -0.44    3.93
   7  -4  -4  390.74   46.13
  -7   7  -1  704.34   94.55
  -7  -7  -1 1032.62   48.65
   5  14  -1    9.07    5.53
   3  17   0   -3.26    5.51
   2 -12  -7   19.62    3.98
   2  12  -7   28.84    5.62
   3   2  -9   22.08    8.05
   4  13  -5 1147.18  128.48
   2  17  -3 2002.02  137.21
   2   2   9    5.81    3.88
  -2   2  -9    5.39    6.19
  -2  -2  -9    4.21    7.17
   2  -2   9    6.19    6.66
   3  11  -7 1880.03  111.33
   3 -11  -7 1255.41  193.48
   5  11  -5  727.34   41.86
  -3  12  -6 1176.81  228.32
  -3 -12  -6 1164.36   69.79
   3  12   6 1456.64   74.37
   3  17  -1  296.71   23.91
  -4 -10  -6  515.94   28.40
   4  10   6  651.65   51.47
   4  15  -3 1267.74   73.40
  -4 -12  -5  481.53   30.10
   4  12   5  542.73   33.28
   3   6   8 3012.90  139.43
  -4  -7  -7 1504.58  124.61
   4   7   7 1940.33  178.77
   4  -7   7 1627.31   86.00
   7   6   2 1352.38   60.69
   7  -6   2 1232.85  208.33
  -7   6  -2  994.06   94.58
  -7  -6  -2 1327.15   61.13
   3 -13  -6   72.69   13.89
   3  13  -6  119.67   21.42
   3  13  -6   87.57   14.56
   6  -5  -6    8.57    3.23
  -2 -16  -4  878.38   38.55
  -3 -15  -4   24.52    5.49
   2 -14  -6 1414.97  125.86
   2  14  -6 1584.12  144.21
   6   8  -5   82.19    8.42
  -1  18  -2  417.90   77.49
   3   3  -9 3707.15  310.86
   3  -3  -9 3853.90  119.67
   7   8  -1  103.31    8.90
  -6  -5  -5  614.16   31.45
  -6   5  -5  626.87   31.37
   6   5   5  756.89   44.37
   4   6  -8 1805.88  122.37
   4  -6  -8 1595.55  208.35
   3  17   1  484.07   35.27
   7   4   3  120.29   10.74
  -7  -4  -3  107.96   11.91
   2   3   9 2839.61  209.06
  -2   3  -9 2824.13  386.87
   2  18   0  945.46   63.60
  -7  -8   0 1057.86   65.53
   7   8   0 1045.84   50.66
  -5 -14  -1   -1.00    6.68
   5  14   1    4.79    4.73
  -3 -16  -3   13.09    4.42
   3  16   3    4.87    6.64
  -3  16  -3    4.97    1.31
  -6  -8  -4  608.79   43.63
  -5   7  -6   54.30    8.35
  -5  -7  -6   62.11    8.54
  -2 -15  -5  579.57   25.60
   2  15   5  620.08   42.81
   4  16   0  805.86   48.36
   0 -17  -4  101.76   12.37
   0  17   4  102.33   14.84
   0  17  -4  117.33   16.25
   0  17  -4  104.17    9.63
   5  14  -2 1063.22   75.73
  -3 -10  -7   33.33    5.22
   3  10   7   35.53    6.85
   0 -16  -5   85.07    8.31
   0  16  -5   71.47    7.02
   2  18  -1   11.55    4.93
   4  16  -1  182.89   13.74
   7  -5  -4   92.04   14.52
  -2 -17  -3  742.27   57.29
   2  17   3  674.68   71.96
  -2  17  -3  545.23   66.48
   2   6  -9   83.27   18.12
   2  -6  -9   64.98   11.55
  -1  10  -8 1547.08  114.10
   1  10   8 1251.56  126.83
  -1  -6  -9  145.93   17.06
   1   6   9  147.16   14.07
  -5   0  -7    4.44    6.90
   5   0   7   -1.20    6.23
   3  14   5   13.11    4.88
  -3  14  -5    5.37    4.42
  -3 -14  -5    4.91    3.50
  -1   7   9 2431.06  164.76
   2 -10  -8  391.52   42.83
   2  10  -8  501.59   40.55
  -2  10   8  325.34   42.05
   0  -7  -9 1871.80  187.78
   0   7   9 1862.05  118.17
   1  17  -4   71.70    7.64
   1 -17  -4   73.14    8.42
  -1  16   5   21.06    4.26
   1 -16  -5   16.81    2.73
   1  16  -5   24.42    5.54
   6  12  -1   65.61    6.37
  -5  -1  -7  593.28   38.09
  -5   1  -7  582.93   72.24
   5   1   7  720.96   42.62
   3  17  -2  104.08   11.64
  -6 -11  -2  253.54   18.17
   6  11   2  261.13   14.08
   7   7  -3  808.78   45.02
   2  18   1   69.23    8.68
  -2  18  -1   42.96   11.91
   6  10  -4 1757.90  112.91
  -6 -12   0  737.97   61.94
   6  12   0  745.62   33.32
   0 -13  -7  621.12   63.01
   4   0   8 1010.34   58.92
  -4   0  -8  876.51   83.03
   7   8  -2 2224.29  132.16
   3  -4  -9   29.54    9.87
   3   4  -9   12.20    5.89
   1  13  -7 2134.33  132.51
   5   7  -7 1007.06   55.24
   5  -7  -7 1141.03  203.77
   7   0  -5    4.38    4.47
   6  10   3    2.22    7.53
  -6 -10  -3    9.52    3.58
  -2  -4  -9   94.00   12.11
   2   4   9   91.71   10.25
  -2   4  -9   82.68   11.34
   4   1   8    7.48    8.12
  -4   1  -8   15.32   11.18
  -4  -1  -8   10.67    4.60
   4  -1   8    6.04    4.38
  -2   9  -8   -1.53    6.32
   2   9   8   -1.04    6.94
  -2  -9  -8    6.57    5.61
  -5 -10  -5   13.15    4.12
  -5  10  -5    8.38    3.00
   5  10   5   11.56    3.88
   7   1  -5 1148.12   58.10
  -4 -16  -1   40.13    5.90
   4  16   1   38.06    6.15
   5   2   7  432.69   24.35
  -5  -2  -7  347.38   23.90
  -5   2  -7  356.80   36.81
   5  -2   7  418.89   27.01
   6   6  -6 1524.10   74.07
   4  12  -6  197.17   11.65
   4  12  -6  229.78   31.32
  -7   8  -1    1.55    1.18
  -7  -8  -1   -0.96    6.64
   7   8   1    4.57    3.55
  -7  -5  -3  666.71   40.00
  -3   7  -8  109.19   16.74
   3   7   8  114.76   14.14
   3   9  -8   34.55    6.25
   3  -9  -8   27.99    4.90
  -7   7  -2    5.08    2.37
  -7  -7  -2   12.44    4.39
   7  -7   2   10.67    2.87
   7   7   2    4.59    4.06
  -4   2  -8 1885.33  131.81
   4  -2   8 1931.85  104.06
  -5 -13  -3  999.27   59.19
   5  13   3  989.05   46.38
  -1  17  -4  157.22   15.62
  -1 -17  -4  180.06   15.22
   4 -10  -7   19.86    3.68
   4  10  -7   11.20    3.48
   4  10  -7   41.64   10.85
  -6   6  -5  239.52   38.28
  -6  -6  -5  225.42   22.21
   6  -6   5  255.92   24.65
   6   6   5  292.42   51.41
   0  18   3   37.79    5.37
   0  18  -3   32.69    5.96
   0  18  -3   41.22    6.94
   7  -2  -5  324.82   46.77
   7   2  -5  301.49   15.40
   7  -2  -5  330.81   16.50
   4  16  -2  763.60   42.51
  -4  -8  -7    7.52    5.75
   4   8   7   12.26    7.18
  -4   8  -7   14.36    6.14
  -1 -16  -5  374.68   21.16
   1  16   5  398.84   35.80
  -1  16  -5  391.53   55.01
  -4  14  -4 2719.00   73.66
   4  14   4 2341.06  135.60
  -4 -14  -4 2301.89   96.59
   4  15   3  762.94   65.24
   6  12  -2  435.61   21.25
   5  10  -6  527.68   32.69
   2  18  -2 1174.88   62.94
   0 -15  -6  336.03   15.08
   0  15   6  330.40   48.36
   0  15  -6  391.85   40.32
   2  12   7  170.91   13.08
  -2 -12  -7  115.55   16.11
  -2  12  -7  148.50   14.92
   4   7  -8  230.93   30.96
   6  12   1  153.24   13.14
  -6 -12  -1  153.59   13.20
   3  16  -4 1450.94   74.91
   3  17   2   28.38    5.28
  -3 -17  -2   22.11    4.78
   5  -3   7 1613.03  162.32
  -5   3  -7 1272.45  131.53
  -5  -3  -7 1340.90   65.67
   5   3   7 1618.49   71.01
   5  13  -4    5.44    3.86
   0  11  -8    9.65    6.99
   0 -11  -8    9.66    4.09
  -1  11   8  294.61   32.17
   1  11  -8  423.84   35.76
   1  18  -3   15.31    3.51
   1  15  -6   57.03    7.23
   5   2  -8 1209.48  103.54
  -5 -12  -4 2310.11  115.70
  -2 -14  -6  346.86   39.68
  -2  14  -6  450.95   47.50
   2  14   6  373.93   42.07
   7   0   4 1758.47   93.83
  -7   0  -4 1460.03   76.80
  -4  -3  -8   11.77    5.16
   4   3   8    3.91    3.68
  -4   3  -8   13.90    7.19
   5  14   2  992.55  106.25
  -5 -14  -2  995.35   58.83
  -1 -13  -7  285.79   40.35
  -1  13  -7  390.23   33.16
  -7   1  -4   28.72    4.36
  -7  -1  -4   31.73    4.54
   7   1   4   32.22    5.38
   7  -3  -5 1523.69  200.84
   7   3  -5 1539.67   60.81
   6   9  -5  611.98   36.62
  -2  -5  -9 3101.16  192.02
   2   5   9 3451.75  544.52
  -5   8  -6  448.62   56.21
   5   8   6  612.83   29.98
  -5  -8  -6  458.94   30.77
   2  -7  -9 2430.35  236.21
   2   7  -9 2860.85  277.05
   7   9  -1 1028.42   67.08
  -1   7  -9 1477.95  135.77
  -1  -7  -9 1168.37   88.65
   6   0  -7    1.76    2.65
   6   0  -7    7.95    4.26
   4  11   6    3.17    5.59
  -4 -11  -6   10.47    2.90
   5  14  -3    7.43    4.39
  -7  -9   0   21.42    3.59
   7   9   0   22.71    3.65
   6   1  -7  929.63   78.50
   6  -1  -7  708.80   40.33
   6   1  -7  720.91   34.71
   6  -1  -7  906.29   96.08
   0  19  -1 1453.60  128.43
  -2 -18  -2  266.13   52.31
  -2  18  -2  217.17   22.79
  -6  -9  -4    4.17    3.54
   6   9   4    7.67    5.20
   6  -9   4   -2.23    3.56
  -1  18  -3    6.75    3.29
  -1 -18  -3   12.17    2.94
   3  12  -7  697.73   37.29
   3 -12  -7  372.37   59.66
   5  12  -5   50.50    6.76
  -7  -2  -4 1216.49   57.63
   7   2   4 1500.58   66.03
   7  -2   4 1415.12  119.77
  -7   2  -4 1187.91   66.34
   2  16  -5  101.00   19.26
   2  16  -5   89.80    9.58
   2  13  -7 2311.76  189.12
   5   3  -8  150.90   15.81
   6   0   6 2757.03  155.87
  -6   0  -6 2251.94  134.71
   2  17  -4    4.57    2.67
  -1  19   0    7.31    3.27
   1  19   0   11.77    4.81
   1   8  -9   68.11    7.63
  -1   8   9   47.74    9.15
   4  15  -4  123.71    9.87
   0  -8  -9  274.98   51.70
   0   8   9  285.73   48.70
   0   8  -9  389.75   42.59
  -7   6  -3  239.66   45.47
   7  -6   3  291.74   38.19
  -7  -6  -3  259.07   38.53
  -5   4  -7   34.99    7.32
  -5  -4  -7   39.62    8.15
   5   4   7   47.11    5.42
   7   8  -3   92.52    9.05
   3  13   6    2.29    4.02
  -3 -13  -6   -7.32    6.40
   6   1   6  111.94    9.56
  -6   1  -6   93.25   11.41
   6   2  -7  738.17   39.98
   6   2  -7 1065.61   92.38
   6  -2  -7 1033.39  120.68
   6  -2  -7  798.43   28.21
   6   7  -6   70.31    6.62
   4  13   5  981.09   61.96
  -4 -13  -5  907.04   88.47
  -4  13  -5  723.28  118.69
   8   0  -1    4.97    3.72
   5  -8  -7   35.20    9.30
   5   8  -7   41.58    5.80
   5   8  -7   50.56    8.05
   3  17  -3 1828.91  116.23
  -4 -16  -2  958.52   57.01
   4  16   2  989.24   54.42
  -4   4  -8 2414.54  200.68
  -4  -4  -8 2337.96  168.15
   4   4   8 2716.39  142.79
  -1  15  -6  216.73   32.29
  -1 -15  -6  192.18   14.04
   1  15   6  213.80   19.39
   8   1  -1 1033.02  100.66
   8  -1  -1 1018.04  116.09
   7   4  -5   84.19    8.29
   7  -4  -5   76.37    7.39
   1  19  -1 1687.16   96.57
   5  15  -1  341.48   19.00
   7   9  -2    3.97    4.56
   8   0   0   48.03    6.34
  -8   0   0   49.56    6.10
  -3  11  -7  857.69  163.97
   6   7   5  874.13   32.11
  -6   7  -5  606.10   87.77
  -6  -7  -5  692.36   33.90
   6   2   6 2990.40  353.40
  -6   2  -6 2299.36  160.16
  -6  -2  -6 2375.37  154.14
   7   3   4  147.40    8.96
  -7   3  -4  103.49   11.46
   7  -3   4  125.47   15.92
   3  14  -6  569.80   33.91
   3  14  -6  718.85  104.88
   8  -1   0   38.70    5.47
  -8  -1   0   32.01    5.65
  -8   1   0   34.94    4.85
   1  19   1 1193.28  161.07
  -1  19  -1 1773.77   60.17
  -3  -8  -8  167.70   25.87
  -1  11  -8  229.80   22.27
  -1 -11  -8  141.47   28.19
   7   8   2  901.89   47.14
  -7   8  -2  561.04   92.69
   4   0  -9   13.83    4.92
   8   2  -1   45.96    6.51
   4   1  -9 1611.31  234.54
   4  -1  -9 1468.59  236.73
   6   3  -7  914.68   69.90
   6  -3  -7 1146.58  192.29
   6  -3  -7  895.87   55.14
  -7  -9  -1  186.62   20.45
   7   9   1  210.94   12.18
   3   0   9    1.21    3.92
  -2  11   8   38.46    9.38
   2  10   8  372.36   36.38
  -2 -10  -8  346.03   23.24
   3   6  -9  102.37   11.31
   3  -6  -9   80.18   13.35
   6  11  -4  480.41   29.88
   5   4  -8  701.16   64.89
   5  -4  -8  710.29   81.06
  -3  -1  -9 1064.43   71.16
  -3   1  -9 1069.36  104.73
   3   1   9 1104.50   66.24
   6  12  -3  303.46   29.01
   2   6   9   -2.25    7.79
  -2  -6  -9    4.46    5.34
   2  -6   9   -1.53    4.17
  -8   2   0  807.70   58.04
  -8  -2   0  911.09   57.03
   8   2   0  828.07   54.73
   1  -1 -10   65.25   11.22
  -1   1  10   58.24    6.57
   1   1 -10   56.00    9.70
   4  16  -3    5.30    4.22
   8   0  -2  853.75   90.99
   4   8  -8 2009.57  174.09
  -6 -11  -3 1005.47   50.86
   6  11   3 1094.52   42.54
   2  15  -6  243.24   39.76
   6  12   2 1953.67  124.62
  -4   9  -7  496.57   56.19
   4   9   7  588.49   36.37
  -4  -9  -7  516.79   39.59
   3  10  -8 1178.88  117.34
   8   1  -2   91.78   11.06
   8  -1  -2   75.84   12.30
  -5 -11  -5  742.27   35.27
  -5  11  -5  513.33   98.43
   5  11   5  890.23   49.57
   6   3   6   25.23    4.70
  -6   3  -6   27.59    4.75
   4   2  -9  333.34   61.14
   4  -2  -9  339.64   33.16
   3  16   4 1056.36   77.12
  -3 -16  -4 1029.82   52.14
   0  19  -2   71.72    8.92
   5   5   7  823.44   47.18
  -5  -5  -7  649.66   51.76
  -5   5  -7  644.70   62.55
   3  18   0  529.80   41.50
   5  15   1 1388.77   76.20
  -5 -15  -1 1488.39   74.12
   2  18  -3  247.07   15.45
  -3   2  -9   21.78    7.38
  -3  -2  -9   10.11    7.37
   3  -2   9   21.33    4.82
   6  13  -1  226.27   37.49
   6  13   0   56.24    7.81
  -6 -13   0   32.77    5.78
  -2  17  -4   10.23    3.84
  -2  17  -4   11.35    2.57
   8  -3  -1 1629.31  236.66
   8   3  -1 1914.41  130.17
   7   4   4 1227.36   94.38
  -7   4  -4  917.35   66.81
  -7  -4  -4  989.32   43.17
   3  18  -1   24.89    4.40
   5  15  -2  112.62    8.44
   0  -2 -10 1139.23  101.27
   0   2 -10 1161.75  213.11
   4   5   8  217.75   19.51
  -4  -5  -8  164.61   25.11
  -2   8   9   62.87   13.50
   4  11  -7  429.62   24.80
   4  11  -7  562.38   69.65
   8   2  -2  734.89   54.75
   8  -2  -2  663.81   94.74
  -1   8  -9   48.66    7.89
   1   8   9   37.21    6.62
  -1  -8  -9   31.65    5.55
   7   5  -5 1482.06   74.12
   7  -5  -5 2253.30   67.50
  -8  -3   0   27.30    5.99
  -8   3   0   25.16    6.28
  -8   0  -1    3.90    4.91
  -2 -16  -5   -1.95    5.62
   2  16   5    1.67    3.97
   0  14  -7    8.56    4.54
   0  14   7    5.37    3.17
   6   4  -7   30.62    8.47
   6  -4  -7   25.11    5.31
   6   4  -7   23.42    5.35
  -7  -7  -3  726.77   60.18
   7   7   3  838.87   70.78
  -7   7  -3  614.11   77.98
   5  -9   6   -0.59    5.61
   5   9   6   -4.93    6.96
  -5   9  -6    2.37    2.25
  -5  -9  -6   12.47    4.41
  -8   1  -1  696.41   72.44
  -8  -1  -1  704.59   55.65
   4  13  -6   61.31   11.90
   4  13  -6   70.92   16.37
   1 -14  -7   33.22    6.99
   1  14  -7   39.24    8.73
  -3 -15  -5 1217.89  127.82
   3  15   5 1310.49   92.60
  -3 -17  -3 1460.91   74.08
   3  17   3 1392.83  110.65
   4   3  -9 1539.50  199.96
   4  -3  -9 1488.69  179.18
   3  18   1   56.81   11.31
  -3   3  -9 1482.34  156.08
  -3  -3  -9 1409.91  100.57
   3  -3   9 1534.39  124.46
   3   3   9 1500.75   99.14
   6  10  -5   10.53    3.74
   1   3 -10  195.59   43.40
   0 -17  -5  889.07   34.05
   0  17  -5  802.09   50.80
   5   5  -8   12.38    5.24
   5  -5  -8   16.48    5.30
   7  10  -1   21.95    6.96
   4  17  -1  188.71   31.89
  -6   4  -6  685.94   56.38
   6   4   6  871.97   51.17
  -6  -4  -6  707.01   40.26
   6  -4   6  815.87   60.47
   0   3  10  151.81   26.62
   0  -3 -10  184.70   36.20
   6   8  -6  496.55   37.05
  -8  -2  -1    2.23    3.02
   8   2   1    3.46    3.78
   8  -2   1   13.88    5.35
  -8   2  -1    4.35    4.55
   0 -12  -8  466.10   48.19
   0  12   8  539.89   55.09
   0  12  -8  730.10   68.56
  -7 -10   0  642.50   50.65
   7  10   0  613.26   29.25
   8   3  -2  484.03   33.91
   8  -3  -2  418.64   72.83
   1  -9  -9 2173.64  233.06
  -1   9   9 2025.63  195.65
   1   9  -9 3240.09  180.48
   0  18   4  345.75   75.59
   0 -18  -4  339.31   33.33
   1 -12  -8  723.28  105.61
   1  12  -8 1199.79  108.24
  -1  12   8  809.22  104.54
  -6 -10  -4  835.45   29.71
   0   9   9 2596.44  235.84
   0  -9  -9 2558.26  245.70
   2  19   0   57.63   13.89
   5  14   3    9.49    4.15
  -5 -14  -3    4.22    6.26
   7   9  -3 1600.71  112.17
   6  13  -2   10.18    3.79
   8   4  -1   12.53    5.42
   8  -4  -1    6.70    3.15
   2  13   7  674.64   46.70
  -2  13  -7  683.07   86.47
  -2  18  -3   86.33   17.38
   2  18   3  112.90   23.18
  -2 -18  -3  121.01   23.10
   2   1 -10   78.53   16.08
   2  -1 -10   71.60   16.10
  -6 -13  -1 1034.57   61.77
   6  13   1  964.70   53.73
   1  17  -5  527.29   30.31
  -6  -8  -5   65.60   12.97
   6   8   5   63.16   12.05
  -6   8  -5   51.17   14.64
   6  -8   5   55.39   12.30
   5   9  -7 1780.01  158.83
   5   9  -7 1370.13   62.89
   3   7  -9 1207.07   89.91
   3  -7  -9  944.79  127.96
  -8  -4   0 1808.71  145.98
   8   4   0 1836.08  113.76
  -1   0 -10  230.02   49.89
   2  19  -1  751.50   35.95
  -5 -13  -4  -11.38    8.77
  -7  -5  -4   18.60    5.02
   7  -5   4   17.36    3.85
   7   5   4   21.44    8.74
  -7   5  -4   21.47    5.12
   1  18  -4  787.67  143.25
   1  18  -4  775.46   45.48
   2   7   9  637.37   60.93
   5   6   7   52.03   10.55
  -5   6  -7   35.77    7.73
  -5  -6  -7   31.74    6.80
   3  18  -2  369.83   25.30
  -4 -12  -6 1689.91  100.33
   4  12   6 2046.05  127.96
   5  14  -4 2207.95  133.84
   1   1  10   79.13   15.44
  -1  -1 -10   92.48   19.47
  -1   1 -10  107.33   19.15
   4  -4  -9  245.03   46.19
   2   2 -10 1632.71  193.10
   4  17   1 1186.70  110.40
  -4 -17  -1 1209.57   71.13
  -4 -15  -4  495.70   42.90
  -4  15  -4  322.15   97.38
   4  15   4  550.50   43.35
   8   3   1  702.74   43.64
  -8  -3  -1  640.41   36.31
   8  -3   1  669.27   78.32
  -8   3  -1  588.07   47.33
  -3  -9  -8   41.08    8.37
   3   9   8   55.42   12.29
  -7   9  -2    0.39    1.40
   7   9   2    5.78    3.96
  -7  -9  -2    9.30    5.18
   6  -5  -7  633.08   59.49
   6   5  -7  721.04   37.55
   7   8  -4 1127.77   57.09
   3  -4   9    2.97    4.20
  -3  -4  -9   -0.82    8.81
  -3   4  -9    9.43    6.52
   3   4   9    5.99    3.96
   8  -1  -3  734.11   99.77
   8   1  -3  785.90   76.90
  -4  -6  -8  873.04  120.44
   4  -6   8 1024.18   55.68
  -4   6  -8  983.26   99.26
   4   6   8 1191.52  112.81
   7  10  -2  467.97   23.12
   1  -4 -10  154.22   29.41
   1   4 -10  185.26   34.87
   2  19   1  283.35   53.93
   1  14   7   37.24    9.75
  -1 -14  -7   36.78    8.94
  -1  14  -7   57.99   11.75
   7   6  -5   95.94   16.60
   7  -6  -5   71.63   16.30
   0   4  10  813.61   51.93
   0  -4 -10 1010.87   30.69
  -4 -16  -3   11.34    5.61
   4  16   3    5.38    3.73
   7   0  -6  743.95   88.52
   7   0  -6  647.91   27.19
   1   2  10  965.64   87.18
  -1  -2 -10 1041.59   81.53
   3  13  -7  487.02   24.25
   3  13  -7  680.71   49.27
   8   4  -2  416.16   51.85
   5  13  -5 1839.81  116.73
   0  16   6  344.77   69.22
   0  16  -6  416.46   75.78
   2  15   6   16.34    5.92
  -5 -15  -2  108.27   18.56
   4  17  -2    4.94    2.95
   7   1  -6  307.89   60.08
   7   1  -6  353.41   70.24
   7  -1  -6  310.15   49.04
  -1  17  -5  944.49  151.62
  -1 -17  -5  936.90   37.40
  -1  17  -5  828.37   79.37
   1  17   5  965.67  105.29
   6   5   6   -0.02    7.00
  -6  -5  -6    4.14    4.06
  -6   5  -6   -7.59    6.22
   4   9  -8    8.56   11.38
  -7 -10  -1  136.47   27.64
   7  10   1  148.06   23.91
   8  -2  -3  158.71   34.81
   8   2  -3  181.99   30.53
  -1  18  -4  455.31   40.46
  -1 -18  -4  503.68   37.64
  -1  18  -4  524.01   90.17
   1 -16  -6  721.74   49.50
   1  16  -6  964.89   69.66
   1  16  -6  793.64   48.66
   2   3 -10   27.52   10.34
   3  17  -4   76.44   14.25
   2  14  -7   13.80    5.22
  -3 -12  -7   45.22   11.45
   5  15  -3  662.04   39.44
   5   6  -8 1404.20  103.25
   5   6  -8  907.53   41.51
   5  -6  -8 1133.13  228.36
   8   5  -1 1280.90   77.07
  -2  11  -8   46.14   10.90
   2  11   8   42.13    9.59
  -2 -11  -8   33.77    7.53
   7   2  -6  761.28   40.18
   7  -2  -6  847.26  112.19
   7  -2  -6  735.37   38.93
   7   2  -6  872.70   99.22
   4  10   7    8.88    5.48
  -4 -10  -7   21.13    7.37
  -1  12  -8  719.55   84.64
  -1 -12  -8  516.02   61.65
  -3 -14  -6 1452.88   92.15
   3  14   6 1743.80   95.85
   0  19  -3  782.82   70.30
   0  19  -3  770.85  166.55
  -7  -8  -3  118.32   21.32
  -7   8  -3   88.68   17.53
   7  -8   3   92.88   26.17
   7   8   3  149.11   25.40
  -3 -18  -2 1116.56   94.10
   8   5   0   23.46    6.45
  -8  -5   0   20.62    5.95
   2  -9  -9  684.51   74.25
   2   9  -9  878.14   96.01
  -2   9   9  544.30   78.51
   8   4   1    0.93    3.95
  -8   4  -1    2.76    2.37
  -8  -4  -1   -0.56    5.96
   8  -4   1    2.75    6.22
  -4 -14  -5   40.81    9.63
  -4  14  -5   31.26    6.89
   1   3  10    8.67    5.32
   1   9   9  746.69   58.79
  -1   9  -9  909.90  118.34
  -1  -9  -9  642.18   80.18
  -8   0  -2 2746.25  180.34
  -2  12   8  944.48  162.41
   2 -12  -8 1039.03  166.46
   2  12  -8 1725.96  144.42
   6  12  -4 1933.89   99.81
   2  19  -2  153.02   25.56
   3  11  -8   16.97    5.78
   4  -5  -9  950.51  124.14
   4   5  -9 1134.02   92.72
  -8   1  -2   79.51   14.43
  -8  -1  -2  102.28   17.30
   8   1   2  100.68   18.20
   8  -1   2   87.14   16.00
   8  -3  -3  253.64   56.93
   8   3  -3  354.08   17.27
  -7  -6  -4  634.53   28.80
  -7   6  -4  474.15   47.86
   6  12   3   -3.58    8.21
  -6 -12  -3   -1.88    6.83
   4  16  -4 1685.00   87.92
   4  15  -5  913.67   58.90
  -3   5  -9 1543.33  153.53
   3   5   9 1694.75  147.62
   1  -5 -10  200.71   42.30
  -1   5  10  159.09   29.29
   1  19  -3 1783.13   92.68
   5  12   5    5.57    4.49
   6  13  -3  656.72   30.06
   0  -5 -10   12.32    5.75
   0   5  10   12.00    4.81
   2  17  -5  778.15  128.88
   5 -10   6  660.91  117.90
  -5  10  -6  659.37   93.28
   5  10   6  991.81   52.41
  -5 -10  -6  792.27   70.74
   7   3  -6  118.40   20.53
   7  -3  -6  120.30   20.28
   8   5  -2   36.91    7.57
   8  -5  -2   25.67    6.12
  -8   2  -2 1164.67   75.51
   8   2   2 1395.15  146.10
   8  -2   2 1385.20  128.60
  -8  -2  -2 1274.76   99.18
   6  -6  -7  408.14   93.83
   6   6  -7  476.80   44.42
   6  -6  -7  277.63   55.97
   6   6  -7  395.99   20.42
   3  15  -6  469.92   23.92
   3  15  -6  605.16   82.38
   0  20   0  312.64   42.96
  -5  -7  -7  890.10   84.27
  -5   7  -7  815.31   99.52
   5   7   7 1030.49   60.29
  -7   0  -5    6.42    3.85
   6   9  -6   45.39    9.06
  -6 -13  -2   20.13    5.61
   6  13   2   13.48    6.07
  -1  16  -6  666.91   92.47
   1  16   6  661.11   55.41
  -1 -16  -6  564.74   29.05
   5  16   0 1022.15   41.85
   5  16  -1  195.99   32.84
  -7   1  -5 2082.38  108.77
   7  -1   5 2586.34  192.54
   7   1   5 2659.45  156.48
  -7  -1  -5 2063.03  114.82
   4  12  -7   52.48   10.55
   4  12  -7   37.30    8.18
   2  18  -4 1258.76  112.18
   2  19   2   -0.84    4.23
  -4 -17  -2   -6.21    6.48
  -2  -8  -9   15.19    5.34
   2   8   9   -8.43    7.57
   4   7   8  225.17   41.64
   4  -7   8  183.61   29.30
  -4  -7  -8  194.41   33.80
  -1  -4 -10 1963.61  202.49
   1  19   3  312.49   68.60
  -1  19  -3  272.43   53.20
  -1 -19  -3  341.17   23.68
   6   9   5 1582.10  173.65
   6  -9   5 1166.77  178.73
  -6   9  -5  927.72  172.27
  -6  -9  -5 1512.99   69.70
   6   6   6  266.27   42.42
  -6   6  -6  182.00   37.74
  -6  -6  -6  211.08   37.98
   7   7  -5  655.93   35.95
   1 -10  -9    6.61    6.73
   1  10  -9    5.07    8.02
   6  11  -5  410.75   27.13
   7  10  -3   35.61    7.56
   5  12  -6  653.48   41.80
   7  11  -1 1027.21   47.38
   0  20   1  199.79   49.49
   3  18  -3   91.37   16.18
  -7   2  -5   10.95    5.90
   7   2   5   18.35    5.29
  -7  -2  -5   18.04    4.92
   7  -2   5   26.53    6.16
   8   5   1 1198.58  107.24
  -8   5  -1  808.84  111.58
  -8  -5  -1 1107.25   53.20
   6  14   0  677.32   39.12
   7  11   0  133.91   22.68
  -7 -11   0  147.64   26.14
   8   6  -1   72.98   13.94
   8  -3   2   56.23   10.70
  -8   3  -2   50.16    9.49
  -8  -3  -2   62.28   11.91
   5  10  -7   20.21    5.65
   5  10  -7   16.89    9.73
  -6  11  -4   -3.48    3.15
   6  11   4   -1.89    8.37
  -6 -11  -4   14.99    5.50
   7   9  -4    2.99    3.66
  -1  20   0 1447.42   89.48
   1  20   0 1242.46  170.09
   2  16  -6  864.24   55.09
   8   6   0  883.13   48.87
  -8  -6   0  860.01   52.36
   3   0 -10  867.97   87.45
   7  -4  -6  838.59   94.99
   7   4  -6  962.05  108.55
   5   7  -8    5.29    4.08
  -3 -10  -8  196.58   36.60
   4  14  -6  321.79   73.60
   4  14  -6  297.37   50.10
  -7 -10  -2  525.55   35.91
   7  10   2  544.24   30.32
   5  16   1    8.13    5.14
  -5 -16  -1    3.47    5.32
   0  15   7  533.41   64.61
   0 -15  -7  516.16   71.30
   0  15  -7  704.05   80.60
   0  13  -8   -0.31    6.90
   0 -13  -8    5.61    3.51
   0  13   8    3.87    3.78
   3  17   4   28.75    4.75
  -3  17  -4   19.32    4.26
  -3  17  -4   21.12    4.39
  -3   6  -9   11.13    5.23
   3   6   9    2.11    4.94
   1  20  -1  155.96   11.57
   8   0  -4 1806.68   88.31
   1 -13  -8    0.74    2.72
   1  13  -8    6.59    5.86
   2   5 -10  116.08   16.80
   5  16  -2  685.56   35.17
  -7  -3  -5  354.54   33.05
   7   3   5  475.25   37.08
   7  -3   5  463.03   42.12
  -1   6  10  150.14   13.23
   1  -6 -10  182.72   24.31
   1   6 -10  264.81   27.41
   1 -15  -7 1186.87  103.57
   1  15  -7 1643.38  203.18
   8   1  -4    9.36    3.26
   8  -1  -4   10.51    2.66
   0   6  10  656.94   66.27
   0  -6 -10  647.43   70.56
   7  11  -2   31.06    7.36
   1  20   1  183.20   39.01
   3   2 -10 1179.70  141.74
   3  -2 -10 1113.68  162.13
  -2   0 -10   19.45    6.50
   2   0  10   19.99    5.54
   5   0   8 1412.01  130.84
   8   6  -2 1472.41   82.90
   4  10  -8 1583.98  133.86
   4 -10  -8 1077.84  207.15
  -7   7  -4  108.47   15.52
  -7  -7  -4  136.02   13.89
   7   7   4  141.24   11.44
   6  14  -2  533.29   40.02
   2  -1  10   80.36   11.62
  -2   1 -10   92.74   19.23
   2   1  10   84.61   10.10
   1  -5  10   30.50    6.11
  -1  -5 -10   36.13    6.92
  -1   5 -10   46.20    8.37
   1   5  10   34.46    6.75
  -5   1  -8   86.55   12.28
   5  -1   8   81.98   12.56
  -5  -1  -8   94.71   10.03
  -3 -16  -5   55.12    7.11
   3  16   5   68.08    7.53
   2  14   7   17.85    5.37
  -2  14  -7   15.53    3.86
  -2 -14  -7   14.07    7.60
  -8   4  -2  400.68   39.34
   8   4   2  542.53   39.23
  -8  -4  -2  470.10   32.99
  -6 -14  -1   -2.21    6.61
   6  14   1    8.00    4.26
   7   9   3 1393.69   74.40
  -7  -9  -3 1272.51   67.64
   4  13   6    5.75    6.13
  -4  13  -6    1.50    4.71
  -4 -13  -6   -1.65    7.98
   2  17   5 1581.88  135.61
  -2 -17  -5 1423.30   99.42
  -2  18  -4 1116.45  148.09
  -2  18  -4 2246.03   83.36
   6   7  -7  846.15   36.20
   6   7  -7 1099.98  105.62
  -7 -11  -1  587.30   38.84
   7  11   1  610.37   35.03
   8   2  -4  957.85   44.07
   8   5  -3  858.90   62.53
   3  19   0   26.84    4.06
   5  15   3 1642.03   93.52
  -5 -15  -3 1671.69  202.72
  -5 -14  -4 2622.90  306.08
   2  19  -3 2422.26  285.14
   2 -10  -9   69.20   12.16
  -2  10   9   49.65   12.75
   2  10  -9  102.78   17.59
   2   2  10 1083.79   80.95
  -2   2 -10 1148.64  177.76
   5  -2   8 1489.21   59.93
   5   2   8 1476.89   71.11
  -5  -2  -8 1196.21  105.11
  -1 -10  -9  110.74   14.73
   1  10   9  130.07   13.91
  -1  10  -9  173.99   22.16
   0  20   2  636.65  139.95
   0  20  -2  770.23   79.69
  -5  -8  -7   58.15    7.82
   5   8   7   63.94    9.39
  -5   8  -7   56.39    8.68
  -8   6  -1  145.56   24.59
  -8  -6  -1  203.82   17.57
   3  -3 -10   99.10   17.95
   3   3 -10  102.63   18.84
   7  -5  -6   19.57    4.24
   7  -5  -6   19.31    4.06
   7   5  -6   19.30    4.12
   4  11   7 1217.49   72.66
  -4 -11  -7  998.83   55.55
   3  18   3   51.80    6.80
  -3 -18  -3   57.27    7.22
  -6  -7  -6  114.02   13.51
  -6   7  -6  109.84   18.68
   6   0  -8  678.06   34.93
   6   0  -8  955.94  161.38
   7   4   5   10.82    5.93
   7  -4   5    3.07    4.00
  -7  -4  -5   -1.79    6.61
  -7   4  -5    4.63    4.36
   5  15  -4   68.22    8.75
   4  18   0  777.24   57.67
   6   1  -8   11.29    3.68
   6  -1  -8   14.91    4.02
   6  -1  -8   13.39    4.88
  -4   8  -8  703.70   90.66
  -4  -8  -8  665.45   47.73
   4   8   8  829.48   78.93
   2  12   8 1366.91  108.95
  -2  12  -8 1320.49  198.13
   3  14  -7   37.74    6.47
   3  14  -7   21.19    4.56
   0  18  -5    7.07    3.87
   0  18  -5   13.37    6.05
   0  18   5    0.19    2.93
   0 -18  -5   -1.97    4.00
   5  14  -5  120.01   12.43
   8   7  -1  427.67   20.56
   4  18  -1   11.84    4.01
   7   8  -5   50.19    6.44
   5   0  -9    8.85   10.09
   8   3  -4   49.72    5.97
   8  -3  -4   35.29    6.04
   3   9  -9  412.97   41.45
  -3 -13  -7 1624.44  131.51
   3  13   7 2035.26  135.25
  -3  13  -7 1563.89  337.76
  -1  15  -7  757.04   92.46
  -1 -15  -7  618.72   58.44
   1  15   7  620.02   96.36
   3  19   1  577.76   54.61
   5  -1  -9 1450.91  161.18
  -4 -16  -4  983.39   49.11
   2   9   9  344.84   44.22
   6  10  -6  245.78   17.55
  -8  -7   0    6.95    3.04
   6   0   7    4.48    5.24
  -6   0  -7    0.01    5.93
  -4   0  -9    6.12    7.80
   2   3  10  260.28   19.99
   2  -3  10  246.20   31.88
