# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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
_audit_block_doi                 10.5517/ccdc.csd.cc2jjjk5
_database_code_depnum_ccdc_archive 'CCDC 2339587'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.cgd.4c00367 2024
loop_
_audit_author_name
_audit_author_address
'Kafeel Ahmad Siddiqui'
;National Institute Technology Raipur
India
;
_audit_update_record             
;
2024-03-12 deposited with the CCDC.	2024-05-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C180 H174 N54 O42 Zn9 [+ solvent]'
_chemical_formula_sum            'C180 H174 N54 O42 Zn9 [+ solvent]'
_chemical_formula_weight         4354.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.64420(10)
_cell_length_b                   68.8042(5)
_cell_length_c                   25.80890(10)
_cell_angle_alpha                90
_cell_angle_beta                 102.4090(10)
_cell_angle_gamma                90
_cell_volume                     23662.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    78434
_cell_measurement_theta_min      1.7430
_cell_measurement_theta_max      68.0520

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_F_000             8952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    1.606
_shelx_estimated_absorpt_T_min   0.573
_shelx_estimated_absorpt_T_max   0.772
_exptl_absorpt_correction_T_min  0.86518
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.657
_oxdiff_exptl_absorpt_empirical_full_max 1.442
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      293(2)
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix3000'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            HyPix3000
_diffrn_detector_area_resol_mean 10.0000
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0110323000
_diffrn_orient_matrix_UB_12      -0.0041922000
_diffrn_orient_matrix_UB_13      -0.0596125000
_diffrn_orient_matrix_UB_21      0.0205330000
_diffrn_orient_matrix_UB_22      0.0215686000
_diffrn_orient_matrix_UB_23      -0.0096685000
_diffrn_orient_matrix_UB_31      0.1132454000
_diffrn_orient_matrix_UB_32      -0.0043147000
_diffrn_orient_matrix_UB_33      0.0093672000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  24.00   0.50    3.95    --   41.25 -11.00  30.00  118
  2  ω     75.00 161.00   0.50    3.95    --   94.50  50.00  30.00  172
  3  ω    102.00 163.00   0.50    3.95    --   94.50 112.00 147.00  122
  4  ω     79.00 165.00   0.50    3.95    --   94.50  25.00 150.00  172
  5  ω     79.00 165.00   0.50    3.95    --   94.50  25.00 -30.00  172
  6  ω     99.00 162.00   0.50    3.95    --   94.50 117.00-150.00  126
  7  ω     81.00 163.00   0.50    3.95    --   94.50 145.00 -60.00  164
  8  ω     28.00 109.00   0.50    3.95    --   41.25  32.00-120.00  162
  9  ω     28.00  57.00   0.50    3.95    --   94.50 -50.00 -60.00   58
 10  ω     28.00  57.00   0.50    3.95    --   94.50 -50.00-120.00   58
 11  ω     27.00  83.00   0.50    3.95    --   94.50 -68.00 -90.00  112
 12  ω     26.00  68.00   0.50    3.95    --   94.50 -59.00  30.00   84
 13  ω     27.00  83.00   0.50    3.95    --   94.50 -68.00  60.00  112
 14  ω     24.00  84.00   0.50    3.95    --   41.25-112.00  54.00  120
 15  ω     26.00 109.00   0.50    3.95    --   94.50-112.00  54.00  166
 16  ω     27.00  83.00   0.50    3.95    --   94.50 -68.00  90.00  112
 17  ω     20.00 106.00   0.50    3.95    --   94.50 -96.00  60.00  172
 18  ω     28.00  57.00   0.50    3.95    --   94.50 -50.00 -90.00   58
 19  ω     27.00  83.00   0.50    3.95    --   94.50 -68.00-150.00  112
 20  ω     28.00 109.00   0.50    3.95    --   94.50-117.00-120.00  162
 21  ω     28.00 109.00   0.50    3.95    --   94.50-117.00-180.00  162
 22  ω     18.00 109.00   0.50    3.95    --   41.25  65.00 -90.00  182
 23  ω     14.00 110.00   0.50    3.95    --   41.25  77.00 -30.00  192
 24  ω     14.00  99.00   0.50    3.95    --   41.25  77.00  90.00  170
 25  ω    -28.00  31.00   0.50    3.95    --  -41.25  21.00 -90.00  118
 26  ω    -28.00  31.00   0.50    3.95    --  -41.25  21.00-180.00  118
 27  ω    -38.00 -12.00   0.50    3.95    --  -80.25  33.00-120.00   52
 28  ω    -38.00 -12.00   0.50    3.95    --  -80.25  33.00 -90.00   52
 29  ω    -38.00 -12.00   0.50    3.95    --  -80.25  33.00 -60.00   52
 30  ω    -38.00 -12.00   0.50    3.95    --  -80.25  33.00 -30.00   52
 31  ω    -38.00 -12.00   0.50    3.95    --  -80.25  33.00   0.00   52
 32  ω    -38.00 -12.00   0.50    3.95    --  -80.25  33.00  90.00   52
 33  ω    -28.00  31.00   0.50    3.95    --  -41.25  21.00 120.00  118
 34  ω    -35.00  24.00   0.50    3.95    --   41.25 -11.00 -30.00  118
 35  ω    -35.00  24.00   0.50    3.95    --   41.25 -11.00-150.00  118
 36  ω    -68.00 -12.00   0.50    3.95    --  -80.25  59.00  90.00  112
 37  ω    -83.00  -2.00   0.50    3.95    --  -41.25 112.00 147.00  162
 38  ω    -83.00 -12.00   0.50    3.95    --  -80.25 112.00 147.00  142
 39  ω   -108.00 -21.00   0.50    3.95    --  -41.25 -54.00  30.00  174
 40  ω   -110.00 -14.00   0.50    3.95    --  -41.25 -77.00 150.00  192
 41  ω   -149.00 -80.00   0.50    3.95    --  -80.25-112.00  54.00  138
;
_diffrn_measurement_method       'ω scans'

_diffrn_reflns_number            230993
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -82
_diffrn_reflns_limit_k_max       82
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.867
_diffrn_reflns_theta_max         68.285
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             43000
_reflns_number_gt                30423
_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       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0914P)²+18.8412P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         43000
_refine_ls_number_parameters     2566
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0621
_refine_ls_wR_factor_ref         0.1983
_refine_ls_wR_factor_gt          0.1861
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_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 1.06095(3) 0.04041(2) 0.98788(2) 0.03907(10) Uani 1 1 d . . . . .
Zn2 Zn 0.44078(3) 0.12774(2) 1.01899(2) 0.04398(11) Uani 1 1 d . . . . .
Zn3 Zn 1.06069(3) -0.03720(2) 0.49923(2) 0.03548(10) Uani 1 1 d . . . . .
Zn4 Zn 0.43857(3) -0.12804(2) 0.49422(2) 0.04038(10) Uani 1 1 d . . . . .
Zn5 Zn 1.49761(2) -0.03571(2) 0.24637(2) 0.03500(10) Uani 1 1 d . . . . .
Zn6 Zn 0.00189(2) -0.13094(2) 0.74584(2) 0.03760(10) Uani 1 1 d . . . . .
Zn7 Zn 0.44017(3) 0.20345(2) 0.51031(2) 0.04409(11) Uani 1 1 d . . . . .
Zn8 Zn 0.43818(3) -0.20751(2) 1.00248(2) 0.04566(11) Uani 1 1 d . . . . .
Zn9 Zn -0.00179(2) -0.20250(2) 0.24128(2) 0.03769(10) Uani 1 1 d . . . . .
O1 O 0.11303(17) -0.16356(4) 0.80888(9) 0.0656(7) Uani 1 1 d . . . . .
O2 O 0.15638(19) -0.12520(4) 0.67419(10) 0.0755(8) Uani 1 1 d . . . . .
O3 O 0.3970(2) -0.16882(5) 0.74501(11) 0.0898(10) Uani 1 1 d . . . . .
O4 O 0.4312(2) -0.12046(4) 0.60113(10) 0.0806(8) Uani 1 1 d . . . . .