  -2  -3 -10  268.10   21.77
  -2   3 -10  274.11   47.53
  -5  -3  -8   43.75    6.36
   5   3   8   49.20    6.80
   5  -3   8   40.37    8.74
   1  20  -2  333.96   24.01
   1  13   8  200.77   22.54
   3  12  -8 2216.87  212.00
  -8   0  -3    8.99    5.75
   8   0   3    4.55    4.46
   6   2  -8  925.35  101.26
   6   2  -8  566.93   35.07
   6  -2  -8  641.27   29.52
   6  -2  -8  849.76  131.74
   1 -18  -5    3.60    2.68
   1  18  -5    9.26    4.60
  -5 -11  -6  104.01    9.66
  -5  11  -6   85.14   15.53
   5  11   6  131.77   15.47
   6   1   7 2648.50  174.55
  -6  -1  -7 2227.32  135.39
  -6   1  -7 2318.94  285.28
   4   1   9 2567.14  133.54
  -4   1  -9 2253.43  222.92
  -4  -1  -9 2062.74  327.16
   4  -7  -9  920.43  166.99
   8   1   3 1793.08  117.14
  -8  -1  -3 1424.49   90.86
   8  -1   3 1789.27  140.77
  -8   1  -3 1418.17   97.81
   8  -5   2   17.56    4.24
   8   5   2   18.32    4.79
   0 -19  -4   86.45   10.41
   0  19  -4  100.07   15.94
   2  13  -8   30.51    6.31
   2 -13  -8   15.43    4.90
   5   8  -8 1426.91  121.21
   5   8  -8 1004.15   41.37
   6  10   5    3.49    4.80
  -6 -10  -5    9.44    4.60
  -6  10  -5   -0.06    4.62
   2  16   6 1106.19  139.04
  -2 -16  -6 1084.19   46.53
  -2  19  -3  592.05   81.37
   2  19   3  757.14   93.20
  -2 -19  -3  858.66  116.92
   5   2  -9  129.11   20.94
   5  -2  -9  138.88   25.40
  -3  -7  -9  675.31   85.59
  -1  20  -2  315.10   30.69
   1  20   2  310.86   57.36
   2 -15  -7  514.09   67.29
   2  15  -7  619.68   36.18
   2  15  -7  848.82   89.05
  -5 -16  -2 1058.30   71.33
   5  16   2 1105.89   52.31
   1  -7 -10    9.25    5.82
   1   7 -10   17.39    7.69
   3   4 -10 2733.01  381.09
  -1  -6 -10 1583.31  138.19
   1   6  10 1649.48  173.99
   6  13   3 1326.79   56.65
   4  18   1    7.07    4.72
   0   7 -10   81.85   10.88
   0   7  10   64.85    9.89
   0  -7 -10   65.93   13.44
   2  20   0  742.79   85.81
  -4 -17  -3 1516.42  139.30
   4  17   3 1530.04  116.68
  -6  -2  -7   -3.97    8.85
  -6   2  -7   -2.40    8.77
   6  -2   7   -1.74    7.04
   4   2   9   16.08    6.24
   4  -2   9    3.93    3.83
  -4   2  -9    1.54    6.44
   8   7  -2  269.07   16.52
   3  15   6  247.53   23.05
  -3 -15  -6  228.51   16.27
  -5 -13  -5 1061.40  117.24
   0 -17  -6   18.48    5.27
   0  17  -6   25.63    6.98
   0  17   6   21.19    5.98
   0  17  -6   19.32    2.89
   8   2   3  888.53  111.03
   8  -2   3  828.84   84.00
  -8   2  -3  678.06   59.21
  -8  -2  -3  742.25   50.60
   1  11  -9  791.10   78.59
   1 -11  -9  506.27   76.08
   0  11  -9  764.57   80.68
   0  11   9  554.85   66.10
   8   6  -3   55.44    7.85
   1  19  -4  250.45   16.29
   1  19  -4  240.57   47.03
   3  19  -2   39.47    7.09
   7  11  -3  792.88   34.82
  -4 -15  -5 1876.32  109.71
   5  16  -3   52.62    7.92
   3  17  -5  791.88   76.98
   7  10  -4 1744.28  126.59
   6  -3  -8  191.98   12.72
   6   3  -8  190.48   14.80
   6   3  -8  281.44   38.10
   6  -3  -8  258.09   40.06
   8   4  -4  276.62   18.54
   8  -4  -4  209.34   46.04
  -7   5  -5  194.81   23.63
   7   5   5  306.18   21.34
   7  -5   5  240.48   31.36
  -7  -5  -5  225.13   31.31
   1  17  -6   -0.42    4.64
   1 -17  -6    1.63    2.06
   1  17  -6    4.81    9.13
   5  11  -7 1021.82  106.59
   5  11  -7  783.10   42.11
   7  -8   4  912.22  176.44
  -7   8  -4  812.22   97.53
  -7  -8  -4 1128.45   66.96
   6  12  -5   23.19    4.21
   6  14  -3   12.70    6.00
   4  18  -2  194.77   15.81
   7   6  -6  406.49   24.60
   4  13  -7  363.89   54.60
   4  13  -7  297.30   20.15
  -2  -4 -10 2778.17  371.23
   2   4  10 2709.11  198.24
  -5   4  -8  311.42   48.50
  -5  -4  -8  338.28   26.35
   5  -4   8  370.65   27.23
   7  12  -1  271.90   15.96
  -1  18  -5   27.52    4.30
  -1  18  -5   14.38    4.16
  -1 -18  -5    9.45    3.45
   1  18   5   17.19    4.01
   5  -3  -9  630.71   80.45
   5   3  -9  643.77   68.81
  -6 -14  -2 1649.69   71.11
   6  14   2 1663.90   91.63
  -7 -12   0 1431.79   87.10
   7  12   0 1361.72  100.55
   6   8  -7  167.02   11.80
  -6 -12  -4 1900.01   87.77
   6  12   4 2016.92  121.67
   3  18  -4 1392.71   74.43
   2  20   1    3.86    3.61
   8   7   1  442.85   57.98
  -8  -7  -1  405.77   53.12
  -6  -3  -7  253.98   20.83
   6   3   7  270.11   21.46
   6  -3   7  299.36   39.58
  -6   3  -7  227.17   35.96
   3  11   8    2.12    4.98
  -3 -11  -8    6.37    3.85
  -3  11  -8    1.22    4.01
   4   3   9  403.07   34.69
  -4   3  -9  356.86   40.55
  -4  -3  -9  360.37   35.07
   4  -3   9  362.16   28.10
  -7 -11  -2    2.08    4.70
   7  11   2   12.39    8.43
  -8  -3  -3  646.57   38.14
   8  -3   3  682.85   79.47
  -8   3  -3  602.76   34.28
   4  16  -5  180.74   17.71
  -1 -19  -4   75.45    7.60
   1  19   4   73.34   12.43
  -1  19  -4   67.25    9.52
  -6  -8  -6  795.78   56.31
   6  -8   6  722.88   85.64
  -6   8  -6  609.32  101.10
   6   8   6  986.55   58.92
   3  16  -6  710.53   36.43
   4  17  -4  352.27   24.94
  -7 -10  -3   22.81    4.32
   7  10   3   27.64    4.60
   3   5 -10   69.36    9.48
   8   6   2  707.88   46.60
  -8   6  -2  439.68   74.24
   8  -6   2  543.73  110.05
  -8  -6  -2  660.16   73.15
   4  11  -8  142.00   13.02
   6   4  -8  863.39   97.70
   6  -4  -8  544.21   42.10
   6   4  -8  578.34   34.80
   6  -4  -8  778.03  122.63
  -3 -19  -2   14.49    6.03
  -5   9  -7 1079.45  166.23
   5   9   7 1552.90   98.73
  -5  -9  -7 1272.16   61.18
   8   8  -1  161.17   10.81
   2   7 -10  184.05   32.14
   6  15  -1  903.08   41.48
   7  12  -2   94.16    8.70
   6  15   0   79.34   12.11
  -1 -17  -6   12.74    3.73
  -1  17  -6   21.02    4.83
   1  17   6   13.03    3.27
   5  17   0   -3.14    7.68
   0  20   3  124.71   28.26
   5  -4  -9   49.86    9.86
   8  -5  -4   13.65    2.76
   8  -5  -4   21.90    3.15
   2  18  -5  204.03   14.17
   5  17  -1  896.45   50.25
   4  -9   8   21.43    4.61
  -4   9  -8   21.24    4.35
  -4  -9  -8   17.65    4.78
   4   9   8   24.11    5.60
   8   8   0  876.97   66.79
  -8  -8   0  878.69  132.30
   7   0  -7    2.79    2.77
   7   9  -5  417.77   29.86
   2  11  -9  927.02  129.53
   2 -11  -9  605.05  104.92
  -2  11   9  500.39  111.19
   6  -4   7   90.22   15.62
   6   4   7  117.49   15.28
  -6   4  -7   83.94   15.62
  -6  -4  -7   91.47   13.46
   7   1  -7  495.53   31.78
  -4   4  -9   13.59    5.96
  -4  -4  -9   18.69    8.41
   4   4   9   22.98    8.54
   4  -4   9   32.48    6.27
   0  14  -8  632.25   73.38
   0  14   8  434.91   68.75
  -2   5 -10    8.36    4.48
  -2  -5 -10    7.19    7.49
   2   5  10   13.52    7.87
  -1  -7 -10  104.69   17.72
   1   7  10  118.88   16.80
  -5   5  -8    6.03    5.82
  -5  -5  -8    8.06    3.86
   5  -5   8   19.40    5.38
   5   5   8   12.80    4.16
   2  20  -2  289.64   27.23
  -1 -11  -9  820.43  151.71
   1  11   9 1029.32  110.54
   4   8  -9   35.83   10.05
  -8  -4  -3    6.12    4.10
   8   4   3   12.72    4.72
   8  -4   3    1.03    2.88
  -8   4  -3    4.54    2.37
   7  12   1    1.96    4.77
  -7 -12  -1   -9.37    6.85
   1 -14  -8  303.62   57.85
   1  14  -8  533.57   57.23
  -1  14   8  321.92   58.67
   7   6   5   39.54    7.39
  -7  -6  -5   32.04    6.34
   7  -6   5   32.71    6.00
   4  15  -6   20.32    6.67
   4  15  -6    2.36    3.00
   4  18   2 1626.83  148.56
  -4 -18  -2 1715.92  160.31
   3   8   9    9.40    6.92
  -3  -8  -9   24.90    5.77
   8   7  -3 1248.77   82.10
   1  -8 -10 2225.34  358.25
   8   0  -5    3.32    3.83
   1  20  -3  196.64   18.00
  -2  10  -9  196.33   44.03
  -2 -10  -9  156.04   35.90
   2  10   9  213.63   28.44
   0   8 -10 1466.22  172.72
   0  -8 -10 1073.73  135.35
   8  -1  -5  643.22   56.76
   8   1  -5  734.62   45.65
   7  -2  -7   16.05    4.26
   7   2  -7   16.31    4.35
   4  12   7  203.81   22.54
  -4  12  -7  159.36   31.11
  -4 -12  -7  168.37   19.36
   5   9  -8   41.04    8.46
   5  -9  -8   36.71    8.54
   5   9  -8   54.95   12.53
   8   8  -2  814.19   52.16
   2  19  -4   85.42   13.95
   2  17  -6   44.73    7.58
   2  17  -6   46.74   11.23
  -4 -14  -6 1066.71   68.91
   4  14   6 1231.12   91.22
   0  16   7  226.96   36.69
   0 -16  -7  245.56   19.76
   7   7  -6   68.57   10.07
   6  11  -6   19.97    4.62
   6  15  -2  109.66   16.22
  -1  16   7   17.27    5.31
   1  16  -7   24.82    5.26
  -5 -17  -1 1796.31  168.85
   5  17   1 1730.71  239.77
  -2 -15  -7 1314.20   76.08
   2  15   7 1390.56  150.59
  -2  15  -7 1412.99  230.47
   3  19  -3  512.32   35.71
   6   5  -8    0.40    4.73
   6  -5  -8    8.78    5.27
   6  -5  -8    1.91    2.45
   6   5  -8    3.48    4.27
   6  15   1  800.53   61.97
  -6 -15  -1  804.77   65.31
   4   1 -10   16.05    6.13
   8   2  -5   10.45    3.12
   8  -2  -5    3.05    3.90
  -1  20  -3    4.14    2.29
  -1  20  -3    9.47    4.44
   5  17  -2   55.52    9.22
  -2  13  -8    1.30    8.94
   2  13   8   -1.61    6.58
   3   6 -10 1065.13  175.75
   6  11   5 1436.32  115.51
  -6  11  -5  669.30  172.06
  -6 -11  -5 1177.21   82.63
  -5 -15  -4   48.21    8.99
  -7   9  -4   13.11    5.14
  -7  -9  -4   25.75    7.68
   7   9   4   15.63    5.61
   5  -5  -9  362.74   57.48
   5   5  -9  409.89   46.55
   5  12   6 1677.64  135.98
  -8  -8  -1  168.86   17.56
   7  -3  -7  590.31   65.33
   3  18   4 1399.48  160.96
  -3 -18  -4 1404.80  107.45
   4   2 -10  754.64  125.18
  -5 -16  -3   28.04    6.90
   5  16   3   23.63   10.83
  -6  -5  -7  416.30   34.82
   6  -5   7  419.83   48.31
   6   5   7  543.96   44.25
  -6   5  -7  379.97   54.77
   4  -5   9  263.35   34.46
  -4   5  -9  265.54   38.44
   3  17   5  814.80  113.25
  -3 -17  -5  752.19   59.07
   3  13  -8   17.57    6.39
  -8  -5  -3  235.70   20.37
   8  -5   3  239.27   43.39
  -8   5  -3  216.10   20.65
   8   7   2  129.53   19.31
   6   9  -7  485.49   32.54
   0  21  -1  269.86   58.52
   8   6  -4  530.41   37.34
   3  14   7    9.09    6.98
  -3 -14  -7   -0.20    7.46
  -3  14  -7    3.16    3.17
   7  11  -4  111.71   17.00
   7   0   6 2020.72  195.32
  -7   0  -6 1610.01  120.11
   3   0  10 1630.88  136.13
  -3   0 -10 1589.79  131.37
   8  -3  -5  286.35   39.60
  -2  -6 -10  812.93  105.05
   2   6  10  890.67  107.25
  -5   6  -8  379.18   55.85
   5   6   8  503.04   48.43
  -5  -6  -8  408.14   36.24
   3  15  -7  285.54   26.93
   3  15  -7  387.67   39.19
  -1 -14  -8  777.75   70.79
   1  14   8  824.99   99.90
  -1  14  -8  982.89  111.32
   5  15  -5  959.53   70.09
   1  21   0   81.83   14.72
   1  12  -9   20.75    5.28
  -1  12   9   -0.42    3.60
   1 -12  -9   10.61    4.19
  -7   1  -6   10.55    6.97
   7   1   6    2.08    4.47
  -7  -1  -6   10.87    5.90
  -3   1 -10   28.41    7.56
   3  -1  10   28.81    7.41
  -3  -1 -10   21.69    7.70
   0 -12  -9  161.79   34.41
   0  12  -9  270.38   46.47
   7  12  -3   80.87   13.71
   5  16  -4  542.98   43.07
  -2  18  -5   10.58    3.74
   2  18   5    8.35    5.66
  -2 -18  -5   10.82    3.94
  -6  -9  -6   13.40    5.77
   6  -9   6   -2.61    5.97
   6   9   6   -6.43    8.34
   2  14  -8 1966.41  200.95
   2   8 -10 1676.29  197.10
   5  12  -7   15.31    6.37
   5  12  -7   10.13    3.65
  -7   7  -5  652.16   85.05
   7   7   5  960.08   65.47
   7  -7   5  683.15  128.48
   4   3 -10   36.63   11.62
   4  -3 -10   13.40    5.39
  -2  19  -4   38.91   11.78
   2  19   4   39.77    8.47
  -2 -19  -4   38.21    8.04
   8   9  -1  365.13   26.52
   1  16   7   -1.47    5.03
  -1 -16  -7   15.00    5.80
  -1  16  -7    2.90    4.57
  -6 -14  -3    8.28    5.92
   6  14   3   20.14    6.76
  -7  -2  -6  753.46   69.74
   7   2   6  932.20   97.62
   1  21  -1  231.91   21.19
   3  -2  10 1202.45  128.77
  -3  -2 -10 1089.71  135.16
  -3   2 -10 1180.46  189.57
   7  -4  -7    6.49    3.40
   7   4  -7    1.65    3.15
   7  -4  -7    1.05    2.44
   7   4  -7    4.10    4.03
  -1  -8 -10  384.48   51.53
   1   8  10  435.91   45.93
  -5  14  -5   28.92    6.75
  -5 -14  -5   37.19    8.76
   6  13  -5 1024.32   67.59
  -5 -10  -7   71.49   19.28
   5  10   7  102.62   14.87
  -5  10  -7   83.87   15.72
   5 -10   7   70.00   16.16
   8   9   0   -3.78    6.69
  -8  -9   0   -4.67    7.05
  -8   0  -4  255.53   20.73
   1  21   1  500.78   85.73
   3  12   8 1893.30  225.56
  -3 -12  -8 1579.93  133.51
  -7 -12  -2  719.98   54.15
   7  12   2  720.47   60.43
   6   6  -8  732.43   63.37
   6  -6  -8  374.95   67.30
   6   6  -8  496.03   33.82
   7  11   3  940.07   65.30
  -4 -17  -4   -4.82    7.10
   8   8  -3    6.13    3.72
   3  20   0  594.34   65.49
   8  -1   4    5.90    7.29
   8   1   4    5.73    5.07
  -8  -1  -4    8.66    5.56
   7  13   0    7.78    4.73
  -3 -19  -3 1057.63   93.26
   3  19   3 1063.21  132.45
   4  -9  -9  546.16  107.81
   2  20  -3    5.95    5.81
   6  13   4   19.61    6.35
  -6 -13  -4   -0.53    7.57
   4  10   8  879.88   72.58
   2  16  -7   11.80    3.86
   8  -4  -5   57.27   14.54
   4  14  -7    1.46    3.47
   4  14  -7   11.41    5.68
   4  19   0   -5.93    6.23
   7  10  -5   51.89    8.98
   5  -6  -9   85.34   22.74
   3  20  -1    9.25    5.21
  -3  -9  -9  388.82   45.40
   3   9   9  465.19   41.42
   1  -9 -10    6.23    5.59
  -1   9  10    2.14    4.27
   1   9 -10   11.51   11.59
   7   8  -6  221.29   18.46
   0  19  -5  252.25   25.15
   0  19   5  261.46   46.26
   0  19  -5  337.91   60.76
   3  16   6  643.45   59.78
  -3  16  -6  493.79  109.15
  -3 -16  -6  572.29   52.33
   4  19  -1  670.30   63.66
  -2 -17  -6   -1.41    6.36
   4  12  -8  415.56   32.18
  -7  -3  -6   18.31    5.22
  -3   3 -10  179.17   33.24
   3  -3  10  172.87   17.93
  -3  -3 -10  167.59   29.56
   6  15  -3  158.04   19.79
   0   9 -10   18.51    6.94
   0   9  10    1.55    7.69
   0  -9 -10    7.66    5.78
   1  -2 -11   87.15   17.54
  -5 -17  -2   80.02   12.43
   5  17   2   83.90   14.18
   8   2   4  728.72   55.84
  -8  -2  -4  555.01   46.61
   3  -7 -10  202.03   49.39
   3   7 -10  278.82   32.98
  -6  -6  -7   32.80    6.88
   6   6   7   42.85    8.11
   6  -6   7   34.17    7.07
  -4 -16  -5   82.72   15.10
  -4  16  -5   58.68   14.08
  -4  -6  -9   -2.12    8.16
   4   6   9   11.91    6.28
  -4   6  -9    9.39    9.82
   5  14  -6  354.47   28.39
   8   9  -2    1.09    3.57
   8   6   3  171.42   25.55
  -8   6  -3  124.98   20.31
  -8  -6  -3  160.44   16.27
   0  21  -2  102.00   17.36
   4  -4 -10 1392.77  212.92
   4   4 -10 1595.34  182.55
   6  15   2   61.27   11.60
  -6 -15  -2   56.42    9.29
   0  -2 -11  233.69   37.75
   0   2 -11  219.73   48.07
   0  -2  11  175.14   24.96
   1  19  -5  106.70   17.63
   5  17  -3  128.60   21.32
   5  10  -8 1006.54   60.50
   5  10  -8 1417.21  157.45
   3  20   1  161.06   20.78
   8   7  -4   40.76    7.49
   7  13  -2   67.81   10.62
  -4 -18  -3   -3.47    7.33
   4  18   3   18.78    6.41
   3  11  -9 1017.37  137.51
   3 -11  -9  618.35  128.50
   2 -12  -9    0.10    3.27
   2  12  -9    5.77    6.52
  -2  12   9   -3.58    4.50
   0  18   6  450.87  114.29
   0  18  -6  609.32  107.70
   0 -18  -6  507.75   44.32
   0  18  -6  494.99   45.10
  -1 -12  -9  365.39   54.39
  -1  12  -9  523.55   65.41
   1  12   9  440.87   52.07
  -2 -11  -9  603.89   73.17
   2  11   9  703.46   97.83
   7  -5  -7  834.28  123.94
   7   5  -7 1415.72  149.66
   7   5  -7 1075.10  137.96
   2  -7  10  151.97   27.52
   5  -7   8   56.59    9.70
   5   7   8   74.64   13.66
  -5   7  -8   39.13   11.21
  -5  -7  -8   51.44   11.16
   3  18  -5   -3.94    6.37
   3  18  -5   20.42    6.92
  -8  -8  -2  617.23   46.50
   8   8   2  685.11   56.30
   0  20  -4  460.73   56.39
   4  19   1  973.60  108.31
   8  -3   4    2.50    7.68
  -8   3  -4   -0.14    5.47
  -8  -3  -4    2.57    5.22
   8   3   4   -0.14    7.13
  -8  -9  -1  485.80   44.40
   8   9   1  481.57   33.91
   1  21  -2    0.99    3.50
   1  18  -6  101.00   19.27
   1  18  -6   77.05   12.11
  -2 -20  -3  150.58   31.49
   7  13   1 1006.54   72.16
  -7 -13  -1 1056.32   94.88
   2   0 -11   27.17    8.04
   0  -3 -11  672.96   62.71
  -7 -10  -4  815.76   77.23
  -7  10  -4  476.50   99.42
   4  17  -5  898.37   61.58
   7   4   6  224.36   27.02
  -7   4  -6  184.08   21.86
  -7  -4  -6  207.36   19.36
  -3   4 -10  577.57   68.38
  -3  -4 -10  507.93   56.35
   3  -4  10  534.47   49.03
   2  -1 -11 1707.21  317.87
   1  20  -4  706.16   53.25
   3  20  -2  154.39   17.74
  -1  21  -2   19.92    4.03
   1  21   2   26.52    6.78
   6  12  -6  487.27   37.36
   4  19  -2    7.37    3.63
  -4 -13  -7 1127.32  116.05
  -4  13  -7  944.58  221.29
  -1  19  -5  855.11  178.70
   1  19   5  837.92  129.66
  -1  19  -5  694.47   75.34
   6  10  -7    9.12    5.70
   6  10  -7    4.94    3.14
   3  17  -6   38.46    7.72
   3  17  -6   64.63   15.03
   6  16  -1    9.76    4.23
   7   8   5   47.34   10.06
  -7   8  -5   36.80    6.40
   7  -8   5   29.77    6.90
  -7  -8  -5   31.98    6.73
   2  21   0    9.60    6.60
   6  16   0  768.78   51.48
   0  15  -8  185.27   39.50
   0 -15  -8  147.62   24.19
   0  15   8  126.82   30.12
   6   7  -8   79.47   13.70
   6  -7  -8   53.89   10.00
   6   7  -8  140.25   22.75
   1  15  -8  211.71   40.97
   1 -15  -8  133.53   23.54
  -1  15   8  128.03   29.82
   2  -9 -10   92.97   14.69
  -2   9  10   77.30   17.03
   2   9 -10  151.08   23.09
   3  19  -4   33.93    5.55
   4   5 -10   22.18   12.31
   2   2 -11    4.83    6.66
  -6  12  -5   18.56    6.09
  -6 -12  -5   33.19    7.51
   6  12   5   47.12   10.04
  -1   0 -11    4.49    6.17
   4  18  -4  691.71   45.60
   9   0  -1    3.94    3.43
   2  21  -1  272.97   32.70
   1   1  11  268.27   24.07
  -1  -1 -11  298.65   31.82
   6 -10   6  835.81  155.80
   6  10   6 1355.52   81.18
  -6  10  -6  756.61  155.14
  -6 -10  -6 1139.97   68.80
   5   7  -9 1237.77  122.66
   1   4 -11    9.97    9.61
  -8   4  -4  521.52   39.73
   8  -4   4  593.46   77.21
   8   4   4  701.27   63.13
  -8  -4  -4  557.15   44.56
   9   1  -1  495.19   69.51
   9  -1  -1  456.11   76.83
   4  16  -6  866.66  163.75
  -1  -9 -10   14.92   12.33
  -1   9 -10    9.99    8.02
  -4 -15  -6    5.26    5.24
   4  15   6   22.44    6.99
   5  13   6    2.60    5.46
  -5 -13  -6    5.19    5.20
  -6  -7  -7  847.40   76.34
   6  -7   7  859.04  115.91
   1  20   4  600.48   97.24
  -1  20  -4  490.45   62.58
  -1 -20  -4  584.81   81.80
  -4  -7  -9  772.93   71.28
  -4   7  -9  828.59  118.83
  -1  18  -6 1506.69  279.31
  -1  18  -6 1196.99   89.82
  -1 -18  -6 1404.32   85.39
   1  18   6 1403.23  195.99
   0   4  11    7.82    6.96
   0  -4 -11    8.60    4.94
   0   4 -11   21.13    8.77
   5  18   0  886.22   97.79
   8  10  -1   19.28    4.65
  -8  -7  -3  534.98   49.39
  -8   7  -3  386.76   44.57
   7  12  -4  914.96   52.20
   8   9  -3  690.20   42.84
   5  18  -1    5.01    3.25
  -2 -14  -8 1045.57   78.68
  -2  14  -8 1229.21  205.93
   9  -1   0   14.04    5.77
   9   1   0   20.16    4.57
  -1  -2 -11    3.56    5.59
   2   3 -11  490.72   73.13
   8  10   0  351.25   23.38
   3   8 -10  381.27   43.26
   7   6  -7   -2.60    5.72
   9  -2  -1   14.13    4.85
  -7  -5  -6    5.19    3.81
   7  -5   6    8.48    6.32
  -7   5  -6    5.98    7.36
  -3   5 -10   26.68   10.62
  -3  -5 -10   13.42    5.62
   3  -5  10    7.25    6.53
   3  20   2  760.93   84.47
   2  19  -5  445.21   41.46
   2  19  -5  449.96  103.16
   6  16  -2  496.61   43.77
   7   9  -6   11.47    4.42
   3  14  -8  866.95   58.51
   3  14  -8 1263.81  133.64
   9   0  -2  104.27   17.85
   2  16   7   25.24    6.00
   4  10  -9   22.74    7.72
  -1  13   9  146.25   35.62
   1  13  -9  267.57   30.33
   1 -13  -9  150.70   35.65
  -6 -16  -1  210.54   21.58
   6  16   1  223.81   26.69
   0 -13  -9  141.94   27.03
  -5  11  -7  693.29  138.01
  -5 -11  -7  827.55   74.77
   7  13  -3  376.58   26.39
   0  17   7 1024.30  193.16
   9  -2   0  527.90   75.51
   9   2   0  592.87   55.28
   9   1  -2    6.28    5.26
   9  -1  -2    5.18    4.36
  -3 -10  -9   -0.29    7.42
   3  10   9   -3.47    9.07
   8   8  -4 1582.42   78.28
   1 -10 -10 1592.54  226.79
   1  10 -10 2296.50  398.04
  -1  10  10 1415.40  193.71
   1  17  -7  673.39   52.83
   1  17  -7  869.34  116.61
   1 -17  -7  588.19   53.82
  -4 -19  -2   17.67    4.45
   2  18  -6  301.01   21.33
   2  18  -6  414.66   48.22
   0  10  10 1317.46  164.27
   4  11   8    3.27   10.49
  -4 -11  -8    4.14    9.62
   8  -1  -6   24.61    5.11
   8   1  -6   30.18    6.95
   8  -1  -6   27.62    7.89
   8   1  -6   21.55    5.43
   3  15   7 1347.28  132.00
  -3  15  -7 1090.96  247.88
  -3 -15  -7 1202.62  100.10
  -2  -8 -10  479.47   86.20
   5   8   8 1129.64  135.78
   5  -8   8  832.65   92.33
  -5   8  -8  783.83  109.22
   8  10  -2  182.45   13.62
   1   3  11  909.59   90.80
  -1  -3 -11  982.65  100.22
   0  21  -3  472.47  105.87
   7  11  -5  866.68   50.72
  -7 -12  -3   86.77   15.49
   7  12   3   87.28   16.73
   9   3  -1 1020.24  156.44
   9  -3  -1  789.31  163.22
  -1  15  -8  113.14   23.15
   1  15   8   84.67   18.95
  -1 -15  -8   91.18   15.45
   6   0  -9    5.97    3.65
   9  -2  -2  389.55   81.03
   9   2  -2  457.45   65.89
   5  18   1   32.72    7.43
   1   5 -11  738.62  124.13
   8   5   4    0.87    5.58
  -8  -5  -4    4.40    3.59
   8  -5   4    0.55    6.44
  -8   5  -4    1.12    2.84
   3  13   8    5.43    7.19
  -3 -13  -8   10.39    7.95
   2  21  -2    8.31    4.58
   6   1  -9  558.25   58.64
   6  -1  -9  616.72   36.08
   7  13   2    4.70    5.92
  -7 -13  -2   21.17    5.33
   8   9   2   30.34    9.76
  -8  -9  -2   23.66    7.61
   2  15  -8   78.16   14.27
  -2  15   8   22.34    8.10
   5  18  -2  435.13   36.29
   8   2  -6  694.16   38.33
   8  -2  -6  633.00  123.72
   2  -4 -11   -8.47    7.87
   2   4 -11    8.88    5.40
  -5 -17  -3  426.13   32.95
   5  17   3  457.31   37.74
   6  15  -4   18.81    5.84
  -5   0  -9   22.95   13.75
   5   0   9   -1.36    8.49
   3  16  -7   91.84   14.75
   3  16  -7   64.20   10.79
   9  -3   0  157.29   34.20
   9   3   0  175.14   17.47
   0   5  11 1279.50  136.03
   0  -5 -11 1443.19  157.54
   5  16  -5    5.19    5.39
   2  20  -4 1111.92  243.44
   2  20  -4 1307.01   78.11
   6  14  -5   39.16    7.60
   9   0   1    1.22    3.80
  -9   0  -1    4.40    4.71
  -5   1  -9 2169.14  185.51
   5   1   9 2363.22  205.39
  -5  -1  -9 2115.03  220.93
   1  21  -3  538.29   98.76
   1  21  -3  566.51   57.24
   5  11  -8   46.90    8.60
   5  11  -8   67.00   16.67
   7  14  -1   -2.87    4.28
   6  15   3  868.60   62.27
  -6 -15  -3  770.44   44.20
   9  -1   1  670.29   86.79
  -9  -1  -1  666.14   62.65
  -9   1  -1  595.02   62.21
   9   1   1  715.80   69.63
  -8 -10  -1   31.11    8.76
   8  10   1   40.79    8.36
   4  19  -3  467.63   31.79
  -6   0  -8  975.06   91.52
   7  14   0 1150.72   88.15
   6   2  -9   23.28    5.16
   6  -2  -9   48.00    9.90
   6   2  -9   38.52    9.51
   3  18   5    5.45    4.44
  -3 -18  -5    4.49    3.98
  -5 -15  -5  959.95   50.09
   4  13  -8   20.06    4.53
   3  20  -3   67.68   10.82
   6   8  -8  725.68   39.96
  -6 -14  -4  968.44   89.12
   6  14   4 1067.23   62.88
   5  17  -4   69.50   11.62
  -6   1  -8    5.36    5.37
   6   1   8   10.30    4.22
  -6  -1  -8   14.87   10.43
   6  -1   8    6.48    5.47
   9  -3  -2   27.46    6.63
   9   3  -2   43.48    7.50
   3  19   4   12.94    5.56
  -3 -19  -4    6.24    3.83
  -7  -9  -5 1362.43  124.17
  -7   9  -5  964.75  153.49
   7   9   5 1705.41  165.20
   3 -12  -9    7.75    5.42
   3  12  -9   46.96    9.44
  -5  -2  -9   34.97    7.17
   5   2   9    2.98    6.86
  -1  -4 -11   24.07    9.85
   1  -4  11    2.70    5.37
   2  21   2   16.49    4.16
   5  -8  -9   58.96   18.85
   5   8  -9   93.02   15.72
   5   8  -9   76.41   13.75
  -7   6  -6  523.03   50.33
   7   6   6  721.28   70.21
   7  -6   6  527.61   78.24
  -7  -6  -6  561.17   36.27
   3   6  10  788.18   72.48
  -2 -12  -9   15.52    4.85
   8   3  -6  136.00   21.43
   9  -2   1   91.66   16.35
  -9   2  -1   79.93   12.99
  -9  -2  -1  104.23   19.12
   9   2   1  127.62   20.22
   9  -4  -1   21.13    4.96
   4  15  -7  313.39   20.85
   4  15  -7  434.22   69.28
  -1  21  -3  519.45  130.61
   1  21   3  550.40  112.68
  -1  21  -3  489.48   72.04
  -1  17  -7  893.59  188.57
  -7 -11  -4  105.65   16.99
   7  11   4  136.43   24.15
   3   0 -11    9.17    4.56
  -2  13   9  491.95  132.45
   2 -13  -9  566.62  133.82
  -6   8  -7    4.75    4.68
   6  -8   7   -1.98    7.23
  -6  -8  -7    5.37    5.02
   6   8   7    7.02    4.87
   7   7  -7  353.18   25.77
   4   8   9   20.49    9.51
  -4  -8  -9   10.41    6.98
  -6  -2  -8  318.43   26.51
   6  -2   8  348.68   35.66
  -6   2  -8  295.37   36.68
  -1 -13  -9  384.98   43.16
  -1  13  -9  541.94   74.91
   1  13   9  427.04   56.22
  -8  -8  -3   15.42    6.47
   8   8   3   38.69   10.97
   3   1 -11  719.07   95.46
   3  -1 -11  645.19  113.87
  -2  10  10  909.26  162.43
   2 -10 -10 1162.03  182.83
   2  10 -10 1874.52  205.63
  -2  19  -5  392.82   56.66
   2  19   5  645.27   83.60
   9   0  -3    0.09    2.91
   5  15  -6   31.45    8.34
   6  -3  -9  326.32   76.58
   6   3  -9  242.36   22.45
   6   3  -9  385.17   52.11
   9  -4   0  447.06   83.91
   9   4   0  530.47   71.26
   6  11  -7  519.80   54.86
   7  14  -2  246.76   19.68
   9  -1  -3  252.34   51.19
   9   1  -3  295.37   39.00
   5   0 -10  441.38   81.66
   7   0  -8  524.21   27.67
   6  16  -3  117.09   20.40
   2  17  -7  194.42   18.65
   2  17  -7  298.07   36.62
   5   3   9  381.81   34.63
  -5   3  -9  286.45   57.13
   5  -3   9  365.56   40.19
  -5  -3  -9  353.25   41.47
  -1  10 -10  640.26   90.08
  -1 -10 -10  451.92   75.70
   1  10  10  503.92   61.08
   5   1 -10  138.28   28.82
   7  -1  -8   68.62   14.14
   7   1  -8   51.23    8.42
   7  -1  -8   60.18   10.03
   7   1  -8   74.99   16.58
   3   2 -11  152.49   29.44
  -1   6  11   27.96    8.53
   1  -6 -11   18.97    6.89
  -6 -16  -2  528.21   42.37
   8   6   4  703.96   53.40
  -8  -6  -4  608.97   51.81
  -9  -3  -1  292.68   27.91
  -9   3  -1  195.24   33.80
   9   3   1  285.88   28.90
   9  -3   1  252.88   44.84
   3   9 -10  238.94   27.47
   9   4  -2 1021.45   97.11
  -3  17  -6    6.59    4.13
   3  17   6   12.02    5.76
  -3 -17  -6    7.46    4.72
   6  11   6   32.91    8.16
  -6  11  -6   17.56    5.31
   0  22  -1   27.20    5.94
   0  22   1   29.78    7.74
  -7 -14  -1   53.33   11.34
   7  14   1   81.46   16.24
   8  10  -3   22.60    5.55
   6  13  -6    3.34    3.20
  -2 -20  -4  652.96   66.99
   4  17   5  524.19   52.46
  -4 -17  -5  515.16   43.92
   9  -2  -3   -0.11    2.82
   9   2  -3   -0.69    5.72
   6  -3   8  102.21   19.49
  -6  -3  -8  102.12   18.42
  -6   3  -8   84.78   16.50
   6   3   8  119.04   19.99
   0   6  11    9.78    8.38
   8   4  -6  430.54   27.22
   4  -7 -10    6.38    5.29
   4   7 -10    2.62    6.02
   5   2 -10  781.52  121.13
   8  11  -1  348.33   25.38
  -2 -18  -6 1135.69  116.53
   7   2  -8  586.20   69.73
   7  -2  -8  399.89   36.55
   7  -2  -8  511.42  103.44
   1  22   0  217.92   49.49
   8   9  -4   17.88    6.85
   8   0   5    6.81    4.93
  -5 -18  -2  634.07   68.07
  -2   0 -11   -1.67    9.24
   2   0  11   15.92    7.43
   7  10  -6  269.17   20.75
  -4  14  -7   85.68   25.54
  -4 -14  -7  111.58   20.41
   6  13   5  880.82   48.24
  -6 -13  -5  755.68   50.07
   1   5  11 1113.49  144.26
  -1   5 -11 1219.75  202.74
  -1  -5 -11 1102.84  134.02
  -8   1  -5  866.10   55.36
   8  -1   5  953.65  102.81
  -8  -1  -5  863.68   55.35
   8  11   0   18.89    6.15
  -2   1 -11  354.92   46.10
   2  -1  11  343.96   46.26
   2   1  11  328.60   39.12
  -2  -1 -11  322.47   53.93
   2   9  10   26.52    6.98
  -2   9 -10   29.63    9.08
   5   9   8   32.68    8.11
  -5  -9  -8    8.31    7.81
   5  -9   8   16.57    8.94
  -5   9  -8   29.56    8.14
   6   4  -9   46.14    9.79
   6   4  -9   26.57    5.64
   6  -4  -9   42.65   11.37
  -3 -20  -3    5.21    5.65
   3  20   3    6.49    4.59
   3   3 -11  611.63   91.19
   5  18  -3   13.12    4.29
   4  20   0  767.44   84.09
   4  11  -9  653.97  122.67
   0   0   0    0.00    0.00