O5 O 0.36612(17) -0.14233(3) 0.54077(9) 0.0568(6) Uani 1 1 d . . . . .
O6 O 0.3745(2) -0.19010(4) 0.94621(11) 0.0765(7) Uani 1 1 d . . . . .
O7 O 0.4598(3) -0.20295(5) 0.89284(13) 0.1218(14) Uani 1 1 d . . . . .
O8 O 1.11767(19) -0.02145(3) 0.56197(9) 0.0608(6) Uani 1 1 d . . . . .
O9 O 1.0038(3) -0.03051(6) 0.60333(12) 0.1193(15) Uani 1 1 d . . . . .
O10 O 1.38537(15) 0.00587(3) 0.68338(8) 0.0521(5) Uani 1 1 d . . . . .
O11 O 1.13410(19) -0.00991(4) 0.76597(9) 0.0760(8) Uani 1 1 d . . . . .
O12 O 1.36705(19) 0.03481(4) 0.83746(9) 0.0737(8) Uani 1 1 d . . . . .
O13 O 1.12703(18) 0.02936(4) 0.93179(10) 0.0698(7) Uani 1 1 d . . . . .
O14 O 1.0332(2) 0.05136(5) 0.88323(11) 0.0855(8) Uani 1 1 d . . . . .
O15 O 0.3820(2) -0.14411(4) 0.43174(11) 0.0727(7) Uani 1 1 d . . . . .
O16 O 0.4882(3) -0.13389(6) 0.38820(15) 0.151(2) Uani 1 1 d . . . . .
O17 O 0.11380(16) -0.17185(4) 0.30900(9) 0.0581(6) Uani 1 1 d . . . . .
O18 O 0.3722(2) -0.15882(5) 0.22945(12) 0.1080(12) Uani 1 1 d . . . . .
O19 O 0.1385(2) -0.20384(5) 0.16057(11) 0.0983(11) Uani 1 1 d . . . . .
O20 O 0.3717(2) -0.19588(5) 0.05810(14) 0.0887(10) Uani 1 1 d . . . . .
O21 O 0.4591(3) -0.21814(6) 0.10712(14) 0.1126(13) Uani 1 1 d . . . . .
O22 O 0.1343(2) 0.13200(4) 1.17066(10) 0.0847(9) Uani 1 1 d . . . . .
O23 O 0.3657(2) 0.17684(4) 1.24284(11) 0.0856(9) Uani 1 1 d . . . . .
O24 O 1.0406(3) 0.03565(5) 0.09736(11) 0.1020(12) Uani 1 1 d . . . . .
O25 O 0.4663(3) 0.11706(5) 1.12320(13) 0.0991(10) Uani 1 1 d . . . . .
O26 O 0.3903(2) 0.16203(5) 0.75834(12) 0.1115(13) Uani 1 1 d . . . . .
O27 O 0.11421(16) 0.16074(3) 1.32483(8) 0.0551(5) Uani 1 1 d . . . . .
O28 O 0.4362(3) 0.21105(5) 0.61640(10) 0.0883(9) Uani 1 1 d . . . . .
O29 O 0.3732(2) 0.13893(5) 1.07492(12) 0.0821(8) Uani 1 1 d . . . . .
O30 O 0.3805(2) 0.18773(4) 1.44806(11) 0.0737(7) Uani 1 1 d . . . . .
O31 O 1.38723(17) -0.00306(4) 0.18267(9) 0.0621(6) Uani 1 1 d . . . . .
O32 O 1.34316(17) -0.04120(4) 0.31794(9) 0.0636(6) Uani 1 1 d . . . . .
O33 O 0.4675(3) 0.13285(5) 0.91086(12) 0.1125(13) Uani 1 1 d . . . . .
O34 O 0.11281(17) 0.17078(4) 0.82547(9) 0.0643(6) Uani 1 1 d . . . . .
O35 O 1.10298(18) 0.00241(4) 0.24608(10) 0.0765(8) Uani 1 1 d . . . . .