_diffrn_radiation_probe                 x-ray
_diffrn_radiation_wavelength            0.71073
_diffrn_standards_number                0
_diffrn_standards_interval_time         .
_diffrn_standards_interval_count        .
_diffrn_standards_decay_%               ?
_diffrn_reflns_limit_h_min              -25
_diffrn_reflns_limit_h_max              30
_diffrn_reflns_limit_k_min              -30
_diffrn_reflns_limit_k_max              26
_diffrn_reflns_limit_l_min              -18
_diffrn_reflns_limit_l_max              19
_diffrn_reflns_theta_min                2.454
_diffrn_reflns_theta_max                53.701
_diffrn_reflns_av_unetI/netI            0.072257
_diffrn_reflns_number                   17743
_diffrn_reflns_number_extinctions       0
_diffrn_reflns_number_accepted          17743
_diffrn_reflns_number_rejected          0
_diffrn_ambient_temperature             150(2)
_computing_data_collection              ?
_computing_cell_refinement              ?
_computing_data_reduction               ?
_exptl_crystal_description              ?
_exptl_crystal_colour                   ?
_exptl_crystal_size_max                 0
_exptl_crystal_size_mid                 0
_exptl_crystal_size_min                 0
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F000                     1120
_cell_length_a                          15.3500(5)
_cell_length_b                          13.6196(4)
_cell_length_c                          11.4186(3)
_cell_angle_alpha                       90
_cell_angle_beta                        109.496(3)
_cell_angle_gamma                       90
_cell_volume                            2250.31(12)
_cell_measurement_temperature           150(2)
_cell_measurement_wavelength            0.71073
_cell_measurement_reflns_used           0
_cell_measurement_theta_max             0
_cell_measurement_theta_min             0
_exptl_absorpt_coefficient_mu           1.149
_exptl_absorpt_correction_type          ?
_cell_formula_units_Z                   8
_chemical_formula_moiety                'C9  H12  N5  O3  Zn0'
_chemical_formula_sum                   'C9  H12  N5  O3  Zn0'
_chemical_compound_source               ?
_space_group_crystal_system             monoclinic
_space_group_name_H-M_alt               C12/c1
_space_group_name_Hall                  '-C 2yc'
_space_group_IT_number                  15
_computing_structure_solution           ?
_computing_structure_refinement         'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics           'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material         'WinGX publication routines (Farrugia, 2012)'
_atom_sites_solution_primary            ?
_atom_sites_solution_secondary          ?
_refine_ls_number_constraints           0
_refine_ls_number_restraints            0
;
_shelx_hkl_checksum              25358

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yg_D1Fe
_database_code_depnum_ccdc_archive 'CCDC 2287515'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H33 Fe N15, 2(B F4) [+ solvent]'
_chemical_formula_sum            'C24 H33 B2 F8 Fe N15'
_chemical_formula_weight         761.12

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6977(19)
_cell_length_b                   11.7249(9)
_cell_length_c                   15.229(2)
_cell_angle_alpha                79.371(9)
_cell_angle_beta                 79.491(12)
_cell_angle_gamma                73.371(10)
_cell_volume                     1948.3(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4438
_cell_measurement_theta_min      2.8840
_cell_measurement_theta_max      26.2000

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_F_000             780
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    0.463
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.80573
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?




_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'60 images, ΔΦ 3.0° '
'75 images, ΔΦ 2.0° (2nd orientation)'
;
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20213
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.873
_diffrn_reflns_theta_max         26.165
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7758
_reflns_number_gt                5934
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       MAR
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_atom_sites_solution_primary     'dual space'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  
;
'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'
;




_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0824P)²+0.6640P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7758
_refine_ls_number_parameters     522
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1635
_refine_ls_wR_factor_gt          0.1499
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.33063(3) 0.65509(3) 0.76422(2) 0.04717(15) Uani 1 1 d . . . . .
N2 N 0.5191(2) 0.56862(19) 0.78873(15) 0.0510(5) Uani 1 1 d . . . . .
C3 C 0.6308(3) 0.5660(3) 0.7512(2) 0.0537(6) Uani 1 1 d . . . . .
C4 C 0.7118(3) 0.4677(3) 0.7931(2) 0.0603(7) Uani 1 1 d . . . . .
H4 H 0.795131 0.446399 0.778345 0.072 Uiso 1 1 calc R U . . .
C5 C 0.6465(3) 0.4094(2) 0.85875(19) 0.0545(7) Uani 1 1 d . . . . .
N6 N 0.5294(2) 0.47099(19) 0.85553(15) 0.0496(5) Uani 1 1 d . . . . .
C7 C 0.6563(3) 0.6594(3) 0.6752(2) 0.0754(9) Uani 1 1 d . . . . .
H7A H 0.619263 0.655816 0.624799 0.113 Uiso 1 1 calc R U . . .
H7B H 0.741804 0.645075 0.657722 0.113 Uiso 1 1 calc R U . . .
H7C H 0.624373 0.737474 0.693966 0.113 Uiso 1 1 calc R U . . .
C8 C 0.6833(3) 0.2982(3) 0.9241(3) 0.0764(10) Uani 1 1 d . . . . .
H8A H 0.651036 0.315044 0.984368 0.115 Uiso 1 1 calc R U . . .
H8B H 0.769644 0.272164 0.918716 0.115 Uiso 1 1 calc R U . . .
H8C H 0.653041 0.236071 0.911216 0.115 Uiso 1 1 calc R U . . .
C9 C 0.4223(2) 0.4568(2) 0.90889(18) 0.0476(6) Uani 1 1 d . . . . .
N10 N 0.3178(2) 0.53446(19) 0.88922(15) 0.0512(5) Uani 1 1 d . . . . .
C11 C 0.2371(3) 0.4955(3) 0.9512(2) 0.0564(7) Uani 1 1 d . . . . .
H11 H 0.154381 0.529840 0.956551 0.068 Uiso 1 1 calc R U . . .
N12 N 0.2915(2) 0.4005(2) 1.00430(16) 0.0570(6) Uani 1 1 d . . . . .
N13 N 0.4136(2) 0.3731(2) 0.97820(16) 0.0573(6) Uani 1 1 d . . . . .
C14 C 0.2379(3) 0.3251(3) 1.0772(2) 0.0739(9) Uani 1 1 d . . . . .
H14A H 0.151765 0.354496 1.083239 0.111 Uiso 1 1 calc R U . . .
H14B H 0.265274 0.327023 1.132449 0.111 Uiso 1 1 calc R U . . .
H14C H 0.261195 0.243991 1.063952 0.111 Uiso 1 1 calc R U . . .
N22 N 0.1378(2) 0.7494(2) 0.77623(16) 0.0526(5) Uani 1 1 d . . . . .
C23 C 0.0350(3) 0.7476(3) 0.7513(2) 0.0586(7) Uani 1 1 d . . . . .
C24 C -0.0581(3) 0.8437(3) 0.7799(2) 0.0684(8) Uani 1 1 d . . . . .
H24 H -0.137989 0.862060 0.770332 0.082 Uiso 1 1 calc R U . . .
C25 C -0.0101(3) 0.9058(3) 0.8245(2) 0.0680(8) Uani 1 1 d . . . . .
N26 N 0.1086(2) 0.8465(2) 0.82153(16) 0.0543(6) Uani 1 1 d . . . . .
C27 C 0.0289(3) 0.6548(4) 0.6996(3) 0.0896(12) Uani 1 1 d . . . . .
H27A H 0.074266 0.664586 0.640746 0.134 Uiso 1 1 calc R U . . .
H27B H -0.053548 0.663077 0.693792 0.134 Uiso 1 1 calc R U . . .
H27C H 0.062047 0.576409 0.730727 0.134 Uiso 1 1 calc R U . . .
C28 C -0.0661(4) 1.0153(4) 0.8696(4) 0.1106(17) Uani 1 1 d . . . . .
H28A H -0.056034 0.996554 0.932214 0.166 Uiso 1 1 calc R U . . .
H28B H -0.150409 1.042166 0.864054 0.166 Uiso 1 1 calc R U . . .
H28C H -0.027844 1.077754 0.841340 0.166 Uiso 1 1 calc R U . . .
C29 C 0.2031(2) 0.8740(2) 0.84971(18) 0.0510(6) Uani 1 1 d . . . . .
N30 N 0.31674(19) 0.80996(19) 0.82648(15) 0.0491(5) Uani 1 1 d . . . . .
C31 C 0.3814(3) 0.8613(3) 0.8625(2) 0.0557(7) Uani 1 1 d . . . . .
H31 H 0.464819 0.837871 0.859339 0.067 Uiso 1 1 calc R U . . .
N31 N 0.3369(3) 0.4469(2) 0.56098(19) 0.0681(7) Uani 1 1 d . . . . .
N32 N 0.3092(2) 0.9506(2) 0.90354(18) 0.0601(6) Uani 1 1 d . . . . .
N33 N 0.1917(2) 0.9606(2) 0.89666(19) 0.0672(7) Uani 1 1 d . . . . .
C34 C 0.3392(4) 1.0320(4) 0.9521(3) 0.0863(11) Uani 1 1 d . . . . .
H34A H 0.311113 1.015812 1.015216 0.129 Uiso 1 1 calc R U . . .
H34B H 0.301179 1.113614 0.929551 0.129 Uiso 1 1 calc R U . . .
H34C H 0.424903 1.020211 0.943417 0.129 Uiso 1 1 calc R U . . .
N42 N 0.3585(2) 0.72218(19) 0.61962(15) 0.0528(6) Uani 1 1 d . . . . .
C43 C 0.3646(3) 0.8247(3) 0.5663(2) 0.0652(8) Uani 1 1 d . . . . .
C44 C 0.3630(4) 0.8134(3) 0.4767(2) 0.0755(10) Uani 1 1 d . . . . .
H44 H 0.366771 0.872557 0.427139 0.091 Uiso 1 1 calc R U . . .
C45 C 0.3550(3) 0.7000(3) 0.4752(2) 0.0626(8) Uani 1 1 d . . . . .
N46 N 0.3530(2) 0.64644(19) 0.56256(15) 0.0510(5) Uani 1 1 d . . . . .
C47 C 0.3712(5) 0.9316(3) 0.6017(3) 0.0973(14) Uani 1 1 d . . . . .
H47A H 0.302074 0.955202 0.645655 0.146 Uiso 1 1 calc R U . . .
H47B H 0.372806 0.996422 0.553086 0.146 Uiso 1 1 calc R U . . .
H47C H 0.443107 0.912560 0.629386 0.146 Uiso 1 1 calc R U . . .
C48 C 0.3493(4) 0.6387(3) 0.3991(2) 0.0841(11) Uani 1 1 d . . . . .
H48A H 0.413785 0.566493 0.397300 0.126 Uiso 1 1 calc R U . . .
H48B H 0.356998 0.691286 0.343298 0.126 Uiso 1 1 calc R U . . .
H48C H 0.273546 0.618833 0.407853 0.126 Uiso 1 1 calc R U . . .
C49 C 0.3402(2) 0.5330(2) 0.60338(19) 0.0511(6) Uani 1 1 d . . . . .
N50 N 0.3295(2) 0.50882(19) 0.69406(16) 0.0557(6) Uani 1 1 d . . . . .
C51 C 0.3183(3) 0.3975(3) 0.7091(2) 0.0673(8) Uani 1 1 d . . . . .
H51 H 0.309244 0.352497 0.765758 0.081 Uiso 1 1 calc R U . . .
N52 N 0.3218(3) 0.3599(2) 0.6327(2) 0.0718(8) Uani 1 1 d . . . . .
C54 C 0.3102(5) 0.2429(3) 0.6178(3) 0.1053(15) Uani 1 1 d . . . . .
H54A H 0.292587 0.196321 0.674943 0.158 Uiso 1 1 calc R U . . .
H54B H 0.384362 0.200412 0.586201 0.158 Uiso 1 1 calc R U . . .
H54C H 0.246151 0.256103 0.582685 0.158 Uiso 1 1 calc R U . . .
B61 B 0.0428(3) 0.3350(3) 0.8814(2) 0.0412(7) Uani 0.914(4) 1 d D . P A 3
F62 F -0.0109(4) 0.2710(4) 0.9521(4) 0.188(2) Uani 0.914(4) 1 d D . P A 3
F63 F 0.0109(5) 0.3176(5) 0.8085(4) 0.202(3) Uani 0.914(4) 1 d D . P A 3
F64 F 0.0035(4) 0.4501(3) 0.8932(3) 0.1492(15) Uani 0.914(4) 1 d D . P A 3
F65 F 0.1620(2) 0.2965(3) 0.8794(2) 0.1176(11) Uani 0.914(4) 1 d D . P A 3
B61B B 0.054(2) 0.332(2) 0.853(2) 0.0412(7) Uani 0.086(4) 1 d D . P A 4
F62B F -0.047(3) 0.307(4) 0.840(3) 0.188(2) Uani 0.086(4) 1 d D . P A 4
F63B F 0.144(3) 0.253(3) 0.818(3) 0.202(3) Uani 0.086(4) 1 d D . P A 4
F64B F 0.053(3) 0.444(2) 0.816(3) 0.1492(15) Uani 0.086(4) 1 d D . P A 4
F65B F 0.051(3) 0.324(3) 0.941(2) 0.1176(11) Uani 0.086(4) 1 d D . P A 4
B66 B 0.6043(7) 1.0324(7) 0.7653(5) 0.051(3) Uani 0.600(14) 1 d D . P B 1
F67 F 0.6160(11) 0.9645(10) 0.8456(6) 0.133(4) Uani 0.600(14) 1 d D . P B 1
F68 F 0.6394(16) 0.9607(7) 0.7013(5) 0.197(5) Uani 0.600(14) 1 d D . P B 1
F69 F 0.4955(6) 1.0990(13) 0.7545(7) 0.196(8) Uani 0.600(14) 1 d D . P B 1
F70 F 0.6831(11) 1.0997(10) 0.7458(9) 0.169(5) Uani 0.600(14) 1 d D . P B 1
B66B B 0.6010(10) 1.0453(10) 0.7709(7) 0.066(6) Uani 0.400(14) 1 d D U P B 2
F67B F 0.6193(12) 0.9482(13) 0.8341(9) 0.114(5) Uani 0.400(14) 1 d D U P B 2
F68B F 0.5332(15) 1.0238(15) 0.7169(8) 0.142(6) Uani 0.400(14) 1 d D U P B 2
F69B F 0.5440(17) 1.1494(10) 0.7983(11) 0.181(6) Uani 0.400(14) 1 d D U P B 2
F70B F 0.7047(8) 1.0555(13) 0.7193(9) 0.120(5) Uani 0.400(14) 1 d D U P B 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Fe1 0.0529(2) 0.0432(2) 0.0460(2) -0.00905(15) -0.00933(17) -0.01022(16)
N2 0.0507(13) 0.0511(12) 0.0490(13) -0.0053(10) -0.0053(10) -0.0118(10)
C3 0.0517(16) 0.0598(16) 0.0526(16) -0.0149(13) -0.0036(13) -0.0174(13)
C4 0.0468(15) 0.0699(18) 0.0644(19) -0.0204(15) -0.0053(14) -0.0097(13)
C5 0.0528(16) 0.0549(15) 0.0547(16) -0.0170(13) -0.0110(13) -0.0044(12)
N6 0.0472(12) 0.0506(12) 0.0486(12) -0.0077(10) -0.0078(10) -0.0078(9)
C7 0.066(2) 0.083(2) 0.075(2) -0.0022(18) 0.0004(17) -0.0275(17)
C8 0.065(2) 0.071(2) 0.082(2) -0.0056(17) -0.0201(18) 0.0024(16)
C9 0.0513(15) 0.0475(13) 0.0444(14) -0.0101(11) -0.0080(12) -0.0104(11)
N10 0.0466(12) 0.0528(12) 0.0496(13) -0.0035(10) -0.0047(10) -0.0094(10)
C11 0.0535(16) 0.0599(16) 0.0536(16) -0.0052(13) -0.0060(13) -0.0141(13)
N12 0.0647(15) 0.0551(13) 0.0501(13) -0.0048(10) -0.0034(11) -0.0186(11)
N13 0.0611(15) 0.0545(13) 0.0523(14) -0.0025(11) -0.0075(11) -0.0121(11)
C14 0.088(2) 0.071(2) 0.0595(19) 0.0037(15) 0.0021(17) -0.0308(18)
N22 0.0507(13) 0.0523(12) 0.0579(14) -0.0142(10) -0.0132(11) -0.0108(10)
C23 0.0518(16) 0.0646(17) 0.0634(18) -0.0100(14) -0.0155(14) -0.0164(13)
C24 0.0484(16) 0.077(2) 0.080(2) -0.0147(17) -0.0134(15) -0.0119(15)
C25 0.0519(17) 0.074(2) 0.077(2) -0.0265(17) -0.0089(15) -0.0052(15)
N26 0.0492(13) 0.0568(13) 0.0590(14) -0.0200(11) -0.0106(11) -0.0077(10)
C27 0.072(2) 0.089(2) 0.125(3) -0.044(2) -0.035(2) -0.0177(19)
C28 0.065(2) 0.116(3) 0.152(4) -0.081(3) -0.014(3) 0.012(2)
C29 0.0522(15) 0.0525(14) 0.0490(15) -0.0116(12) -0.0102(12) -0.0099(12)
N30 0.0472(12) 0.0516(12) 0.0505(13) -0.0135(10) -0.0078(10) -0.0114(10)
C31 0.0556(16) 0.0572(16) 0.0591(17) -0.0149(13) -0.0141(14) -0.0143(13)
N31 0.0904(19) 0.0501(13) 0.0709(17) -0.0165(12) -0.0234(15) -0.0168(13)
N32 0.0650(15) 0.0603(14) 0.0629(15) -0.0228(12) -0.0139(12) -0.0168(12)
N33 0.0619(15) 0.0686(16) 0.0767(18) -0.0358(14) -0.0124(13) -0.0082(12)
C34 0.093(3) 0.088(2) 0.097(3) -0.047(2) -0.022(2) -0.028(2)
N42 0.0725(15) 0.0443(11) 0.0454(12) -0.0085(9) -0.0121(11) -0.0175(11)
C43 0.096(2) 0.0479(15) 0.0548(17) -0.0018(13) -0.0133(17) -0.0250(15)
C44 0.112(3) 0.0617(18) 0.0511(18) 0.0017(14) -0.0140(18) -0.0250(18)
C45 0.076(2) 0.0641(18) 0.0474(16) -0.0082(13) -0.0109(15) -0.0169(15)
N46 0.0642(14) 0.0444(11) 0.0462(12) -0.0090(9) -0.0109(11) -0.0135(10)
C47 0.174(5) 0.0561(19) 0.073(2) 0.0013(17) -0.027(3) -0.049(2)
C48 0.117(3) 0.084(2) 0.056(2) -0.0177(17) -0.019(2) -0.024(2)
C49 0.0561(15) 0.0450(14) 0.0546(16) -0.0150(12) -0.0121(13) -0.0094(12)
N50 0.0691(15) 0.0446(12) 0.0555(14) -0.0066(10) -0.0104(12) -0.0174(11)
C51 0.085(2) 0.0462(15) 0.074(2) -0.0041(14) -0.0163(18) -0.0215(15)
N52 0.094(2) 0.0436(13) 0.088(2) -0.0165(13) -0.0260(17) -0.0216(13)
C54 0.142(4) 0.056(2) 0.140(4) -0.026(2) -0.044(3) -0.038(2)
B61 0.0309(14) 0.0427(14) 0.055(2) -0.0128(14) -0.0130(14) -0.0084(11)
F62 0.147(4) 0.174(4) 0.225(5) 0.000(4) 0.031(3) -0.068(3)
F63 0.173(4) 0.220(5) 0.226(6) -0.091(5) -0.093(4) 0.006(4)
F64 0.138(3) 0.103(2) 0.197(4) -0.042(2) -0.020(3) -0.005(2)
F65 0.0717(16) 0.121(2) 0.152(3) -0.019(2) -0.0070(17) -0.0188(15)
B61B 0.0309(14) 0.0427(14) 0.055(2) -0.0128(14) -0.0130(14) -0.0084(11)
F62B 0.147(4) 0.174(4) 0.225(5) 0.000(4) 0.031(3) -0.068(3)
F63B 0.173(4) 0.220(5) 0.226(6) -0.091(5) -0.093(4) 0.006(4)
F64B 0.138(3) 0.103(2) 0.197(4) -0.042(2) -0.020(3) -0.005(2)
F65B 0.0717(16) 0.121(2) 0.152(3) -0.019(2) -0.0070(17) -0.0188(15)
B66 0.052(5) 0.065(5) 0.037(5) 0.006(4) -0.016(4) -0.019(4)
F67 0.136(8) 0.177(9) 0.069(4) 0.023(4) -0.032(4) -0.030(6)
F68 0.301(15) 0.139(6) 0.160(6) -0.023(5) -0.094(7) -0.031(8)
F69 0.092(4) 0.241(14) 0.167(9) 0.080(8) -0.030(4) 0.031(6)
F70 0.206(11) 0.118(6) 0.222(11) 0.040(6) -0.111(9) -0.091(7)
B66B 0.066(9) 0.078(8) 0.058(9) 0.010(6) -0.018(6) -0.028(7)
F67B 0.084(7) 0.117(7) 0.131(9) 0.065(7) -0.045(6) -0.045(6)
F68B 0.156(11) 0.166(11) 0.138(8) 0.055(7) -0.098(8) -0.095(9)
F69B 0.189(12) 0.126(6) 0.216(12) -0.040(6) 0.010(9) -0.037(7)
F70B 0.072(5) 0.155(11) 0.110(6) 0.057(7) -0.022(4) -0.033(5)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe1 N30 2.152(2) . ?
Fe1 N10 2.161(2) . ?
Fe1 N50 2.186(2) . ?
Fe1 N42 2.196(2) . ?
Fe1 N22 2.201(2) . ?
Fe1 N2 2.216(2) . ?
N2 C3 1.322(4) . ?
N2 N6 1.377(3) . ?
C3 C4 1.398(4) . ?
C3 C7 1.491(4) . ?
C4 C5 1.348(4) . ?
C4 H4 0.9300 . ?
C5 N6 1.359(3) . ?
C5 C8 1.494(4) . ?
N6 C9 1.398(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N13 1.313(3) . ?
C9 N10 1.345(3) . ?
N10 C11 1.324(4) . ?
C11 N12 1.323(4) . ?
C11 H11 0.9300 . ?
N12 N13 1.370(3) . ?
N12 C14 1.452(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N22 C23 1.332(4) . ?
N22 N26 1.368(3) . ?
C23 C24 1.397(4) . ?
C23 C27 1.480(5) . ?
C24 C25 1.364(5) . ?
C24 H24 0.9300 . ?
C25 N26 1.360(4) . ?
C25 C28 1.492(5) . ?
N26 C29 1.392(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N33 1.310(4) . ?
C29 N30 1.346(3) . ?
N30 C31 1.331(3) . ?
C31 N32 1.320(4) . ?
C31 H31 0.9300 . ?
N31 C49 1.307(4) . ?
N31 N52 1.374(4) . ?
N32 N33 1.368(4) . ?
N32 C34 1.458(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N42 C43 1.333(4) . ?
N42 N46 1.373(3) . ?
C43 C44 1.398(4) . ?
C43 C47 1.480(4) . ?
C44 C45 1.364(4) . ?
C44 H44 0.9300 . ?
C45 N46 1.362(4) . ?
C45 C48 1.492(4) . ?
N46 C49 1.398(3) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 N50 1.348(4) . ?
N50 C51 1.323(4) . ?
C51 N52 1.308(4) . ?
C51 H51 0.9300 . ?
N52 C54 1.477(4) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
B61 F63 1.301(5) . ?
B61 F64 1.331(4) . ?
B61 F65 1.333(4) . ?
B61 F62 1.358(6) . ?
B61B F63B 1.296(11) . ?
B61B F65B 1.320(10) . ?
B61B F64B 1.324(10) . ?
B61B F62B 1.355(11) . ?
B66 F69 1.310(8) . ?
B66 F68 1.335(9) . ?
B66 F67 1.337(6) . ?
B66 F70 1.338(8) . ?
B66B F69B 1.316(10) . ?
B66B F68B 1.340(11) . ?
B66B F67B 1.341(8) . ?
B66B F70B 1.343(9) . ?