O36 O 0.1531(2) 0.20587(5) 0.68455(11) 0.0902(10) Uani 1 1 d . . . . .
O37 O 0.4966(3) 0.19627(6) 1.40682(13) 0.1237(15) Uani 1 1 d . . . . .
O38 O 0.37373(19) 0.14491(3) 0.96235(9) 0.0655(6) Uani 1 1 d . . . . .
O39 O 1.12761(17) 0.02289(3) 0.04450(8) 0.0558(6) Uani 1 1 d . . . . .
O40 O 1.13393(15) -0.02314(3) 0.45249(8) 0.0478(5) Uani 1 1 d . . . . .
O41 O 1.0697(2) -0.04492(4) 0.39238(10) 0.0725(7) Uani 1 1 d . . . . .
O42 O 0.36657(19) 0.18939(4) 0.55656(11) 0.0702(7) Uani 1 1 d . . . . .
N1 N 0.2526(2) -0.16763(4) 0.77534(10) 0.0536(7) Uani 1 1 d . . . . .
N2 N 0.2791(2) -0.14630(5) 0.70991(11) 0.0640(8) Uani 1 1 d . . . . .
N3 N 0.12686(17) -0.14512(4) 0.73855(9) 0.0445(6) Uani 1 1 d . . . . .
N4 N 1.25304(18) 0.01167(4) 0.80496(9) 0.0494(6) Uani 1 1 d . . . . .
N5 N 1.25824(18) -0.00241(4) 0.72369(9) 0.0461(6) Uani 1 1 d . . . . .
N6 N 1.38264(16) 0.02019(4) 0.76193(8) 0.0401(5) Uani 1 1 d . . . . .
N7 N 0.11965(17) -0.18752(4) 0.23303(9) 0.0458(6) Uani 1 1 d . . . . .
N8 N 0.2513(2) -0.18029(6) 0.19131(13) 0.0888(12) Uani 1 1 d . . . . .
N9 N 0.24418(19) -0.16486(4) 0.27002(10) 0.0527(7) Uani 1 1 d . . . . .
N10 N 0.76776(16) -0.01949(3) 0.45587(9) 0.0398(5) Uani 1 1 d . . . . .
N11 N 1.56813(17) -0.05475(4) 0.30217(9) 0.0415(5) Uani 1 1 d . . . . .
N12 N 1.43162(17) -0.05512(4) 0.19014(9) 0.0428(5) Uani 1 1 d . . . . .
N13 N 1.93161(18) -0.11159(4) 0.69083(9) 0.0440(6) Uani 1 1 d . . . . .
N14 N 0.12475(17) 0.18773(4) 0.75232(9) 0.0450(6) Uani 1 1 d . . . . .
N15 N 0.58674(17) 0.19952(3) 0.53655(9) 0.0429(5) Uani 1 1 d . . . . .
N16 N 1.10813(17) -0.06446(3) 0.51504(9) 0.0412(5) Uani 1 1 d . . . . .
N17 N 1.06819(17) -0.11189(4) -0.19710(9) 0.0436(6) Uani 1 1 d . . . . .
N19 N 0.91433(17) 0.03509(3) 0.96999(9) 0.0426(5) Uani 1 1 d . . . . .
N20 N 0.58553(17) -0.13159(3) 0.52089(9) 0.0410(5) Uani 1 1 d . . . . .
N21 N 0.73272(17) 0.18515(3) 0.55040(10) 0.0438(6) Uani 1 1 d . . . . .
N22 N 0.39158(17) -0.10071(3) 0.47846(10) 0.0437(6) Uani 1 1 d . . . . .
N23 N 0.11812(17) 0.14654(4) 1.24659(9) 0.0439(6) Uani 1 1 d . . . . .
N24 N -0.06911(18) -0.22220(4) 0.18605(9) 0.0458(6) Uani 1 1 d . . . . .
N25 N 0.39474(18) 0.23085(4) 0.49442(10) 0.0464(6) Uani 1 1 d . . . . .
N26 N 0.39832(18) 0.10042(4) 0.99967(11) 0.0506(6) Uani 1 1 d . . . . .