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
_geom_angle_publ_flag
N30 Fe1 N10 95.47(9) . . ?
N30 Fe1 N50 174.23(8) . . ?
N10 Fe1 N50 87.89(9) . . ?
N30 Fe1 N42 102.94(8) . . ?
N10 Fe1 N42 161.32(8) . . ?
N50 Fe1 N42 74.03(8) . . ?
N30 Fe1 N22 75.53(8) . . ?
N10 Fe1 N22 95.54(9) . . ?
N50 Fe1 N22 99.51(9) . . ?
N42 Fe1 N22 92.11(9) . . ?
N30 Fe1 N2 94.02(8) . . ?
N10 Fe1 N2 74.67(8) . . ?
N50 Fe1 N2 91.39(9) . . ?
N42 Fe1 N2 100.62(9) . . ?
N22 Fe1 N2 165.14(9) . . ?
C3 N2 N6 105.1(2) . . ?
C3 N2 Fe1 140.68(19) . . ?
N6 N2 Fe1 113.07(16) . . ?
N2 C3 C4 110.3(3) . . ?
N2 C3 C7 120.8(3) . . ?
C4 C3 C7 128.9(3) . . ?
C5 C4 C3 107.3(3) . . ?
C5 C4 H4 126.4 . . ?
C3 C4 H4 126.4 . . ?
C4 C5 N6 106.2(2) . . ?
C4 C5 C8 131.4(3) . . ?
N6 C5 C8 122.4(3) . . ?
C5 N6 N2 111.2(2) . . ?
C5 N6 C9 132.4(2) . . ?
N2 N6 C9 116.3(2) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N13 C9 N10 115.7(3) . . ?
N13 C9 N6 125.7(2) . . ?
N10 C9 N6 118.6(2) . . ?
C11 N10 C9 102.8(2) . . ?
C11 N10 Fe1 141.05(19) . . ?
C9 N10 Fe1 115.17(18) . . ?
N12 C11 N10 109.9(3) . . ?
N12 C11 H11 125.0 . . ?
N10 C11 H11 125.0 . . ?
C11 N12 N13 110.3(2) . . ?
C11 N12 C14 128.6(3) . . ?
N13 N12 C14 121.0(2) . . ?
C9 N13 N12 101.3(2) . . ?
N12 C14 H14A 109.5 . . ?
N12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C23 N22 N26 105.1(2) . . ?
C23 N22 Fe1 141.4(2) . . ?
N26 N22 Fe1 113.42(16) . . ?
N22 C23 C24 110.0(3) . . ?
N22 C23 C27 121.8(3) . . ?
C24 C23 C27 128.2(3) . . ?
C25 C24 C23 107.4(3) . . ?
C25 C24 H24 126.3 . . ?
C23 C24 H24 126.3 . . ?
N26 C25 C24 105.4(3) . . ?
N26 C25 C28 123.3(3) . . ?
C24 C25 C28 131.3(3) . . ?
C25 N26 N22 112.0(2) . . ?
C25 N26 C29 131.0(2) . . ?
N22 N26 C29 116.8(2) . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N33 C29 N30 115.6(2) . . ?
N33 C29 N26 125.2(2) . . ?
N30 C29 N26 119.2(2) . . ?
C31 N30 C29 102.7(2) . . ?
C31 N30 Fe1 142.13(19) . . ?
C29 N30 Fe1 114.41(17) . . ?
N32 C31 N30 109.8(3) . . ?
N32 C31 H31 125.1 . . ?
N30 C31 H31 125.1 . . ?
C49 N31 N52 100.4(2) . . ?
C31 N32 N33 110.4(2) . . ?
C31 N32 C34 129.3(3) . . ?
N33 N32 C34 120.3(3) . . ?
C29 N33 N32 101.5(2) . . ?
N32 C34 H34A 109.5 . . ?
N32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C43 N42 N46 104.8(2) . . ?
C43 N42 Fe1 138.8(2) . . ?
N46 N42 Fe1 115.66(16) . . ?
N42 C43 C44 110.1(3) . . ?
N42 C43 C47 122.3(3) . . ?
C44 C43 C47 127.6(3) . . ?
C45 C44 C43 107.7(3) . . ?
C45 C44 H44 126.2 . . ?
C43 C44 H44 126.2 . . ?
N46 C45 C44 105.2(3) . . ?
N46 C45 C48 123.6(3) . . ?
C44 C45 C48 131.2(3) . . ?
C45 N46 N42 112.2(2) . . ?
C45 N46 C49 131.7(2) . . ?
N42 N46 C49 116.0(2) . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N31 C49 N50 116.3(3) . . ?
N31 C49 N46 125.5(3) . . ?
N50 C49 N46 118.2(2) . . ?
C51 N50 C49 102.2(2) . . ?
C51 N50 Fe1 141.9(2) . . ?
C49 N50 Fe1 115.89(17) . . ?
N52 C51 N50 110.1(3) . . ?
N52 C51 H51 124.9 . . ?
N50 C51 H51 124.9 . . ?
C51 N52 N31 110.9(2) . . ?
C51 N52 C54 128.5(3) . . ?
N31 N52 C54 120.6(3) . . ?
N52 C54 H54A 109.5 . . ?
N52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F63 B61 F64 111.1(4) . . ?
F63 B61 F65 110.8(4) . . ?
F64 B61 F65 110.9(3) . . ?
F63 B61 F62 107.3(4) . . ?
F64 B61 F62 107.4(4) . . ?
F65 B61 F62 109.3(3) . . ?
F63B B61B F65B 112.5(15) . . ?
F63B B61B F64B 112.7(16) . . ?
F65B B61B F64B 108.7(15) . . ?
F63B B61B F62B 106.3(15) . . ?
F65B B61B F62B 107.3(15) . . ?
F64B B61B F62B 109.1(15) . . ?
F69 B66 F68 107.3(8) . . ?
F69 B66 F67 115.9(8) . . ?
F68 B66 F67 108.7(8) . . ?
F69 B66 F70 110.5(8) . . ?
F68 B66 F70 103.1(7) . . ?
F67 B66 F70 110.4(7) . . ?
F69B B66B F68B 107.0(11) . . ?
F69B B66B F67B 117.3(11) . . ?
F68B B66B F67B 105.3(10) . . ?
F69B B66B F70B 108.8(10) . . ?
F68B B66B F70B 106.5(10) . . ?
F67B B66B F70B 111.2(9) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N6 N2 C3 C4 0.3(3) . . . . ?
Fe1 N2 C3 C4 -165.5(2) . . . . ?
N6 N2 C3 C7 -179.8(3) . . . . ?
Fe1 N2 C3 C7 14.4(5) . . . . ?
N2 C3 C4 C5 -0.5(3) . . . . ?
C7 C3 C4 C5 179.6(3) . . . . ?
C3 C4 C5 N6 0.5(3) . . . . ?
C3 C4 C5 C8 178.9(3) . . . . ?
C4 C5 N6 N2 -0.4(3) . . . . ?
C8 C5 N6 N2 -179.0(3) . . . . ?
C4 C5 N6 C9 -176.7(3) . . . . ?
C8 C5 N6 C9 4.7(5) . . . . ?
C3 N2 N6 C5 0.1(3) . . . . ?
Fe1 N2 N6 C5 170.32(17) . . . . ?
C3 N2 N6 C9 177.0(2) . . . . ?
Fe1 N2 N6 C9 -12.7(3) . . . . ?
C5 N6 C9 N13 -0.7(5) . . . . ?
N2 N6 C9 N13 -176.8(2) . . . . ?
C5 N6 C9 N10 179.2(3) . . . . ?
N2 N6 C9 N10 3.1(3) . . . . ?
N13 C9 N10 C11 -0.3(3) . . . . ?
N6 C9 N10 C11 179.7(2) . . . . ?
N13 C9 N10 Fe1 -171.51(19) . . . . ?
N6 C9 N10 Fe1 8.6(3) . . . . ?
C9 N10 C11 N12 0.2(3) . . . . ?
Fe1 N10 C11 N12 167.4(2) . . . . ?
N10 C11 N12 N13 0.1(3) . . . . ?
N10 C11 N12 C14 -175.9(3) . . . . ?
N10 C9 N13 N12 0.4(3) . . . . ?
N6 C9 N13 N12 -179.7(2) . . . . ?
C11 N12 N13 C9 -0.2(3) . . . . ?
C14 N12 N13 C9 176.1(3) . . . . ?
N26 N22 C23 C24 0.6(3) . . . . ?
Fe1 N22 C23 C24 -176.4(2) . . . . ?
N26 N22 C23 C27 179.8(3) . . . . ?
Fe1 N22 C23 C27 2.7(5) . . . . ?
N22 C23 C24 C25 -0.5(4) . . . . ?
C27 C23 C24 C25 -179.5(4) . . . . ?
C23 C24 C25 N26 0.1(4) . . . . ?
C23 C24 C25 C28 -179.8(4) . . . . ?
C24 C25 N26 N22 0.3(4) . . . . ?
C28 C25 N26 N22 -179.8(4) . . . . ?
C24 C25 N26 C29 174.4(3) . . . . ?
C28 C25 N26 C29 -5.7(6) . . . . ?
C23 N22 N26 C25 -0.6(3) . . . . ?
Fe1 N22 N26 C25 177.4(2) . . . . ?
C23 N22 N26 C29 -175.6(2) . . . . ?
Fe1 N22 N26 C29 2.4(3) . . . . ?
C25 N26 C29 N33 8.8(5) . . . . ?
N22 N26 C29 N33 -177.3(3) . . . . ?
C25 N26 C29 N30 -169.7(3) . . . . ?
N22 N26 C29 N30 4.2(4) . . . . ?
N33 C29 N30 C31 0.2(3) . . . . ?
N26 C29 N30 C31 178.8(3) . . . . ?
N33 C29 N30 Fe1 172.7(2) . . . . ?
N26 C29 N30 Fe1 -8.7(3) . . . . ?
C29 N30 C31 N32 -0.5(3) . . . . ?
Fe1 N30 C31 N32 -169.3(2) . . . . ?
N30 C31 N32 N33 0.7(4) . . . . ?
N30 C31 N32 C34 -180.0(3) . . . . ?
N30 C29 N33 N32 0.2(3) . . . . ?
N26 C29 N33 N32 -178.3(3) . . . . ?
C31 N32 N33 C29 -0.5(3) . . . . ?
C34 N32 N33 C29 -179.9(3) . . . . ?
N46 N42 C43 C44 0.0(4) . . . . ?
Fe1 N42 C43 C44 -169.2(3) . . . . ?
N46 N42 C43 C47 179.7(4) . . . . ?
Fe1 N42 C43 C47 10.5(6) . . . . ?
N42 C43 C44 C45 0.3(4) . . . . ?
C47 C43 C44 C45 -179.4(4) . . . . ?
C43 C44 C45 N46 -0.4(4) . . . . ?
C43 C44 C45 C48 179.6(4) . . . . ?
C44 C45 N46 N42 0.4(4) . . . . ?
C48 C45 N46 N42 -179.6(3) . . . . ?
C44 C45 N46 C49 176.7(3) . . . . ?
C48 C45 N46 C49 -3.4(5) . . . . ?
C43 N42 N46 C45 -0.3(3) . . . . ?
Fe1 N42 N46 C45 171.9(2) . . . . ?
C43 N42 N46 C49 -177.1(3) . . . . ?
Fe1 N42 N46 C49 -5.0(3) . . . . ?
N52 N31 C49 N50 0.4(3) . . . . ?
N52 N31 C49 N46 -179.2(3) . . . . ?
C45 N46 C49 N31 6.1(5) . . . . ?
N42 N46 C49 N31 -177.8(3) . . . . ?
C45 N46 C49 N50 -173.5(3) . . . . ?
N42 N46 C49 N50 2.6(4) . . . . ?
N31 C49 N50 C51 -0.1(4) . . . . ?
N46 C49 N50 C51 179.5(3) . . . . ?
N31 C49 N50 Fe1 -178.5(2) . . . . ?
N46 C49 N50 Fe1 1.1(3) . . . . ?
C49 N50 C51 N52 -0.2(4) . . . . ?
Fe1 N50 C51 N52 177.5(2) . . . . ?
N50 C51 N52 N31 0.4(4) . . . . ?
N50 C51 N52 C54 -178.6(4) . . . . ?
C49 N31 N52 C51 -0.5(4) . . . . ?
C49 N31 N52 C54 178.6(3) . . . . ?

_refine_diff_density_max         0.545
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.052

_shelx_res_file                  
;
TITL ALL in P-1
    yg_D1Fe.res
    created by SHELXL-2018/3 at 09:42:34 on 20-Apr-2021
REM P-1 (#2 in standard setting)
CELL 0.71073  11.697712  11.724941  15.229158  79.3705  79.4908  73.3712
ZERR    2.00   0.001856   0.000895   0.002028   0.0089   0.0122   0.0101
LATT  1
SFAC C H N O B F FE
UNIT 48.00 66.00 30.00 0.00  4  16 2
L.S. 30  0   37
BOND $H
ACTA
CONF
OMIT    -1   1   0
OMIT     1  12   3
OMIT     0  13   2
OMIT     1  13   2
HTAB
ABIN
ISOR 0.01 B66B > F70B
DELU 0.01 B66B > F70B

EADP B61 B61B
EADP F62 F62B
EADP F63 F63B
EADP F64 F64B
EADP F65 F65B

ACTA
LIST 4
FMAP 2
PLAN 20
WGHT    0.082400    0.664000
FVAR       3.09577   0.59973   0.91417
FE1   7    0.330628    0.655090    0.764220    11.00000    0.05295    0.04316 =
         0.04602   -0.00905   -0.00933   -0.01022
N2    3    0.519111    0.568624    0.788731    11.00000    0.05069    0.05114 =
         0.04900   -0.00526   -0.00531   -0.01178
C3    1    0.630850    0.565960    0.751217    11.00000    0.05173    0.05981 =
         0.05262   -0.01488   -0.00359   -0.01744
C4    1    0.711777    0.467651    0.793076    11.00000    0.04677    0.06987 =
         0.06436   -0.02038   -0.00531   -0.00974
AFIX  43
H4    2    0.795131    0.446399    0.778345    11.00000   -1.20000
AFIX   0
C5    1    0.646509    0.409421    0.858747    11.00000    0.05276    0.05490 =
         0.05472   -0.01704   -0.01097   -0.00441
N6    3    0.529352    0.470992    0.855525    11.00000    0.04719    0.05062 =
         0.04860   -0.00773   -0.00780   -0.00782
C7    1    0.656343    0.659404    0.675151    11.00000    0.06594    0.08268 =
         0.07511   -0.00217    0.00038   -0.02754
AFIX 137
H7A   2    0.619263    0.655816    0.624799    11.00000   -1.50000
H7B   2    0.741804    0.645075    0.657722    11.00000   -1.50000
H7C   2    0.624373    0.737474    0.693966    11.00000   -1.50000
AFIX   0
C8    1    0.683349    0.298241    0.924101    11.00000    0.06488    0.07131 =
         0.08221   -0.00564   -0.02013    0.00236
AFIX 137
H8A   2    0.651036    0.315044    0.984368    11.00000   -1.50000
H8B   2    0.769644    0.272164    0.918716    11.00000   -1.50000
H8C   2    0.653041    0.236071    0.911216    11.00000   -1.50000
AFIX   0
C9    1    0.422329    0.456823    0.908894    11.00000    0.05129    0.04746 =
         0.04439   -0.01011   -0.00796   -0.01041
N10   3    0.317783    0.534464    0.889223    11.00000    0.04656    0.05280 =
         0.04964   -0.00353   -0.00468   -0.00936
C11   1    0.237077    0.495508    0.951169    11.00000    0.05354    0.05988 =
         0.05364   -0.00517   -0.00603   -0.01413
AFIX  43
H11   2    0.154381    0.529840    0.956551    11.00000   -1.20000
AFIX   0
N12   3    0.291541    0.400467    1.004296    11.00000    0.06471    0.05510 =
         0.05009   -0.00480   -0.00337   -0.01859
N13   3    0.413553    0.373150    0.978195    11.00000    0.06113    0.05450 =
         0.05229   -0.00246   -0.00746   -0.01212
C14   1    0.237903    0.325115    1.077152    11.00000    0.08769    0.07081 =
         0.05953    0.00366    0.00209   -0.03078
AFIX 137
H14A  2    0.151765    0.354496    1.083239    11.00000   -1.50000
H14B  2    0.265274    0.327023    1.132449    11.00000   -1.50000
H14C  2    0.261195    0.243991    1.063952    11.00000   -1.50000
AFIX   0
N22   3    0.137755    0.749407    0.776232    11.00000    0.05072    0.05228 =
         0.05788   -0.01421   -0.01325   -0.01081
C23   1    0.034962    0.747590    0.751286    11.00000    0.05184    0.06463 =
         0.06340   -0.01001   -0.01555   -0.01636
C24   1   -0.058063    0.843735    0.779923    11.00000    0.04841    0.07735 =
         0.07977   -0.01475   -0.01342   -0.01186
AFIX  43
H24   2   -0.137989    0.862060    0.770332    11.00000   -1.20000
AFIX   0
C25   1   -0.010117    0.905817    0.824549    11.00000    0.05190    0.07446 =
         0.07689   -0.02653   -0.00892   -0.00516
N26   3    0.108566    0.846516    0.821533    11.00000    0.04921    0.05677 =
         0.05899   -0.02003   -0.01065   -0.00765
C27   1    0.028899    0.654764    0.699598    11.00000    0.07213    0.08937 =
         0.12494   -0.04361   -0.03499   -0.01766
AFIX 137
H27A  2    0.074266    0.664586    0.640746    11.00000   -1.50000
H27B  2   -0.053548    0.663077    0.693792    11.00000   -1.50000
H27C  2    0.062047    0.576409    0.730727    11.00000   -1.50000
AFIX   0
C28   1   -0.066093    1.015341    0.869553    11.00000    0.06468    0.11643 =
         0.15236   -0.08122   -0.01388    0.01202
AFIX 137
H28A  2   -0.056034    0.996554    0.932214    11.00000   -1.50000
H28B  2   -0.150409    1.042166    0.864054    11.00000   -1.50000
H28C  2   -0.027844    1.077754    0.841340    11.00000   -1.50000
AFIX   0
C29   1    0.203081    0.873959    0.849706    11.00000    0.05218    0.05249 =
         0.04903   -0.01163   -0.01017   -0.00987
N30   3    0.316744    0.809963    0.826478    11.00000    0.04719    0.05158 =
         0.05054   -0.01351   -0.00778   -0.01140
C31   1    0.381368    0.861349    0.862541    11.00000    0.05556    0.05718 =
         0.05912   -0.01495   -0.01407   -0.01427
AFIX  43
H31   2    0.464819    0.837871    0.859339    11.00000   -1.20000
AFIX   0
N31   3    0.336855    0.446942    0.560976    11.00000    0.09042    0.05008 =
         0.07091   -0.01649   -0.02337   -0.01677
N32   3    0.309217    0.950648    0.903539    11.00000    0.06501    0.06035 =
         0.06289   -0.02282   -0.01388   -0.01681
N33   3    0.191651    0.960596    0.896665    11.00000    0.06191    0.06864 =
         0.07668   -0.03580   -0.01244   -0.00815
C34   1    0.339159    1.032017    0.952074    11.00000    0.09344    0.08782 =
         0.09718   -0.04652   -0.02195   -0.02789
AFIX 137
H34A  2    0.311113    1.015812    1.015216    11.00000   -1.50000
H34B  2    0.301179    1.113614    0.929551    11.00000   -1.50000
H34C  2    0.424903    1.020211    0.943417    11.00000   -1.50000
AFIX   0
N42   3    0.358474    0.722181    0.619616    11.00000    0.07252    0.04434 =
         0.04535   -0.00846   -0.01205   -0.01751
C43   1    0.364601    0.824704    0.566253    11.00000    0.09593    0.04789 =
         0.05484   -0.00179   -0.01334   -0.02503
C44   1    0.363033    0.813415    0.476712    11.00000    0.11218    0.06174 =
         0.05113    0.00172   -0.01396   -0.02498
AFIX  43
H44   2    0.366771    0.872557    0.427139    11.00000   -1.20000
AFIX   0
C45   1    0.355034    0.700033    0.475166    11.00000    0.07633    0.06415 =
         0.04743   -0.00823   -0.01087   -0.01685
N46   3    0.352961    0.646437    0.562560    11.00000    0.06420    0.04443 =
         0.04622   -0.00901   -0.01090   -0.01353
C47   1    0.371229    0.931607    0.601708    11.00000    0.17374    0.05613 =
         0.07345    0.00125   -0.02667   -0.04855
AFIX 137
H47A  2    0.302074    0.955202    0.645655    11.00000   -1.50000
H47B  2    0.372806    0.996422    0.553086    11.00000   -1.50000
H47C  2    0.443107    0.912560    0.629386    11.00000   -1.50000
AFIX   0
C48   1    0.349333    0.638694    0.399127    11.00000    0.11706    0.08369 =
         0.05582   -0.01774   -0.01865   -0.02379
AFIX 137
H48A  2    0.413785    0.566493    0.397300    11.00000   -1.50000
H48B  2    0.356998    0.691286    0.343298    11.00000   -1.50000
H48C  2    0.273546    0.618833    0.407853    11.00000   -1.50000
AFIX   0
C49   1    0.340154    0.532956    0.603379    11.00000    0.05612    0.04503 =
         0.05458   -0.01495   -0.01207   -0.00941
N50   3    0.329463    0.508822    0.694059    11.00000    0.06906    0.04463 =
         0.05555   -0.00658   -0.01036   -0.01743
C51   1    0.318298    0.397493    0.709095    11.00000    0.08532    0.04618 =
         0.07357   -0.00409   -0.01628   -0.02153
AFIX  43
H51   2    0.309244    0.352497    0.765758    11.00000   -1.20000
AFIX   0
N52   3    0.321842    0.359867    0.632687    11.00000    0.09388    0.04362 =
         0.08845   -0.01647   -0.02601   -0.02160
C54   1    0.310218    0.242944    0.617828    11.00000    0.14179    0.05631 =
         0.14046   -0.02580   -0.04446   -0.03845
AFIX 137
H54A  2    0.292587    0.196321    0.674943    11.00000   -1.50000
H54B  2    0.384362    0.200412    0.586201    11.00000   -1.50000
H54C  2    0.246151    0.256103    0.582685    11.00000   -1.50000
AFIX   0

PART 3
B61   5    0.042833    0.334954    0.881379    31.00000    0.03085    0.04268 =
         0.05452   -0.01281   -0.01297   -0.00844
F62   6   -0.010950    0.271016    0.952114    31.00000    0.14715    0.17423 =
         0.22549    0.00018    0.03105   -0.06818
F63   6    0.010910    0.317595    0.808468    31.00000    0.17287    0.21989 =
         0.22605   -0.09119   -0.09277    0.00643
F64   6    0.003476    0.450122    0.893158    31.00000    0.13814    0.10288 =
         0.19729   -0.04239   -0.01962   -0.00547
F65   6    0.161984    0.296510    0.879436    31.00000    0.07171    0.12130 =
         0.15230   -0.01857   -0.00704   -0.01882

PART 4
SAME 0.01 B61 > F65
B61B  5    0.054061    0.332125    0.853492   -31.00000    0.03085    0.04268 =
         0.05452   -0.01281   -0.01297   -0.00844
F62B  6   -0.046833    0.306799    0.839894   -31.00000    0.14715    0.17423 =
         0.22549    0.00018    0.03105   -0.06818
F63B  6    0.144207    0.253232    0.817848   -31.00000    0.17287    0.21989 =
         0.22605   -0.09119   -0.09277    0.00643
F64B  6    0.052517    0.443801    0.816185   -31.00000    0.13814    0.10288 =
         0.19729   -0.04239   -0.01962   -0.00547
F65B  6    0.051124    0.324303    0.941449   -31.00000    0.07171    0.12130 =
         0.15230   -0.01857   -0.00704   -0.01882

PART 1
B66   5    0.604270    1.032412    0.765314    21.00000    0.05152    0.06518 =
         0.03694    0.00605   -0.01573   -0.01901
F67   6    0.616024    0.964518    0.845578    21.00000    0.13574    0.17721 =
         0.06901    0.02325   -0.03174   -0.03002
F68   6    0.639399    0.960732    0.701346    21.00000    0.30114    0.13908 =
         0.16022   -0.02302   -0.09443   -0.03077
F69   6    0.495468    1.098992    0.754496    21.00000    0.09207    0.24083 =
         0.16722    0.08000   -0.02956    0.03143
F70   6    0.683050    1.099689    0.745760    21.00000    0.20600    0.11757 =
         0.22250    0.04036   -0.11141   -0.09110

PART 2
SAME 0.01 B66 > F70
B66B  5    0.601040    1.045275    0.770868   -21.00000    0.06560    0.07769 =
         0.05808    0.00965   -0.01763   -0.02844
F67B  6    0.619329    0.948221    0.834094   -21.00000    0.08392    0.11728 =
         0.13090    0.06472   -0.04489   -0.04541
F68B  6    0.533201    1.023800    0.716944   -21.00000    0.15612    0.16611 =
         0.13799    0.05475   -0.09751   -0.09473
F69B  6    0.543956    1.149415    0.798275   -21.00000    0.18873    0.12602 =
         0.21650   -0.03979    0.00975   -0.03705
F70B  6    0.704710    1.055497    0.719331   -21.00000    0.07156    0.15520 =
         0.10999    0.05741   -0.02210   -0.03262

HKLF 4




REM  ALL in P-1
REM wR2 = 0.1635, GooF = S = 1.068, Restrained GooF = 1.075 for all data
REM R1 = 0.0554 for 5934 Fo > 4sig(Fo) and 0.0723 for all 7758 data
REM 522 parameters refined using 60 restraints

END

WGHT      0.0824      0.6647

REM Instructions for potential hydrogen bonds
EQIV $1 x+1, y, z
HTAB C4 F63_$1
HTAB C4 F62B_$1
HTAB C8 F62B_$1
HTAB C11 F64
EQIV $2 -x, -y+1, -z+2
HTAB C14 F64_$2
EQIV $3 x-1, y, z
HTAB C24 F70B_$3
HTAB C27 F64B
EQIV $4 x, y+1, z
HTAB C28 F62B_$4
HTAB C31 F67
HTAB C31 F67B
EQIV $5 -x+1, -y+2, -z+2
HTAB C34 F67_$5
HTAB C34 F65_$4
HTAB C34 F67
HTAB C34 F67B
EQIV $6 -x+1, -y+2, -z+1
HTAB C44 F68_$6
HTAB C44 F68B_$6
HTAB C44 F70B_$6
HTAB C47 F68B
HTAB C48 F70_$6
HTAB C51 F65
HTAB C51 F63B
HTAB C54 F63B