N27 N 0.77009(18) 0.31180(4) 0.47211(11) 0.0495(6) Uani 1 1 d . . . . .
N28 N 1.09795(19) -0.08919(4) -0.13686(10) 0.0491(6) Uani 1 1 d . . . . .
N29 N 1.60457(18) -0.07790(4) 0.36095(10) 0.0477(6) Uani 1 1 d . . . . .
N30 N 1.10378(18) 0.06768(4) 1.00745(10) 0.0470(6) Uani 1 1 d . . . . .
N31 N 1.10699(19) 0.26531(4) 0.51713(11) 0.0488(6) Uani 1 1 d . . . . .
N32 N 1.37325(16) -0.02146(4) 0.25319(8) 0.0407(5) Uani 1 1 d . . . . .
N33 N 0.77051(18) 0.02048(3) 0.96655(11) 0.0476(6) Uani 1 1 d . . . . .
N34 N 1.89607(19) -0.08792(4) 0.63336(10) 0.0484(6) Uani 1 1 d . . . . .
N35 N -0.0994(2) -0.24615(4) 0.12922(10) 0.0507(6) Uani 1 1 d . . . . .
N36 N 1.40235(19) -0.07823(4) 0.13110(10) 0.0494(6) Uani 1 1 d . . . . .
N37 N 1.1374(2) 0.09868(4) 1.00220(13) 0.0561(7) Uani 1 1 d . . . . .
N38 N 1.22032(18) -0.02009(4) 0.28180(9) 0.0505(6) Uani 1 1 d . . . . .
N39 N 0.73158(19) 0.14755(4) 1.04237(12) 0.0529(7) Uani 1 1 d . . . . .
N40 N 0.10179(19) -0.24355(4) 0.35934(10) 0.0496(6) Uani 1 1 d . . . . .
N41 N 0.24957(19) 0.16517(4) 0.79083(10) 0.0525(7) Uani 1 1 d . . . . .
N42 N 1.24732(18) 0.00101(4) 0.21586(9) 0.0476(6) Uani 1 1 d . . . . .
N43 N 0.35991(19) 0.26172(4) 0.50194(12) 0.0534(7) Uani 1 1 d . . . . .
N44 N 0.91450(16) -0.03375(3) 0.47154(9) 0.0388(5) Uani 1 1 d . . . . .
N45 N 0.2469(2) 0.15523(5) 1.20363(11) 0.0622(8) Uani 1 1 d . . . . .
N46 N 0.2740(2) 0.18463(6) 0.72184(13) 0.0904(12) Uani 1 1 d . . . . .
N47 N 0.24194(19) 0.16910(4) 1.28511(10) 0.0513(6) Uani 1 1 d . . . . .
N48 N 0.3641(2) 0.06947(4) 1.00549(13) 0.0573(7) Uani 1 1 d . . . . .
N49 N 0.06711(18) -0.22117(4) 0.29812(9) 0.0448(6) Uani 1 1 d . . . . .
N50 N 0.91494(18) 0.29726(3) 0.47779(10) 0.0442(6) Uani 1 1 d . . . . .
N51 N 1.14393(18) -0.09533(3) 0.50728(11) 0.0457(6) Uani 1 1 d . . . . .
N52 N 0.73171(17) -0.14591(3) 0.53576(10) 0.0442(6) Uani 1 1 d . . . . .
N53 N 0.35590(18) -0.06989(4) 0.48599(10) 0.0462(6) Uani 1 1 d . . . . .
N54 N 0.58746(18) 0.13290(4) 1.03791(10) 0.0445(6) Uani 1 1 d . . . . .
N55 N 1.14190(19) 0.23440(4) 0.51236(12) 0.0536(7) Uani 1 1 d . . . . .
C1 C 0.8595(2) -0.01992(4) 0.48706(11) 0.0396(6) Uani 1 1 d . . . . .
H1 H 0.881769 -0.011670 0.515712 0.048 Uiso 1 1 calc R U . . .
C2 C 0.6400(2) 0.18568(4) 0.52045(12) 0.0420(6) Uani 1 1 d . . . . .