REM Highest difference peak  0.545,  deepest hole -0.356,  1-sigma level  0.052
Q1    1   0.0593  0.3054  0.8892  11.00000  0.05    0.50
Q2    1   0.0216  0.3360  0.9026  11.00000  0.05    0.49
Q3    1   0.6067  1.0845  0.8548  11.00000  0.05    0.28
Q4    1   0.6348  0.8894  0.7686  11.00000  0.05    0.28
Q5    1   0.0779  0.2439  0.8024  11.00000  0.05    0.26
Q6    1   0.3111  0.5929  0.8366  11.00000  0.05    0.26
Q7    1   0.3434  0.7598  0.8040  11.00000  0.05    0.24
Q8    1   0.6579  0.9599  0.6800  11.00000  0.05    0.24
Q9    1   0.6091  1.0227  0.7448  11.00000  0.05    0.23
Q10   1   0.6316  1.0307  0.7830  11.00000  0.05    0.23
Q11   1   0.1474  0.8443  0.8530  11.00000  0.05    0.22
Q12   1   0.5656  1.0561  0.7848  11.00000  0.05    0.22
Q13   1  -0.0278  0.2555  0.8773  11.00000  0.05    0.22
Q14   1   0.0174  0.3901  0.9628  11.00000  0.05    0.21
Q15   1   0.5882  1.0769  0.7706  11.00000  0.05    0.21
Q16   1   0.1866  0.3825  1.1173  11.00000  0.05    0.21
Q17   1   0.4458  0.6057  0.7993  11.00000  0.05    0.21
Q18   1   0.5822  0.9772  0.6936  11.00000  0.05    0.21
Q19   1   0.4364  0.5385  0.7834  11.00000  0.05    0.21
Q20   1  -0.0688  0.4232  0.8728  11.00000  0.05    0.21
;
_shelx_res_checksum              97084

_shelx_hkl_file                  
;
   0   0  -3 91359.9 652.231   1
   0   0   3 92810.4 672.135   1
   0   0   4 2151.78 122.141   1
   0   0  -4 2349.48 121.197   1
   0   0  -5 5389.24 205.093   1
   0   0   5 5168.88 212.310   1
   0   0   6 28967.1 550.987   1
   0   0  -6 28429.5 507.657   1
   0   0   7 392.930 79.7742   1
   0   0  -7 411.133 74.2498   1
   0   0  -7 157.928 27.8127   1
   0   0  -8 9191.27 333.674   1
   0   0   8 9234.15 368.030   1
   0   0  -8 9380.79 180.357   1
   0   0  -9 5322.71 149.003   1
   0   0  -9 5739.72 285.852   1
   0   0  10 701.663 133.316   1
   0   0 -10 342.423 42.3491   1
   0   0 -10 741.416 130.791   1
   0   0 -11 4492.24 280.197   1
   0   0  11 4704.98 317.898   1
   0   0 -11 4246.87 147.675   1
   0   0 -12 373.719 101.238   1
   0   0 -12 259.390 47.1242   1
   0   0  12 512.264 133.128   1
   0   0 -13 5482.90 339.024   1
   0   0 -13 6523.22 198.083   1
   0   0  13 6093.01 406.077   1
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  -7 -14  -6 277.965 92.4999   1
   0   0   0    0.00    0.00   0
TITL ALL in P-1
REM P-1 (#2 in standard setting)
CELL 0.71073  11.697712  11.724941  15.229158  79.3705  79.4908  73.3712
ZERR    8.00   0.001856   0.000895   0.002028   0.0089   0.0122   0.0101
LATT  1
SFAC C H N O
UNIT 88.00 80.00 8.00 8.00
TREF
HKLF 4
END
;
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   -1    9   16     -0.25      0.00
    0    9   16      0.02      0.00
    8    9   16     -0.40      0.00
    9    9   16      0.03      0.00
    0   10   16      0.14      0.00
    1   10   16      0.06      0.00
    2   10   16     -0.33      0.00
    3   10   16     -0.30      0.00
    4   10   16      0.09      0.00
    5   10   16      0.08      0.00
    6   10   16     -0.30      0.00
    7   10   16     -0.57      0.00
    8   10   16     -0.48      0.00
    3   11   16     -0.19      0.00
    4   11   16      0.09      0.00
    5   11   16      0.07      0.00
    6   11   16      0.05      0.00
   -1   -5   17      0.10      0.00
    0   -5   17      0.12      0.00
    1   -5   17      0.12      0.00
    2   -5   17      0.04      0.00
   -3   -4   17      0.06      0.00
   -2   -4   17     -0.22      0.00
   -1   -4   17     -0.42      0.00
    0   -4   17     -0.42      0.00
    1   -4   17     -0.28      0.00
    2   -4   17     -0.06      0.00
    3   -4   17      0.11      0.00
    4   -4   17      0.09      0.00
    5   -4   17      0.02      0.00
   -4   -3   17     -0.29      0.00
   -3   -3   17     -0.42      0.00
   -2   -3   17     -0.36      0.00
    4   -3   17     -0.07      0.00
    5   -3   17      0.16      0.00
    6   -3   17      0.41      0.00
   -5   -2   17     -0.41      0.00
   -4   -2   17     -0.57      0.00
   -3   -2   17     -0.77      0.00
    6   -2   17     -0.11      0.00
    7   -2   17      0.25      0.00
   -5   -1   17      0.08      0.00
   -4   -1   17     -0.27      0.00
    7   -1   17      0.06      0.00
    8   -1   17      0.10      0.00
   -5    0   17      0.26      0.00
   -4    0   17      0.03      0.00
    8    0   17      0.33      0.00
   -5    1   17      0.45      0.00
   -4    1   17      0.30      0.00
    8    1   17      0.36      0.00
    9    1   17      0.38      0.00
   -5    2   17      0.49      0.00
   -4    2   17      0.58      0.00
    9    2   17     -0.19      0.00
   -4    3   17      0.65      0.00
    9    3   17      0.16      0.00
   10    3   17      0.25      0.00
   -4    4   17      0.06      0.00
    9    4   17     -0.22      0.00
   10    4   17     -0.29      0.00
   -4    5   17     -0.23      0.00
   -3    5   17     -0.21      0.00
    9    5   17      0.09      0.00
   10    5   17      0.15      0.00
   -3    6   17     -0.50      0.00
   -2    6   17     -0.18      0.00
    9    6   17      0.97      0.00
   10    6   17      0.61      0.00
   -2    7   17      0.20      0.00
   -1    7   17      0.21      0.00
    8    7   17      0.14      0.00
    9    7   17     -0.30      0.00
   -1    8   17      0.12      0.00
    0    8   17      0.00      0.00
    1    8   17     -0.12      0.00
    7    8   17     -0.36      0.00
    8    8   17      0.00      0.00
    9    8   17      0.07      0.00
    1    9   17     -0.29      0.00
    2    9   17     -0.11      0.00
    3    9   17      0.03      0.00
    4    9   17     -0.26      0.00
    5    9   17     -0.46      0.00
    6    9   17     -0.14      0.00
    7    9   17      0.30      0.00
    8    9   17      0.39      0.00
    3   10   17      0.20      0.00
    4   10   17     -0.07      0.00
    5   10   17     -0.17      0.00
    6   10   17      0.03      0.00
   -2   -3   18      0.31      0.00
   -1   -3   18      0.07      0.00
    0   -3   18     -0.11      0.00
    1   -3   18     -0.03      0.00
    2   -3   18      0.16      0.00
    3   -3   18      0.33      0.00
    4   -3   18      0.34      0.00
   -3   -2   18      0.52      0.00
   -2   -2   18      0.56      0.00
   -1   -2   18      0.33      0.00
    0   -2   18      0.16      0.00
    1   -2   18      0.13      0.00
    2   -2   18      0.28      0.00
    3   -2   18      0.71      0.00
    4   -2   18      1.01      0.00
    5   -2   18      0.75      0.00
   -3   -1   18      0.35      0.00
   -2   -1   18      0.27      0.00
   -1   -1   18      0.12      0.00
    4   -1   18      0.43      0.00
    5   -1   18      0.18      0.00
    6   -1   18     -0.04      0.00
   -3    0   18     -0.05      0.00
   -2    0   18     -0.09      0.00
    6    0   18     -0.39      0.00
    7    0   18     -0.40      0.00
   -3    1   18     -0.28      0.00
   -2    1   18     -0.32      0.00
    6    1   18     -0.26      0.00
    7    1   18     -0.25      0.00
    8    1   18     -0.19      0.00
   -3    2   18     -0.40      0.00
   -2    2   18     -0.30      0.00
    7    2   18      0.08      0.00
    8    2   18      0.00      0.00
   -3    3   18     -0.51      0.00
   -2    3   18     -0.43      0.00
    7    3   18      0.11      0.00
    8    3   18     -0.06      0.00
   -3    4   18     -0.10      0.00
   -2    4   18     -0.35      0.00
    7    4   18      0.01      0.00
    8    4   18      0.13      0.00
   -2    5   18     -0.27      0.00
   -1    5   18     -0.51      0.00
    7    5   18      0.12      0.00
    8    5   18      0.07      0.00
   -1    6   18      0.04      0.00
    0    6   18      0.33      0.00
    6    6   18     -0.28      0.00
    7    6   18     -0.41      0.00
    8    6   18     -0.58      0.00
    0    7   18      0.16      0.00
    1    7   18      0.22      0.00
    2    7   18      0.36      0.00
    3    7   18      0.45      0.00
    4    7   18      0.23      0.00
    5    7   18     -0.10      0.00
    6    7   18     -0.27      0.00
    7    7   18     -0.23      0.00
    8    7   18     -0.02      0.00
    1    8   18      0.14      0.00
    2    8   18      0.20      0.00
    3    8   18      0.11      0.00
    4    8   18      0.13      0.00
    5    8   18      0.38      0.00
    6    8   18      0.52      0.00
    7    8   18      0.33      0.00
    0   -1   19     -0.10      0.00
    1   -1   19     -0.17      0.00
    2   -1   19     -0.12      0.00
    3   -1   19     -0.16      0.00
    4   -1   19     -0.14      0.00
   -1    0   19     -0.05      0.00
    0    0   19     -0.29      0.00
    1    0   19     -0.24      0.00
    2    0   19     -0.16      0.00
    3    0   19     -0.22      0.00
    4    0   19     -0.11      0.00
    5    0   19      0.15      0.00
   -1    1   19     -0.02      0.00
    0    1   19      0.03      0.00
    1    1   19      0.22      0.00
    2    1   19      0.13      0.00
    3    1   19     -0.03      0.00
    4    1   19      0.01      0.00
    5    1   19      0.06      0.00
    6    1   19      0.03      0.00
   -1    2   19     -0.08      0.00
    0    2   19     -0.08      0.00
    1    2   19     -0.03      0.00
    2    2   19     -0.05      0.00
    3    2   19      0.03      0.00
    4    2   19     -0.03      0.00
    5    2   19     -0.33      0.00
    6    2   19     -0.39      0.00
   -1    3   19      0.26      0.00
    0    3   19      0.42      0.00
    1    3   19      0.38      0.00
    2    3   19      0.26      0.00
    3    3   19      0.18      0.00
    4    3   19     -0.20      0.00
    5    3   19     -0.58      0.00
    6    3   19     -0.44      0.00
    7    3   19     -0.07      0.00
   -1    4   19      0.40      0.00
    0    4   19      0.31      0.00
    1    4   19     -0.13      0.00
    2    4   19     -0.25      0.00
    3    4   19     -0.14      0.00
    4    4   19     -0.29      0.00
    5    4   19     -0.37      0.00
    6    4   19     -0.17      0.00
    7    4   19     -0.05      0.00
    0    5   19      0.01      0.00
    1    5   19     -0.15      0.00
    2    5   19      0.02      0.00
    3    5   19      0.02      0.00
    4    5   19     -0.26      0.00
    5    5   19     -0.31      0.00
    6    5   19     -0.14      0.00
    1    6   19     -0.34      0.00
    2    6   19     -0.05      0.00
    3    6   19      0.09      0.00
    4    6   19      0.10      0.00
    5    6   19      0.16      0.00
    6    6   19      0.17      0.00
    3    7   19     -0.28      0.00
    4    7   19     -0.29      0.00
    5    7   19     -0.12      0.00
    0    0    0      0.00      0.00
# SQUEEZE RESULTS (Version = 130720)
# 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  0.000 -0.051  0.500       324        66 ' '
# 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    0    0     1.834
    3    0    0     5.511
   -2    1    0     4.512
    0    1    0     1.831
    1    1    0     2.228
   -1    2    0     4.507
    0    3    0     5.500
    0   -2    1     4.090
    0   -1    1     2.438
   -1    0    1     2.439
    0    0    1     1.374
    1    0    1     2.135
    0    1    1     2.129
    1    1    1     2.334
    1    2    1     3.613
   -1   -2    2     5.008
    0    0    2     2.748
   -1   -1    3     5.119
    0   -1    3     4.743
    1    2    3     4.897
_platon_squeeze_void_probe_radius                  1.20
_platon_squeeze_details
)
TITL ALL in P-1
CELL   11.6977   11.7249   15.2290     79.37     79.49     73.37
SPGR P-1
# Solvent Accessible Volume =       320
# Electrons Found in S.A.V. =        66
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
C101 1.000 0.500 0.500 !       1.84 eA-3
C102 0.981 0.679 0.470 !       1.53 eA-3
C103 0.985 0.839 0.438 !       1.42 eA-3
C104 1.001 0.782 0.426 !       1.33 eA-3
C105 0.015 0.614 0.420 !       1.22 eA-3
C106 0.987 0.968 0.483 !       0.97 eA-3
Q107 0.221 0.119 0.436 !       0.70 eA-3
Q108 0.987 0.654 0.095 !       0.65 eA-3
Q109 0.938 0.660 0.095 !       0.63 eA-3
Q110 0.951 0.636 0.154 !       0.55 eA-3
Q111 0.935 0.700 0.140 !       0.50 eA-3
)
;
_shelx_fab_checksum              34119

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yg_D1Zn
_database_code_depnum_ccdc_archive 'CCDC 2287516'
loop_
_audit_author_name
_audit_author_address
'Charalampos Moiras'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_yg_D1Zn             
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.930 Why?
RESPONSE: Inital assesment of the unit cell indicated monoclinic C, structure solution showed the real system to be triclinic.
;
_vrf_PLAT911_yg_D1Zn             
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600        483 Report
RESPONSE: Due to weak reflections
;
# Added during the CSD deposition process: Tuesday 08 August 2023 01:37 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H33 N15 Zn, 2(B F4) [+ solvent]'
_chemical_formula_sum            'C24 H33 B2 F8 N15 Zn [+ solvent]'
_chemical_formula_weight         770.64

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7204(8)
_cell_length_b                   11.7364(10)
_cell_length_c                   15.1784(9)
_cell_angle_alpha                79.549(6)
_cell_angle_beta                 79.326(6)
_cell_angle_gamma                73.192(7)
_cell_volume                     1945.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    8220
_cell_measurement_theta_min      2.8410
_cell_measurement_theta_max      26.1570

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_F_000             788
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    0.707
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.75589
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?



_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'100 images, ΔΦ 2.0° '
;
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15592
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.870
_diffrn_reflns_theta_max         26.155
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measured_fraction_theta_full 0.930
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_Laue_measured_fraction_full 0.930
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_point_group_measured_fraction_full 0.930
_reflns_number_total             7205
_reflns_number_gt                6352
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       MAR
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_atom_sites_solution_primary     'dual space'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  
;
'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'
;



_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0712P)²+0.7632P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7205
_refine_ls_number_parameters     506
_refine_ls_number_restraints     110
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1255
_refine_ls_wR_factor_gt          0.1215
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.33028(2) 0.65449(2) 0.76513(2) 0.04767(11) Uani 1 1 d . . . . .
N2 N 0.51907(18) 0.56912(17) 0.78756(13) 0.0497(4) Uani 1 1 d . . . . .
C3 C 0.6314(2) 0.5653(2) 0.74915(18) 0.0542(6) Uani 1 1 d . . . . .
C4 C 0.7120(2) 0.4669(2) 0.79129(19) 0.0597(6) Uani 1 1 d . . . . .
H4 H 0.795370 0.445345 0.776543 0.072 Uiso 1 1 calc R U . . .
C5 C 0.6459(2) 0.4084(2) 0.85791(18) 0.0537(6) Uani 1 1 d . . . . .
N6 N 0.52904(17) 0.47185(17) 0.85487(13) 0.0483(4) Uani 1 1 d . . . . .
C7 C 0.6567(3) 0.6580(3) 0.6722(2) 0.0745(8) Uani 1 1 d . . . . .
H7A H 0.742122 0.646008 0.656499 0.112 Uiso 1 1 calc R U . . .
H7B H 0.620946 0.736589 0.689731 0.112 Uiso 1 1 calc R U . . .
H7C H 0.623240 0.650940 0.620901 0.112 Uiso 1 1 calc R U . . .
C8 C 0.6830(3) 0.2980(3) 0.9231(2) 0.0714(8) Uani 1 1 d . . . . .
H8A H 0.769298 0.271880 0.917329 0.107 Uiso 1 1 calc R U . . .
H8B H 0.652837 0.235765 0.910417 0.107 Uiso 1 1 calc R U . . .
H8C H 0.650880 0.315138 0.983646 0.107 Uiso 1 1 calc R U . . .
C9 C 0.4227(2) 0.4578(2) 0.90848(15) 0.0464(5) Uani 1 1 d . . . . .
N10 N 0.31711(18) 0.53615(17) 0.88957(14) 0.0510(5) Uani 1 1 d . . . . .
C11 C 0.2368(2) 0.4964(2) 0.95209(17) 0.0561(6) Uani 1 1 d . . . . .
H11 H 0.153971 0.530225 0.957898 0.067 Uiso 1 1 calc R U . . .
N12 N 0.2919(2) 0.40200(19) 1.00461(14) 0.0568(5) Uani 1 1 d . . . . .
N13 N 0.41415(19) 0.37414(19) 0.97793(14) 0.0563(5) Uani 1 1 d . . . . .
C14 C 0.2390(3) 0.3262(3) 1.0780(2) 0.0712(8) Uani 1 1 d . . . . .
H14A H 0.259238 0.246024 1.063013 0.107 Uiso 1 1 calc R U . . .
H14B H 0.153028 0.357684 1.086673 0.107 Uiso 1 1 calc R U . . .
H14C H 0.269735 0.324886 1.132641 0.107 Uiso 1 1 calc R U . . .
N22 N 0.13788(18) 0.74678(17) 0.77575(14) 0.0511(5) Uani 1 1 d . . . . .
C23 C 0.0356(2) 0.7458(2) 0.75103(19) 0.0578(6) Uani 1 1 d . . . . .
C24 C -0.0577(2) 0.8427(3) 0.7794(2) 0.0664(7) Uani 1 1 d . . . . .
H24 H -0.137414 0.861482 0.769436 0.080 Uiso 1 1 calc R U . . .
C25 C -0.0099(2) 0.9043(3) 0.8243(2) 0.0647(7) Uani 1 1 d . . . . .
N26 N 0.10920(18) 0.84456(18) 0.82075(14) 0.0529(5) Uani 1 1 d . . . . .
C27 C 0.0285(3) 0.6527(3) 0.6992(3) 0.0870(10) Uani 1 1 d . . . . .
H27A H 0.071787 0.663260 0.639378 0.130 Uiso 1 1 calc R U . . .
H27B H -0.054218 0.660233 0.695288 0.130 Uiso 1 1 calc R U . . .
H27C H 0.063464 0.574362 0.729405 0.130 Uiso 1 1 calc R U . . .
C28 C -0.0654(3) 1.0146(4) 0.8684(3) 0.1072(15) Uani 1 1 d . . . . .
H28A H -0.024076 1.074906 0.841595 0.161 Uiso 1 1 calc R U . . .
H28B H -0.059406 0.996055 0.931892 0.161 Uiso 1 1 calc R U . . .
H28C H -0.148681 1.044180 0.860127 0.161 Uiso 1 1 calc R U . . .
C29 C 0.2040(2) 0.8719(2) 0.84874(16) 0.0485(5) Uani 1 1 d . . . . .
N30 N 0.31711(17) 0.80747(17) 0.82503(13) 0.0472(4) Uani 1 1 d . . . . .
C31 C 0.3815(2) 0.8588(2) 0.86138(17) 0.0545(6) Uani 1 1 d . . . . .
H31 H 0.464933 0.835241 0.857973 0.065 Uiso 1 1 calc R U . . .
N32 N 0.3098(2) 0.94751(19) 0.90263(15) 0.0581(5) Uani 1 1 d . . . . .
N33 N 0.1919(2) 0.9578(2) 0.89677(17) 0.0635(6) Uani 1 1 d . . . . .
C34 C 0.3387(3) 1.0291(3) 0.9523(2) 0.0832(9) Uani 1 1 d . . . . .
H34A H 0.424424 1.015607 0.945556 0.125 Uiso 1 1 calc R U . . .
H34B H 0.307729 1.014593 1.015204 0.125 Uiso 1 1 calc R U . . .
H34C H 0.302746 1.110733 0.928575 0.125 Uiso 1 1 calc R U . . .
N42 N 0.3599(2) 0.72417(17) 0.62114(13) 0.0519(5) Uani 1 1 d . . . . .
C43 C 0.3656(3) 0.8262(2) 0.56815(18) 0.0625(7) Uani 1 1 d . . . . .
C44 C 0.3637(3) 0.8156(3) 0.47797(19) 0.0720(8) Uani 1 1 d . . . . .
H44 H 0.367564 0.874675 0.428377 0.086 Uiso 1 1 calc R U . . .
C45 C 0.3552(3) 0.7027(2) 0.47658(17) 0.0604(6) Uani 1 1 d . . . . .
N46 N 0.35367(18) 0.64849(16) 0.56414(13) 0.0488(4) Uani 1 1 d . . . . .
C47 C 0.3731(4) 0.9337(3) 0.6045(2) 0.0965(12) Uani 1 1 d . . . . .
H47A H 0.453123 0.921192 0.617855 0.145 Uiso 1 1 calc R U . . .
H47B H 0.316670 0.945298 0.658774 0.145 Uiso 1 1 calc R U . . .
H47C H 0.354422 1.003443 0.560237 0.145 Uiso 1 1 calc R U . . .
C48 C 0.3488(4) 0.6424(3) 0.3999(2) 0.0802(9) Uani 1 1 d . . . . .
H48A H 0.359848 0.693830 0.343960 0.120 Uiso 1 1 calc R U . . .
H48B H 0.271498 0.626278 0.407457 0.120 Uiso 1 1 calc R U . . .
H48C H 0.410811 0.568195 0.399007 0.120 Uiso 1 1 calc R U . . .
C49 C 0.3402(2) 0.53543(19) 0.60467(16) 0.0487(5) Uani 1 1 d . . . . .
N50 N 0.32951(19) 0.51075(17) 0.69537(14) 0.0529(5) Uani 1 1 d . . . . .
C51 C 0.3181(3) 0.3993(2) 0.7100(2) 0.0643(7) Uani 1 1 d . . . . .
H51 H 0.309174 0.354046 0.766596 0.077 Uiso 1 1 calc R U . . .
N52 N 0.3213(2) 0.36263(19) 0.63306(18) 0.0672(6) Uani 1 1 d . . . . .
N53 N 0.3371(2) 0.45000(19) 0.56123(16) 0.0637(6) Uani 1 1 d . . . . .
C54 C 0.3122(4) 0.2460(3) 0.6162(3) 0.0990(13) Uani 1 1 d . . . . .
H54A H 0.239758 0.257504 0.590944 0.148 Uiso 1 1 calc R U . . .
H54B H 0.310361 0.192666 0.672181 0.148 Uiso 1 1 calc R U . . .
H54C H 0.380563 0.211739 0.574549 0.148 Uiso 1 1 calc R U . . .
B61 B 0.0442(2) 0.3325(3) 0.8811(2) 0.0592(7) Uani 1 1 d D . . . .
F62 F 0.16336(19) 0.2944(2) 0.8793(2) 0.1266(9) Uani 1 1 d D . . . .
F63 F 0.0114(4) 0.3173(4) 0.8075(3) 0.216(2) Uani 1 1 d D . . . .
F64 F -0.0107(3) 0.2717(3) 0.9528(3) 0.1929(17) Uani 1 1 d D . . . .
F65 F 0.0058(3) 0.4494(2) 0.8929(3) 0.1563(12) Uani 1 1 d D . . . .
B71 B 0.6050(7) 0.0285(8) 0.7643(6) 0.067(3) Uani 0.551(12) 1 d D U P A 1
F72 F 0.6813(10) 0.0960(9) 0.7484(8) 0.156(5) Uani 0.551(12) 1 d D U P A 1
F73 F 0.4968(5) 0.0956(11) 0.7534(6) 0.159(5) Uani 0.551(12) 1 d D U P A 1
F74 F 0.6159(9) -0.0523(8) 0.8388(6) 0.113(3) Uani 0.551(12) 1 d D U P A 1
F75 F 0.6452(12) -0.0442(6) 0.6990(5) 0.174(4) Uani 0.551(12) 1 d D U P A 1
B71B B 0.6023(8) 0.0446(10) 0.7679(6) 0.070(4) Uani 0.449(12) 1 d D U P A 2
F72B F 0.7045(7) 0.0590(11) 0.7190(7) 0.141(5) Uani 0.449(12) 1 d D U P A 2
F73B F 0.5309(15) 0.0240(14) 0.7193(9) 0.189(8) Uani 0.449(12) 1 d D U P A 2
F74B F 0.6185(12) -0.0295(12) 0.8454(6) 0.137(5) Uani 0.449(12) 1 d D U P A 2
F75B F 0.5427(14) 0.1514(8) 0.7967(10) 0.211(6) Uani 0.449(12) 1 d D U P A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Zn1 0.05496(18) 0.04076(16) 0.04806(17) -0.00726(11) -0.01190(13) -0.01019(11)
N2 0.0525(11) 0.0455(10) 0.0497(11) -0.0045(8) -0.0082(9) -0.0115(8)
C3 0.0533(13) 0.0571(14) 0.0565(14) -0.0141(11) -0.0060(12) -0.0184(11)
C4 0.0454(12) 0.0646(15) 0.0687(16) -0.0170(13) -0.0090(12) -0.0086(11)
C5 0.0498(13) 0.0536(13) 0.0566(14) -0.0163(11) -0.0109(11) -0.0042(10)
N6 0.0494(10) 0.0447(10) 0.0487(10) -0.0061(8) -0.0096(9) -0.0078(8)
C7 0.0658(17) 0.0788(19) 0.0775(19) -0.0024(16) -0.0006(15) -0.0277(15)
C8 0.0636(16) 0.0623(16) 0.0786(19) -0.0031(14) -0.0194(15) 0.0004(13)
C9 0.0493(12) 0.0439(11) 0.0460(12) -0.0087(9) -0.0093(10) -0.0090(9)
N10 0.0482(10) 0.0501(11) 0.0521(11) -0.0022(9) -0.0084(9) -0.0112(8)
C11 0.0542(14) 0.0574(14) 0.0562(14) -0.0045(11) -0.0077(12) -0.0158(11)
N12 0.0630(13) 0.0529(11) 0.0536(12) -0.0015(9) -0.0062(10) -0.0187(10)
N13 0.0581(12) 0.0518(11) 0.0558(12) -0.0010(9) -0.0102(10) -0.0122(9)
C14 0.084(2) 0.0684(17) 0.0603(16) 0.0050(13) -0.0026(15) -0.0321(15)
N22 0.0510(11) 0.0469(10) 0.0592(12) -0.0123(9) -0.0153(10) -0.0108(8)
C23 0.0527(13) 0.0595(14) 0.0665(16) -0.0068(12) -0.0191(12) -0.0175(11)
C24 0.0471(13) 0.0741(18) 0.0795(19) -0.0143(15) -0.0150(13) -0.0122(12)
C25 0.0492(13) 0.0688(17) 0.0747(18) -0.0212(14) -0.0092(13) -0.0058(12)
N26 0.0470(10) 0.0540(11) 0.0593(12) -0.0175(9) -0.0115(9) -0.0073(8)
C27 0.0711(19) 0.085(2) 0.122(3) -0.040(2) -0.035(2) -0.0193(16)
C28 0.0613(19) 0.111(3) 0.151(4) -0.078(3) -0.017(2) 0.0119(18)
C29 0.0511(12) 0.0472(12) 0.0487(12) -0.0107(10) -0.0109(10) -0.0105(10)
N30 0.0473(10) 0.0455(10) 0.0509(11) -0.0098(8) -0.0110(9) -0.0107(8)
C31 0.0569(14) 0.0531(13) 0.0583(14) -0.0096(11) -0.0158(12) -0.0157(11)
N32 0.0641(13) 0.0569(12) 0.0612(12) -0.0171(10) -0.0157(11) -0.0183(10)
N33 0.0588(13) 0.0619(13) 0.0750(15) -0.0296(11) -0.0141(12) -0.0089(10)
C34 0.091(2) 0.083(2) 0.096(2) -0.0418(18) -0.0221(19) -0.0306(17)
N42 0.0704(13) 0.0422(10) 0.0469(10) -0.0058(8) -0.0131(10) -0.0181(9)
C43 0.090(2) 0.0449(13) 0.0568(14) -0.0008(11) -0.0148(14) -0.0246(13)
C44 0.109(2) 0.0553(15) 0.0525(14) 0.0041(12) -0.0163(16) -0.0271(15)
C45 0.0741(17) 0.0593(15) 0.0473(13) -0.0071(11) -0.0117(13) -0.0151(13)
N46 0.0614(12) 0.0422(10) 0.0451(10) -0.0074(8) -0.0122(9) -0.0137(8)
C47 0.174(4) 0.0551(17) 0.075(2) -0.0005(15) -0.025(2) -0.054(2)
C48 0.114(3) 0.079(2) 0.0533(15) -0.0123(14) -0.0221(17) -0.0251(18)
C49 0.0537(13) 0.0400(11) 0.0543(13) -0.0083(9) -0.0141(11) -0.0102(9)
N50 0.0653(12) 0.0409(10) 0.0554(11) -0.0049(8) -0.0112(10) -0.0179(9)
C51 0.0815(18) 0.0437(13) 0.0715(17) -0.0008(12) -0.0185(15) -0.0219(12)
N52 0.0843(16) 0.0430(11) 0.0842(16) -0.0147(11) -0.0232(13) -0.0215(11)
N53 0.0852(16) 0.0461(11) 0.0671(13) -0.0122(10) -0.0226(12) -0.0187(10)
C54 0.135(3) 0.0508(17) 0.133(3) -0.0189(19) -0.043(3) -0.0389(19)
B61 0.0437(14) 0.0521(15) 0.087(2) -0.0116(14) -0.0171(15) -0.0145(12)
F62 0.0727(13) 0.1276(19) 0.164(2) -0.0035(18) -0.0099(15) -0.0174(12)
F63 0.208(4) 0.231(4) 0.232(5) -0.100(4) -0.122(4) 0.006(3)
F64 0.157(3) 0.170(3) 0.228(4) -0.002(3) 0.045(3) -0.066(3)
F65 0.145(2) 0.0964(18) 0.222(4) -0.042(2) -0.032(2) -0.0068(16)
B71 0.065(7) 0.065(5) 0.071(7) 0.017(4) -0.029(6) -0.024(4)
F72 0.178(9) 0.121(5) 0.211(10) 0.038(5) -0.092(7) -0.101(6)
F73 0.080(3) 0.190(10) 0.152(8) 0.062(7) -0.037(4) 0.011(4)
F74 0.093(5) 0.103(4) 0.137(6) 0.058(4) -0.050(4) -0.039(3)
F75 0.252(11) 0.134(5) 0.147(5) -0.037(4) -0.075(6) -0.027(6)
B71B 0.069(9) 0.097(9) 0.048(7) 0.009(5) -0.020(6) -0.029(7)
F72B 0.075(4) 0.190(11) 0.121(6) 0.079(7) -0.028(3) -0.031(4)
F73B 0.243(15) 0.213(15) 0.179(11) 0.100(9) -0.157(11) -0.164(13)
F74B 0.125(8) 0.215(10) 0.051(4) 0.034(5) -0.025(4) -0.037(7)
F75B 0.213(13) 0.129(6) 0.269(14) -0.051(6) 0.037(9) -0.038(6)

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N30 2.1104(18) . ?
Zn1 N10 2.1411(19) . ?
Zn1 N50 2.1512(19) . ?
Zn1 N22 2.191(2) . ?
Zn1 N42 2.191(2) . ?
Zn1 N2 2.211(2) . ?
N2 C3 1.329(3) . ?
N2 N6 1.380(3) . ?
C3 C4 1.400(4) . ?
C3 C7 1.495(4) . ?
C4 C5 1.363(4) . ?
C4 H4 0.9300 . ?
C5 N6 1.362(3) . ?
C5 C8 1.489(4) . ?
N6 C9 1.392(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N13 1.314(3) . ?
C9 N10 1.355(3) . ?
N10 C11 1.329(3) . ?
C11 N12 1.318(3) . ?
C11 H11 0.9300 . ?
N12 N13 1.374(3) . ?
N12 C14 1.456(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N22 C23 1.324(3) . ?
N22 N26 1.369(3) . ?
C23 C24 1.400(4) . ?
C23 C27 1.486(4) . ?
C24 C25 1.363(4) . ?
C24 H24 0.9300 . ?
C25 N26 1.365(3) . ?
C25 C28 1.488(4) . ?
N26 C29 1.395(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N33 1.310(3) . ?
C29 N30 1.342(3) . ?
N30 C31 1.333(3) . ?
C31 N32 1.311(3) . ?
C31 H31 0.9300 . ?
N32 N33 1.370(3) . ?
N32 C34 1.464(3) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N42 C43 1.327(3) . ?
N42 N46 1.372(3) . ?
C43 C44 1.401(4) . ?
C43 C47 1.496(4) . ?
C44 C45 1.362(4) . ?
C44 H44 0.9300 . ?
C45 N46 1.365(3) . ?
C45 C48 1.491(4) . ?
N46 C49 1.397(3) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 N53 1.308(3) . ?
C49 N50 1.344(3) . ?
N50 C51 1.328(3) . ?
C51 N52 1.306(4) . ?
C51 H51 0.9300 . ?
N52 N53 1.380(3) . ?
N52 C54 1.474(3) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
B61 F63 1.304(4) . ?
B61 F62 1.334(3) . ?
B61 F65 1.349(4) . ?
B61 F64 1.353(4) . ?
B71 F73 1.307(7) . ?
B71 F72 1.321(7) . ?
B71 F74 1.337(6) . ?
B71 F75 1.354(9) . ?
B71B F73B 1.309(8) . ?
B71B F72B 1.325(7) . ?
B71B F74B 1.339(7) . ?
B71B F75B 1.353(10) . ?

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
_geom_angle_publ_flag
N30 Zn1 N10 95.90(8) . . ?
N30 Zn1 N50 173.86(7) . . ?
N10 Zn1 N50 88.27(8) . . ?
N30 Zn1 N22 76.66(7) . . ?
N10 Zn1 N22 95.60(8) . . ?
N50 Zn1 N22 98.49(8) . . ?
N30 Zn1 N42 101.03(7) . . ?
N10 Zn1 N42 162.68(8) . . ?
N50 Zn1 N42 75.16(7) . . ?
N22 Zn1 N42 91.87(8) . . ?
N30 Zn1 N2 94.04(7) . . ?
N10 Zn1 N2 75.51(7) . . ?
N50 Zn1 N2 91.36(8) . . ?
N22 Zn1 N2 166.58(7) . . ?
N42 Zn1 N2 99.48(8) . . ?
C3 N2 N6 105.10(19) . . ?
C3 N2 Zn1 141.41(17) . . ?
N6 N2 Zn1 112.25(14) . . ?
N2 C3 C4 110.2(2) . . ?
N2 C3 C7 120.6(2) . . ?
C4 C3 C7 129.2(3) . . ?
C5 C4 C3 107.4(2) . . ?
C5 C4 H4 126.3 . . ?
C3 C4 H4 126.3 . . ?
N6 C5 C4 105.7(2) . . ?
N6 C5 C8 123.2(2) . . ?
C4 C5 C8 131.2(2) . . ?
C5 N6 N2 111.6(2) . . ?
C5 N6 C9 131.6(2) . . ?
N2 N6 C9 116.69(18) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N13 C9 N10 115.5(2) . . ?
N13 C9 N6 125.7(2) . . ?
N10 C9 N6 118.8(2) . . ?
C11 N10 C9 102.7(2) . . ?
C11 N10 Zn1 141.54(17) . . ?
C9 N10 Zn1 114.63(16) . . ?
N12 C11 N10 109.9(2) . . ?
N12 C11 H11 125.1 . . ?
N10 C11 H11 125.1 . . ?
C11 N12 N13 110.8(2) . . ?
C11 N12 C14 128.5(2) . . ?
N13 N12 C14 120.6(2) . . ?
C9 N13 N12 101.17(19) . . ?
N12 C14 H14A 109.5 . . ?
N12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C23 N22 N26 105.1(2) . . ?
C23 N22 Zn1 142.72(18) . . ?
N26 N22 Zn1 112.13(13) . . ?
N22 C23 C24 110.5(2) . . ?
N22 C23 C27 122.0(3) . . ?
C24 C23 C27 127.5(2) . . ?
C25 C24 C23 107.1(2) . . ?
C25 C24 H24 126.4 . . ?
C23 C24 H24 126.4 . . ?
C24 C25 N26 105.4(2) . . ?
C24 C25 C28 131.3(3) . . ?
N26 C25 C28 123.3(3) . . ?
C25 N26 N22 111.9(2) . . ?
C25 N26 C29 131.0(2) . . ?
N22 N26 C29 116.91(19) . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N33 C29 N30 116.0(2) . . ?
N33 C29 N26 124.9(2) . . ?
N30 C29 N26 119.1(2) . . ?
C31 N30 C29 102.39(19) . . ?
C31 N30 Zn1 142.21(17) . . ?
C29 N30 Zn1 114.50(14) . . ?
N32 C31 N30 109.9(2) . . ?
N32 C31 H31 125.1 . . ?
N30 C31 H31 125.1 . . ?
C31 N32 N33 110.8(2) . . ?
C31 N32 C34 129.7(2) . . ?
N33 N32 C34 119.5(2) . . ?
C29 N33 N32 100.9(2) . . ?
N32 C34 H34A 109.5 . . ?
N32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C43 N42 N46 105.06(19) . . ?
C43 N42 Zn1 139.87(17) . . ?
N46 N42 Zn1 114.15(14) . . ?
N42 C43 C44 110.4(2) . . ?
N42 C43 C47 122.1(2) . . ?
C44 C43 C47 127.5(2) . . ?
C45 C44 C43 107.1(2) . . ?
C45 C44 H44 126.4 . . ?
C43 C44 H44 126.4 . . ?
C44 C45 N46 105.6(2) . . ?
C44 C45 C48 130.7(3) . . ?
N46 C45 C48 123.7(2) . . ?
C45 N46 N42 111.79(19) . . ?
C45 N46 C49 131.7(2) . . ?
N42 N46 C49 116.40(18) . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N53 C49 N50 116.4(2) . . ?
N53 C49 N46 125.1(2) . . ?
N50 C49 N46 118.43(19) . . ?
C51 N50 C49 102.4(2) . . ?
C51 N50 Zn1 142.00(19) . . ?
C49 N50 Zn1 115.59(15) . . ?
N52 C51 N50 110.0(2) . . ?
N52 C51 H51 125.0 . . ?
N50 C51 H51 125.0 . . ?
C51 N52 N53 111.0(2) . . ?
C51 N52 C54 129.1(3) . . ?
N53 N52 C54 119.9(3) . . ?
C49 N53 N52 100.2(2) . . ?
N52 C54 H54A 109.5 . . ?
N52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F63 B61 F62 111.7(4) . . ?
F63 B61 F65 110.1(3) . . ?
F62 B61 F65 109.8(3) . . ?
F63 B61 F64 108.6(4) . . ?
F62 B61 F64 109.9(3) . . ?
F65 B61 F64 106.6(3) . . ?
F73 B71 F72 109.9(8) . . ?
F73 B71 F74 117.2(7) . . ?
F72 B71 F74 114.8(7) . . ?
F73 B71 F75 109.2(8) . . ?
F72 B71 F75 103.5(7) . . ?
F74 B71 F75 100.8(8) . . ?
F73B B71B F72B 112.3(9) . . ?
F73B B71B F74B 115.8(9) . . ?
F72B B71B F74B 113.1(8) . . ?
F73B B71B F75B 104.9(9) . . ?
F72B B71B F75B 106.6(9) . . ?
F74B B71B F75B 102.9(10) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N6 N2 C3 C4 0.0(3) . . . . ?
Zn1 N2 C3 C4 -165.2(2) . . . . ?
N6 N2 C3 C7 180.0(2) . . . . ?
Zn1 N2 C3 C7 14.8(4) . . . . ?
N2 C3 C4 C5 0.2(3) . . . . ?
C7 C3 C4 C5 -179.8(3) . . . . ?
C3 C4 C5 N6 -0.3(3) . . . . ?
C3 C4 C5 C8 179.0(3) . . . . ?
C4 C5 N6 N2 0.3(3) . . . . ?
C8 C5 N6 N2 -179.1(2) . . . . ?
C4 C5 N6 C9 -177.1(2) . . . . ?
C8 C5 N6 C9 3.5(4) . . . . ?
C3 N2 N6 C5 -0.2(3) . . . . ?
Zn1 N2 N6 C5 169.90(15) . . . . ?
C3 N2 N6 C9 177.63(19) . . . . ?
Zn1 N2 N6 C9 -12.3(2) . . . . ?
C5 N6 C9 N13 0.2(4) . . . . ?
N2 N6 C9 N13 -177.1(2) . . . . ?
C5 N6 C9 N10 179.8(2) . . . . ?
N2 N6 C9 N10 2.5(3) . . . . ?
N13 C9 N10 C11 -0.7(3) . . . . ?
N6 C9 N10 C11 179.6(2) . . . . ?
N13 C9 N10 Zn1 -171.25(16) . . . . ?
N6 C9 N10 Zn1 9.1(3) . . . . ?
C9 N10 C11 N12 0.7(3) . . . . ?
Zn1 N10 C11 N12 166.7(2) . . . . ?
N10 C11 N12 N13 -0.4(3) . . . . ?
N10 C11 N12 C14 -176.1(3) . . . . ?
N10 C9 N13 N12 0.5(3) . . . . ?
N6 C9 N13 N12 -179.9(2) . . . . ?
C11 N12 N13 C9 0.0(3) . . . . ?
C14 N12 N13 C9 176.0(2) . . . . ?
N26 N22 C23 C24 0.4(3) . . . . ?
Zn1 N22 C23 C24 -176.1(2) . . . . ?
N26 N22 C23 C27 179.6(3) . . . . ?
Zn1 N22 C23 C27 3.0(5) . . . . ?
N22 C23 C24 C25 -0.8(4) . . . . ?
C27 C23 C24 C25 -179.8(3) . . . . ?
C23 C24 C25 N26 0.8(3) . . . . ?
C23 C24 C25 C28 179.5(4) . . . . ?
C24 C25 N26 N22 -0.5(3) . . . . ?
C28 C25 N26 N22 -179.4(3) . . . . ?
C24 C25 N26 C29 174.2(3) . . . . ?
C28 C25 N26 C29 -4.7(5) . . . . ?
C23 N22 N26 C25 0.1(3) . . . . ?
Zn1 N22 N26 C25 177.78(19) . . . . ?
C23 N22 N26 C29 -175.4(2) . . . . ?
Zn1 N22 N26 C29 2.3(3) . . . . ?
C25 N26 C29 N33 9.5(4) . . . . ?
N22 N26 C29 N33 -176.0(2) . . . . ?
C25 N26 C29 N30 -169.8(3) . . . . ?
N22 N26 C29 N30 4.6(3) . . . . ?
N33 C29 N30 C31 -0.4(3) . . . . ?
N26 C29 N30 C31 179.0(2) . . . . ?
N33 C29 N30 Zn1 171.24(18) . . . . ?
N26 C29 N30 Zn1 -9.4(3) . . . . ?
C29 N30 C31 N32 -0.5(3) . . . . ?
Zn1 N30 C31 N32 -167.95(19) . . . . ?
N30 C31 N32 N33 1.1(3) . . . . ?
N30 C31 N32 C34 179.7(3) . . . . ?
N30 C29 N33 N32 1.0(3) . . . . ?
N26 C29 N33 N32 -178.4(2) . . . . ?
C31 N32 N33 C29 -1.2(3) . . . . ?
C34 N32 N33 C29 180.0(3) . . . . ?
N46 N42 C43 C44 -0.3(3) . . . . ?
Zn1 N42 C43 C44 -167.9(2) . . . . ?
N46 N42 C43 C47 179.8(3) . . . . ?
Zn1 N42 C43 C47 12.2(5) . . . . ?
N42 C43 C44 C45 0.7(4) . . . . ?
C47 C43 C44 C45 -179.4(3) . . . . ?
C43 C44 C45 N46 -0.7(4) . . . . ?
C43 C44 C45 C48 179.5(3) . . . . ?
C44 C45 N46 N42 0.6(3) . . . . ?
C48 C45 N46 N42 -179.6(3) . . . . ?
C44 C45 N46 C49 176.4(3) . . . . ?
C48 C45 N46 C49 -3.8(5) . . . . ?
C43 N42 N46 C45 -0.2(3) . . . . ?
Zn1 N42 N46 C45 171.10(18) . . . . ?
C43 N42 N46 C49 -176.7(2) . . . . ?
Zn1 N42 N46 C49 -5.4(3) . . . . ?
C45 N46 C49 N53 7.0(4) . . . . ?
N42 N46 C49 N53 -177.4(2) . . . . ?
C45 N46 C49 N50 -173.0(3) . . . . ?
N42 N46 C49 N50 2.7(3) . . . . ?
N53 C49 N50 C51 -0.2(3) . . . . ?
N46 C49 N50 C51 179.7(2) . . . . ?
N53 C49 N50 Zn1 -178.43(18) . . . . ?
N46 C49 N50 Zn1 1.5(3) . . . . ?
C49 N50 C51 N52 -0.4(3) . . . . ?
Zn1 N50 C51 N52 177.0(2) . . . . ?
N50 C51 N52 N53 0.8(4) . . . . ?
N50 C51 N52 C54 179.9(3) . . . . ?
N50 C49 N53 N52 0.7(3) . . . . ?
N46 C49 N53 N52 -179.3(2) . . . . ?
C51 N52 N53 C49 -0.9(3) . . . . ?
C54 N52 N53 C49 179.9(3) . . . . ?

_refine_diff_density_max         0.340
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.044

_shelx_res_file                  
;
TITL yg_D1Zn in P-1
    yg_D1Zn.res
    created by SHELXL-2019/3 at 10:22:12 on 23-Jul-2023
REM P-1 (#2 in standard setting)
CELL 0.71073  11.720385  11.736423  15.178415  79.5491  79.3260  73.1916
ZERR    2.00   0.000838   0.000993   0.000933   0.0063   0.0056   0.0071
LATT  1
SFAC C H N O B F ZN
UNIT 48 66 30 0 4 16 2
L.S. 10  0   40
ACTA
ABIN
BOND $H
CONF
LIST 4

OMIT 10 0 0

TEMP 24
ISOR B71 > F75B
DELU 0.01 0.01 B71 > F75B

FMAP 2
PLAN 20
WGHT    0.071200    0.763200
FVAR       3.36970   0.55068
ZN1   7    0.330280    0.654492    0.765132    11.00000    0.05496    0.04076 =
         0.04806   -0.00726   -0.01190   -0.01019
N2    3    0.519073    0.569119    0.787563    11.00000    0.05248    0.04547 =
         0.04973   -0.00454   -0.00822   -0.01147
C3    1    0.631365    0.565255    0.749147    11.00000    0.05334    0.05708 =
         0.05647   -0.01408   -0.00596   -0.01840
C4    1    0.712027    0.466859    0.791291    11.00000    0.04540    0.06459 =
         0.06865   -0.01699   -0.00905   -0.00858
AFIX  43
H4    2    0.795370    0.445345    0.776543    11.00000   -1.20000
AFIX   0
C5    1    0.645936    0.408396    0.857912    11.00000    0.04975    0.05357 =
         0.05665   -0.01631   -0.01089   -0.00417
N6    3    0.529036    0.471852    0.854874    11.00000    0.04942    0.04474 =
         0.04866   -0.00611   -0.00958   -0.00780
C7    1    0.656683    0.657993    0.672186    11.00000    0.06582    0.07876 =
         0.07745   -0.00240   -0.00062   -0.02768
AFIX 137
H7A   2    0.742122    0.646008    0.656499    11.00000   -1.50000
H7B   2    0.620946    0.736589    0.689731    11.00000   -1.50000
H7C   2    0.623240    0.650940    0.620901    11.00000   -1.50000
AFIX   0
C8    1    0.683031    0.297995    0.923114    11.00000    0.06355    0.06229 =
         0.07863   -0.00310   -0.01937    0.00035
AFIX 137
H8A   2    0.769298    0.271880    0.917329    11.00000   -1.50000
H8B   2    0.652837    0.235765    0.910417    11.00000   -1.50000
H8C   2    0.650880    0.315138    0.983646    11.00000   -1.50000
AFIX   0
C9    1    0.422700    0.457800    0.908479    11.00000    0.04931    0.04394 =
         0.04596   -0.00865   -0.00934   -0.00900
N10   3    0.317110    0.536155    0.889566    11.00000    0.04819    0.05015 =
         0.05207   -0.00218   -0.00839   -0.01116
C11   1    0.236753    0.496425    0.952086    11.00000    0.05416    0.05741 =
         0.05624   -0.00452   -0.00765   -0.01585
AFIX  43
H11   2    0.153971    0.530225    0.957898    11.00000   -1.20000
AFIX   0
N12   3    0.291874    0.401998    1.004610    11.00000    0.06297    0.05293 =
         0.05359   -0.00153   -0.00621   -0.01865
N13   3    0.414153    0.374138    0.977931    11.00000    0.05812    0.05183 =
         0.05577   -0.00103   -0.01017   -0.01217
C14   1    0.238962    0.326191    1.077984    11.00000    0.08412    0.06837 =
         0.06027    0.00502   -0.00256   -0.03205
AFIX 137
H14A  2    0.259238    0.246024    1.063013    11.00000   -1.50000
H14B  2    0.153028    0.357684    1.086673    11.00000   -1.50000
H14C  2    0.269735    0.324886    1.132641    11.00000   -1.50000
AFIX   0
N22   3    0.137877    0.746775    0.775746    11.00000    0.05099    0.04689 =
         0.05916   -0.01225   -0.01533   -0.01084
C23   1    0.035603    0.745770    0.751032    11.00000    0.05270    0.05949 =
         0.06650   -0.00679   -0.01905   -0.01747
C24   1   -0.057721    0.842673    0.779390    11.00000    0.04709    0.07409 =
         0.07955   -0.01425   -0.01501   -0.01220
AFIX  43
H24   2   -0.137414    0.861482    0.769436    11.00000   -1.20000
AFIX   0
C25   1   -0.009914    0.904295    0.824323    11.00000    0.04917    0.06875 =
         0.07469   -0.02117   -0.00919   -0.00579
N26   3    0.109204    0.844563    0.820748    11.00000    0.04704    0.05397 =
         0.05935   -0.01750   -0.01145   -0.00729
C27   1    0.028533    0.652666    0.699187    11.00000    0.07110    0.08529 =
         0.12244   -0.03999   -0.03529   -0.01930
AFIX 137
H27A  2    0.071787    0.663260    0.639378    11.00000   -1.50000
H27B  2   -0.054218    0.660233    0.695288    11.00000   -1.50000
H27C  2    0.063464    0.574362    0.729405    11.00000   -1.50000
AFIX   0
C28   1   -0.065445    1.014648    0.868393    11.00000    0.06130    0.11112 =
         0.15133   -0.07816   -0.01704    0.01191
AFIX 137
H28A  2   -0.024076    1.074906    0.841595    11.00000   -1.50000
H28B  2   -0.059406    0.996055    0.931892    11.00000   -1.50000
H28C  2   -0.148681    1.044180    0.860127    11.00000   -1.50000
AFIX   0
C29   1    0.203976    0.871851    0.848736    11.00000    0.05111    0.04716 =
         0.04867   -0.01065   -0.01090   -0.01053
N30   3    0.317106    0.807473    0.825031    11.00000    0.04732    0.04548 =
         0.05087   -0.00981   -0.01100   -0.01075
C31   1    0.381526    0.858822    0.861376    11.00000    0.05687    0.05310 =
         0.05826   -0.00959   -0.01576   -0.01575
AFIX  43
H31   2    0.464933    0.835241    0.857973    11.00000   -1.20000
AFIX   0
N32   3    0.309818    0.947509    0.902631    11.00000    0.06414    0.05688 =
         0.06115   -0.01713   -0.01573   -0.01827
N33   3    0.191947    0.957835    0.896774    11.00000    0.05880    0.06194 =
         0.07497   -0.02964   -0.01407   -0.00889
C34   1    0.338661    1.029135    0.952263    11.00000    0.09127    0.08265 =
         0.09572   -0.04176   -0.02206   -0.03065
AFIX 137
H34A  2    0.424424    1.015607    0.945556    11.00000   -1.50000
H34B  2    0.307729    1.014593    1.015204    11.00000   -1.50000
H34C  2    0.302746    1.110733    0.928575    11.00000   -1.50000
AFIX   0
N42   3    0.359920    0.724174    0.621140    11.00000    0.07039    0.04219 =
         0.04693   -0.00584   -0.01309   -0.01810
C43   1    0.365637    0.826177    0.568153    11.00000    0.08960    0.04492 =
         0.05683   -0.00076   -0.01484   -0.02459
C44   1    0.363719    0.815641    0.477965    11.00000    0.10898    0.05534 =
         0.05252    0.00405   -0.01634   -0.02708
AFIX  43
H44   2    0.367564    0.874675    0.428377    11.00000   -1.20000
AFIX   0
C45   1    0.355166    0.702684    0.476582    11.00000    0.07406    0.05932 =
         0.04732   -0.00713   -0.01168   -0.01513
N46   3    0.353673    0.648486    0.564143    11.00000    0.06143    0.04217 =
         0.04511   -0.00736   -0.01216   -0.01365
C47   1    0.373135    0.933654    0.604511    11.00000    0.17383    0.05512 =
         0.07526   -0.00048   -0.02543   -0.05357
AFIX 137
H47A  2    0.453123    0.921192    0.617855    11.00000   -1.50000
H47B  2    0.316670    0.945298    0.658774    11.00000   -1.50000
H47C  2    0.354422    1.003443    0.560237    11.00000   -1.50000
AFIX   0
C48   1    0.348761    0.642380    0.399930    11.00000    0.11416    0.07850 =
         0.05327   -0.01233   -0.02206   -0.02507
AFIX 137
H48A  2    0.359848    0.693830    0.343960    11.00000   -1.50000
H48B  2    0.271498    0.626278    0.407457    11.00000   -1.50000
H48C  2    0.410811    0.568195    0.399007    11.00000   -1.50000
AFIX   0
C49   1    0.340246    0.535434    0.604669    11.00000    0.05368    0.04002 =
         0.05435   -0.00835   -0.01412   -0.01020
N50   3    0.329513    0.510752    0.695368    11.00000    0.06527    0.04090 =
         0.05537   -0.00486   -0.01115   -0.01794
C51   1    0.318105    0.399308    0.709977    11.00000    0.08154    0.04369 =
         0.07146   -0.00085   -0.01854   -0.02190
AFIX  43
H51   2    0.309174    0.354046    0.766596    11.00000   -1.20000
AFIX   0
N52   3    0.321279    0.362630    0.633056    11.00000    0.08432    0.04302 =
         0.08421   -0.01474   -0.02320   -0.02146
N53   3    0.337074    0.450002    0.561235    11.00000    0.08519    0.04611 =
         0.06713   -0.01222   -0.02261   -0.01865
C54   1    0.312198    0.245963    0.616214    11.00000    0.13450    0.05079 =
         0.13317   -0.01890   -0.04323   -0.03891
AFIX 137
H54A  2    0.239758    0.257504    0.590944    11.00000   -1.50000
H54B  2    0.310361    0.192666    0.672181    11.00000   -1.50000
H54C  2    0.380563    0.211739    0.574549    11.00000   -1.50000
AFIX   0
B61   5    0.044200    0.332520    0.881115    11.00000    0.04367    0.05211 =
         0.08712   -0.01163   -0.01711   -0.01448
F62   6    0.163361    0.294378    0.879302    11.00000    0.07268    0.12756 =
         0.16445   -0.00352   -0.00989   -0.01738
F63   6    0.011425    0.317281    0.807493    11.00000    0.20781    0.23083 =
         0.23179   -0.09964   -0.12226    0.00554
F64   6   -0.010728    0.271701    0.952777    11.00000    0.15655    0.17021 =
         0.22763   -0.00155    0.04467   -0.06584
F65   6    0.005792    0.449443    0.892879    11.00000    0.14471    0.09640 =
         0.22189   -0.04175   -0.03170   -0.00678
PART 1
SAME  0.01 B61 > F65
B71   5    0.605004    0.028542    0.764308    21.00000    0.06459    0.06522 =
         0.07116    0.01746   -0.02886   -0.02360
F72   6    0.681336    0.096003    0.748424    21.00000    0.17840    0.12074 =
         0.21069    0.03792   -0.09186   -0.10103
F73   6    0.496800    0.095591    0.753365    21.00000    0.07951    0.19005 =
         0.15211    0.06200   -0.03684    0.01129
F74   6    0.615867   -0.052272    0.838762    21.00000    0.09268    0.10263 =
         0.13720    0.05800   -0.04956   -0.03905
F75   6    0.645192   -0.044216    0.699036    21.00000    0.25218    0.13393 =
         0.14749   -0.03707   -0.07470   -0.02744
PART 2
SAME  0.01 B61 > F65
B71B  5    0.602325    0.044649    0.767867   -21.00000    0.06860    0.09657 =
         0.04786    0.00902   -0.02021   -0.02875
F72B  6    0.704546    0.058978    0.718980   -21.00000    0.07494    0.18960 =
         0.12146    0.07912   -0.02764   -0.03056
F73B  6    0.530946    0.023990    0.719289   -21.00000    0.24272    0.21296 =
         0.17882    0.10000   -0.15749   -0.16414
F74B  6    0.618511   -0.029486    0.845352   -21.00000    0.12465    0.21490 =
         0.05138    0.03419   -0.02512   -0.03674
F75B  6    0.542688    0.151445    0.796659   -21.00000    0.21290    0.12851 =
         0.26887   -0.05098    0.03689   -0.03837

HKLF 4




REM  yg_D1Zn in P-1
REM wR2 = 0.1255, GooF = S = 1.034, Restrained GooF = 1.039 for all data
REM R1 = 0.0444 for 6352 Fo > 4sig(Fo) and 0.0501 for all 7205 data
REM 506 parameters refined using 110 restraints

END

WGHT      0.0712      0.7632

REM Highest difference peak  0.340,  deepest hole -0.389,  1-sigma level  0.044
Q1    1   0.1475  0.2410  0.8203  11.00000  0.05    0.34
Q2    1   0.6408 -0.1054  0.7637  11.00000  0.05    0.30
Q3    1  -0.0027  0.2395  0.9595  11.00000  0.05    0.26
Q4    1   0.0526  0.3156  0.9730  11.00000  0.05    0.26
Q5    1   0.0592  0.3404  0.9136  11.00000  0.05    0.26
Q6    1   0.6031  0.0838  0.8510  11.00000  0.05    0.25
Q7    1   0.0881  0.4414  0.8288  11.00000  0.05    0.24
Q8    1  -0.0016  0.3334  0.8895  11.00000  0.05    0.23
Q9    1   0.0431  0.3568  0.8512  11.00000  0.05    0.23
Q10   1   0.5705  0.7103  0.6607  11.00000  0.05    0.21
Q11   1   0.0979  0.5980  0.6747  11.00000  0.05    0.21
Q12   1  -0.0311  0.2886  0.8765  11.00000  0.05    0.20
Q13   1  -0.0206  0.2997  0.8192  11.00000  0.05    0.20
Q14   1   0.1543  0.8627  0.8366  11.00000  0.05    0.20
Q15   1  -0.0150  1.0425  0.8899  11.00000  0.05    0.19
Q16   1   0.3419  0.5735  0.4137  11.00000  0.05    0.19
Q17   1  -0.0562  0.4178  0.8699  11.00000  0.05    0.19
Q18   1   0.6781  0.4122  0.8171  11.00000  0.05    0.19
Q19   1   0.2429  0.9485  0.9158  11.00000  0.05    0.19
Q20   1   0.1842  0.7129  0.7694  11.00000  0.05    0.18
;
_shelx_res_checksum              49537

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   0   0   0    0.00    0.00   0
TITL yg_D1Zn in P-1
REM P-1 (#2 in standard setting)
CELL 0.71073  11.720385  11.736423  15.178415  79.5491  79.3260  73.1916
ZERR    4.00   0.000838   0.000993   0.000933   0.0063   0.0056   0.0071
LATT  1
SFAC C H N O Zn
UNIT 80.00 80.00 8.00 8.00 4.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum              89782

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   11    4   15     -0.14      0.00
   -6    5   15     -0.04      0.00
   -5    5   15     -0.43      0.00
   -4    5   15     -0.94      0.00
   -3    5   15     -1.14      0.00
   11    5   15      0.04      0.00
   -5    6   15      0.11      0.00
   -4    6   15      0.43      0.00
   -3    6   15      0.77      0.00
   11    6   15      0.25      0.00
   -4    7   15      0.16      0.00
   -3    7   15      0.37      0.00
   11    7   15      0.22      0.00
   -3    8   15     -0.02      0.00
   10    8   15     -0.04      0.00
   11    8   15      0.23      0.00
   -2    9   15     -0.04      0.00
   -1    9   15      0.00      0.00
    9    9   15      0.04      0.00
   10    9   15     -0.07      0.00
   -1   10   15     -0.11      0.00
    0   10   15      0.05      0.00
    8   10   15      0.44      0.00
    9   10   15      0.24      0.00
    1   11   15      0.04      0.00
    2   11   15      0.11      0.00
    3   11   15      0.11      0.00
    4   11   15      0.07      0.00
    5   11   15     -0.01      0.00
    6   11   15     -0.06      0.00
    7   11   15      0.02      0.00
    8   11   15      0.13      0.00
   -3   -6   16     -0.10      0.00
   -2   -6   16     -0.19      0.00
   -1   -6   16     -0.08      0.00
    0   -6   16     -0.02      0.00
    1   -6   16     -0.05      0.00
    2   -6   16      0.02      0.00
    3   -6   16      0.23      0.00
   -4   -5   16     -0.14      0.00
   -3   -5   16     -0.24      0.00
   -2   -5   16     -0.16      0.00
    3   -5   16      0.37      0.00
    4   -5   16      0.40      0.00
    5   -5   16      0.21      0.00
   -5   -4   16      0.06      0.00
   -4   -4   16      0.00      0.00
    5   -4   16     -0.07      0.00
    6   -4   16     -0.19      0.00
   -6   -3   16      0.05      0.00
   -5   -3   16     -0.26      0.00
    7   -3   16      0.08      0.00
   -6   -2   16      0.19      0.00
   -5   -2   16      0.19      0.00
    8   -2   16      0.00      0.00
   -6   -1   16      0.08      0.00
   -5   -1   16      0.08      0.00
    8   -1   16      0.18      0.00
    9   -1   16      0.01      0.00
   -6    0   16     -0.16      0.00
   -5    0   16     -0.10      0.00
    9    0   16     -0.10      0.00
   10    0   16     -0.03      0.00
   -6    1   16     -0.28      0.00
   -5    1   16     -0.30      0.00
   -4    1   16     -0.22      0.00
   10    1   16     -0.20      0.00
   -6    2   16      0.14      0.00
   -5    2   16      0.36      0.00
   -4    2   16      0.48      0.00
   10    2   16     -0.24      0.00
   -6    3   16      0.30      0.00
   -5    3   16      0.71      0.00
   -4    3   16      0.96      0.00
   -3    3   16      0.86      0.00
   10    3   16      0.32      0.00
   11    3   16      0.27      0.00
   -5    4   16     -0.17      0.00
   -4    4   16     -0.44      0.00
   -3    4   16     -0.64      0.00
   10    4   16      0.20      0.00
   11    4   16      0.09      0.00
   -5    5   16      0.23      0.00
   -4    5   16      0.48      0.00
   -3    5   16      0.62      0.00
   -2    5   16      0.50      0.00
   10    5   16     -0.21      0.00
   11    5   16     -0.11      0.00
   -4    6   16     -0.53      0.00
   -3    6   16     -0.93      0.00
   -2    6   16     -1.06      0.00
   10    6   16     -0.09      0.00
   11    6   16     -0.13      0.00
   -3    7   16     -0.22      0.00
   -2    7   16     -0.19      0.00
   10    7   16      0.08      0.00
   -2    8   16      0.25      0.00
   -1    8   16      0.40      0.00
    9    8   16      0.29      0.00
   10    8   16      0.20      0.00
   -1    9   16      0.09      0.00
    0    9   16     -0.05      0.00
    1    9   16     -0.29      0.00
    8    9   16     -0.05      0.00
    9    9   16     -0.05      0.00
    1   10   16     -0.09      0.00
    2   10   16      0.00      0.00
    3   10   16      0.18      0.00
    4   10   16      0.19      0.00
    5   10   16     -0.05      0.00
    6   10   16     -0.32      0.00
    7   10   16     -0.45      0.00
    8   10   16     -0.38      0.00
    3   11   16     -0.11      0.00
    4   11   16     -0.11      0.00
    5   11   16     -0.09      0.00
    6   11   16     -0.03      0.00
   -1   -5   17      0.09      0.00
    0   -5   17      0.09      0.00
    1   -5   17      0.04      0.00
    2   -5   17     -0.12      0.00
   -3   -4   17      0.05      0.00
   -2   -4   17      0.02      0.00
   -1   -4   17      0.12      0.00
    0   -4   17      0.15      0.00
    1   -4   17     -0.10      0.00
    2   -4   17     -0.43      0.00
    3   -4   17     -0.48      0.00
    4   -4   17     -0.20      0.00
    5   -4   17      0.10      0.00
   -4   -3   17      0.31      0.00
   -3   -3   17      0.24      0.00
   -2   -3   17      0.08      0.00
    4   -3   17      0.00      0.00
    5   -3   17      0.03      0.00
    6   -3   17     -0.03      0.00
   -4   -2   17     -0.17      0.00
   -3   -2   17     -0.27      0.00
    6   -2   17     -0.32      0.00
    7   -2   17     -0.24      0.00
   -5   -1   17      0.12      0.00
   -4   -1   17      0.12      0.00
    7   -1   17     -0.27      0.00
    8   -1   17     -0.07      0.00
   -5    0   17      0.16      0.00
   -4    0   17      0.08      0.00
    8    0   17      0.40      0.00
   -5    1   17      0.02      0.00
   -4    1   17     -0.05      0.00
    8    1   17      0.16      0.00
    9    1   17      0.13      0.00
   -5    2   17     -0.47      0.00
   -4    2   17     -0.73      0.00
   -3    2   17     -0.69      0.00
    9    2   17      0.12      0.00
   -4    3   17     -0.47      0.00
   -3    3   17     -0.43      0.00
    9    3   17     -0.17      0.00
   10    3   17     -0.21      0.00
   -4    4   17      0.41      0.00
   -3    4   17      0.73      0.00
    9    4   17     -0.04      0.00
   10    4   17     -0.09      0.00
   -3    5   17     -0.26      0.00
   -2    5   17     -0.24      0.00
    9    5   17     -0.05      0.00
   10    5   17      0.12      0.00
   -3    6   17      0.60      0.00
   -2    6   17      0.75      0.00
    9    6   17     -0.38      0.00
   10    6   17     -0.08      0.00
   -2    7   17     -0.07      0.00
   -1    7   17     -0.15      0.00
    0    7   17     -0.14      0.00
    8    7   17     -0.35      0.00
    9    7   17     -0.22      0.00
   -1    8   17     -0.35      0.00
    0    8   17     -0.38      0.00
    1    8   17     -0.20      0.00
    7    8   17      0.12      0.00
    8    8   17     -0.05      0.00
    9    8   17     -0.12      0.00
    1    9   17      0.08      0.00
    2    9   17      0.14      0.00
    3    9   17      0.08      0.00
    4    9   17     -0.04      0.00
    5    9   17     -0.14      0.00
    6    9   17     -0.20      0.00
    7    9   17     -0.20      0.00
    8    9   17     -0.11      0.00
    3   10   17     -0.15      0.00
    4   10   17     -0.12      0.00
    5   10   17      0.10      0.00
   -1   -3   18     -0.12      0.00
    0   -3   18     -0.07      0.00
    1   -3   18      0.02      0.00
    2   -3   18      0.05      0.00
    3   -3   18      0.02      0.00
    4   -3   18     -0.02      0.00
   -2   -2   18      0.15      0.00
   -1   -2   18      0.07      0.00
    0   -2   18      0.11      0.00
    1   -2   18      0.12      0.00
    2   -2   18      0.00      0.00
    3   -2   18     -0.14      0.00
    4   -2   18     -0.11      0.00
    5   -2   18      0.09      0.00
   -3   -1   18     -0.26      0.00
   -2   -1   18     -0.33      0.00
   -1   -1   18     -0.16      0.00
    4   -1   18      0.17      0.00
    5   -1   18      0.23      0.00
    6   -1   18      0.19      0.00
   -3    0   18     -0.15      0.00
   -2    0   18     -0.10      0.00
    6    0   18     -0.35      0.00
    7    0   18     -0.45      0.00
   -3    1   18      0.01      0.00
   -2    1   18      0.00      0.00
    6    1   18      0.01      0.00
    7    1   18     -0.06      0.00
    8    1   18     -0.04      0.00
   -3    2   18      0.37      0.00
   -2    2   18      0.33      0.00
    7    2   18      0.02      0.00
    8    2   18     -0.04      0.00
   -3    3   18     -0.01      0.00
   -2    3   18      0.01      0.00
    7    3   18     -0.04      0.00
    8    3   18      0.01      0.00
   -2    4   18     -0.53      0.00
   -1    4   18     -0.37      0.00
    7    4   18     -0.09      0.00
    8    4   18      0.00      0.00
   -2    5   18      0.21      0.00
   -1    5   18      0.08      0.00
    0    5   18     -0.21      0.00
    7    5   18      0.03      0.00
    8    5   18      0.19      0.00
   -1    6   18     -0.35      0.00
    0    6   18     -0.21      0.00
    1    6   18      0.05      0.00
    6    6   18      0.34      0.00
    7    6   18      0.42      0.00
    8    6   18      0.41      0.00
    0    7   18      0.14      0.00
    1    7   18      0.10      0.00
    2    7   18      0.02      0.00
    3    7   18      0.00      0.00
    4    7   18      0.07      0.00
    5    7   18      0.18      0.00
    6    7   18      0.25      0.00
    7    7   18      0.25      0.00
    8    7   18      0.14      0.00
    1    8   18      0.21      0.00
    2    8   18      0.07      0.00
    3    8   18     -0.15      0.00
    4    8   18     -0.36      0.00
    5    8   18     -0.44      0.00
    6    8   18     -0.34      0.00
    7    8   18     -0.12      0.00
    0   -1   19     -0.21      0.00
    1   -1   19     -0.34      0.00
    2   -1   19     -0.28      0.00
    3   -1   19     -0.18      0.00
   -1    0   19     -0.24      0.00
    0    0   19     -0.47      0.00
    1    0   19     -0.46      0.00
    2    0   19     -0.28      0.00
    3    0   19     -0.10      0.00
    4    0   19      0.03      0.00
    5    0   19      0.13      0.00
   -1    1   19     -0.21      0.00
    0    1   19     -0.24      0.00
    1    1   19     -0.08      0.00
    2    1   19      0.15      0.00
    3    1   19      0.27      0.00
    4    1   19      0.17      0.00
    5    1   19     -0.02      0.00
    6    1   19     -0.11      0.00
   -1    2   19     -0.26      0.00
    0    2   19     -0.27      0.00
    1    2   19     -0.18      0.00
    2    2   19      0.02      0.00
    3    2   19      0.21      0.00
    4    2   19      0.24      0.00
    5    2   19      0.13      0.00
    6    2   19     -0.01      0.00
   -1    3   19     -0.13      0.00
    0    3   19     -0.25      0.00
    1    3   19     -0.21      0.00
    2    3   19     -0.03      0.00
    3    3   19      0.13      0.00
    4    3   19      0.17      0.00
    5    3   19      0.13      0.00
    6    3   19      0.08      0.00
    0    4   19      0.16      0.00
    1    4   19      0.21      0.00
    2    4   19      0.25      0.00
    3    4   19      0.16      0.00
    4    4   19      0.04      0.00
    5    4   19      0.01      0.00
    6    4   19      0.05      0.00
    7    4   19      0.06      0.00
    0    5   19      0.06      0.00
    1    5   19      0.24      0.00
    2    5   19      0.20      0.00
    3    5   19     -0.05      0.00
    4    5   19     -0.25      0.00
    5    5   19     -0.24      0.00
    6    5   19     -0.10      0.00
    1    6   19     -0.15      0.00
    2    6   19     -0.34      0.00
    3    6   19     -0.35      0.00
    4    6   19     -0.25      0.00
    5    6   19     -0.17      0.00
    6    6   19     -0.19      0.00
    4    7   19      0.07      0.00
    0    0    0      0.00      0.00
# SQUEEZE RESULTS (Version =  81021)
# 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  0.000 -0.051  0.500       325        66 ' '
# 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    0    0     1.833
    3    0    0     5.508
   -3    1    0     6.250
   -2    1    0     4.514
    0    1    0     1.830
    1    1    0     2.222
    2    1    0     3.641
   -1    2    0     4.509
    0    3    0     5.496
   -1   -2    1     4.148
    0   -2    1     4.084
    1   -2    1     4.785
   -3   -1    1     5.753
   -2   -1    1     4.157
    0   -1    1     2.436
    1   -1    1     3.219
    4   -1    1     8.022
   -1    0    1     2.444
    0    0    1     1.378
    1    0    1     2.133
    3    0    1     5.486
    4    0    1     7.287
   -2    1    1     4.799
   -1    1    1     3.227
    0    1    1     2.136
    1    1    1     2.332
    2    1    1     3.612
    3    1    1     5.236
   -1    2    1     4.645
    0    2    1     3.733
    1    2    1     3.610
   -1   -2    2     5.002
    0   -2    2     4.876
    1   -2    2     5.412
   -3   -1    2     6.456
   -2   -1    2     5.012
   -1   -1    2     3.917
    1   -1    2     4.006
    2   -1    2     5.150
   -2    0    2     4.893
   -1    0    2     3.521
    0    0    2     2.757
   -2    1    2     5.431
   -1    1    2     4.019
    0    2    2     4.275
    2    2    2     4.667
   -1   -2    3     6.055
    0   -2    3     5.891
   -3   -1    3     7.356
   -2   -1    3     6.066
   -1   -1    3     5.126
    0   -1    3     4.747
    2   -1    3     5.944
    3   -1    3     7.205
   -2    0    3     5.910
   -1    0    3     4.758
    0    0    3     4.137
    2    0    3     5.131
   -3    1    3     7.793
   -2    1    3     6.309
   -1    1    3     5.071
    0    1    3     4.291
    2    1    3     4.905
   -2    2    3     7.172
    0    2    3     5.141
    1    2    3     4.909
    2    2    3     5.340
    3    2    3     6.302
    1    3    3     6.089
    2    3    3     6.302
    1    4    3     7.541
    2    4    3     7.597
   -1   -2    4     7.223
   -4    1    4    10.215
   -3    1    4     8.699
   -2    1    4     7.346
   -3    2    4     9.408
   -2    2    4     8.059
    1    2    4     5.947
    1    3    4     6.906
    1    4    4     8.174
    2    5    4     9.549
    0   -2    5     8.256
   -1   -1    5     7.729
   -3    1    5     9.723
   -2    1    5     8.486
   -2    2    5     9.074
   -1   -2    6     9.744
   -2    2    6    10.182
_platon_squeeze_void_probe_radius                  1.20
_platon_squeeze_details
)
TITL yg_D1Zn in P-1
CELL   11.7204   11.7364   15.1784     79.55     79.33     73.19
SPGR P-1
# Solvent Accessible Volume =       321
# Electrons Found in S.A.V. =        66
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
C101 1.000 0.500 0.500 !       1.99 eA-3
C102 0.968 0.682 0.474 !       1.42 eA-3
C103 0.004 0.155 0.562 !       1.23 eA-3
C104 0.996 0.845 0.438 !       1.23 eA-3
C105 0.980 0.972 0.487 !       1.06 eA-3
C106 1.000 1.000 0.500 !       1.04 eA-3
Q107 0.216 0.139 0.438 !       0.69 eA-3
C108 0.122 0.168 0.497 !       0.66 eA-3
)
;
_shelx_fab_checksum              71822