H2 H 0.616119 0.177399 0.492051 0.050 Uiso 1 1 calc R U . . .
C3 C 0.8666(2) 0.02158(4) 0.99140(12) 0.0447(7) Uani 1 1 d . . . . .
H3 H 0.896178 0.013852 1.020069 0.054 Uiso 1 1 calc R U . . .
C4 C 0.4409(2) -0.03805(4) 0.49673(12) 0.0435(7) Uani 1 1 d . . . . .
C5 C 1.1188(2) -0.03002(4) 0.40620(12) 0.0425(7) Uani 1 1 d . . . . .
C6 C 0.6394(2) -0.14538(4) 0.50490(12) 0.0424(6) Uani 1 1 d . . . . .
H6 H 0.616398 -0.153582 0.476214 0.051 Uiso 1 1 calc R U . . .
C7 C 0.5997(2) -0.01634(4) 0.47390(12) 0.0405(6) Uani 1 1 d . . . . .
C8 C 0.4025(2) -0.08550(4) 0.51025(13) 0.0472(7) Uani 1 1 d . . . . .
H8 H 0.438227 -0.085644 0.545259 0.057 Uiso 1 1 calc R U . . .
C9 C 1.3372(2) 0.02275(5) 0.80283(11) 0.0472(7) Uani 1 1 d . . . . .
C10 C 1.3448(2) 0.00779(4) 0.72138(10) 0.0409(6) Uani 1 1 d . . . . .
C11 C 1.0973(2) -0.07975(4) 0.48307(12) 0.0445(7) Uani 1 1 d . . . . .
H11 H 1.061497 -0.079612 0.448067 0.053 Uiso 1 1 calc R U . . .
C12 C 1.3151(2) -0.02806(5) 0.28595(11) 0.0457(7) Uani 1 1 d . . . . .
C13 C 0.8655(2) 0.31076(4) 0.49809(12) 0.0463(7) Uani 1 1 d . . . . .
H13 H 0.893694 0.318557 0.526877 0.056 Uiso 1 1 calc R U . . .
C14 C 1.4640(2) -0.06388(5) 0.15206(11) 0.0453(7) Uani 1 1 d . . . . .
H14 H 1.522313 -0.060533 0.141034 0.054 Uiso 1 1 calc R U . . .
C15 C 0.1842(2) -0.13841(5) 0.70588(12) 0.0541(8) Uani 1 1 d . . . . .
C16 C 1.3393(2) -0.00770(4) 0.21592(11) 0.0433(7) Uani 1 1 d . . . . .
C17 C -0.3255(2) -0.24787(5) -0.04833(12) 0.0487(7) Uani 1 1 d . . . . .
C18 C 0.6058(2) 0.31503(4) 0.49519(15) 0.0539(8) Uani 1 1 d . . . . .
C19 C 0.3816(2) -0.13547(5) 0.58570(14) 0.0502(8) Uani 1 1 d . . . . .
C20 C 0.4431(2) -0.03317(4) 0.44500(12) 0.0467(7) Uani 1 1 d . . . . .
H20 H 0.391231 -0.037220 0.417537 0.056 Uiso 1 1 calc R U . . .
C21 C -0.1705(2) -0.25589(4) 0.03779(12) 0.0486(7) Uani 1 1 d . . . . .
C22 C 1.1711(2) -0.08031(5) -0.04470(12) 0.0494(7) Uani 1 1 d . . . . .
C23 C 1.0568(2) 0.20256(4) 0.50421(14) 0.0497(8) Uani 1 1 d . . . . .
C24 C 0.1592(2) 0.17446(5) 0.79095(11) 0.0458(7) Uani 1 1 d . . . . .
C25 C 1.0361(2) -0.10337(5) -0.15857(11) 0.0465(7) Uani 1 1 d . . . . .
H25 H 0.977623 -0.106770 -0.147745 0.056 Uiso 1 1 calc R U . . .
C26 C 0.1548(2) 0.15885(5) 1.28699(11) 0.0435(7) Uani 1 1 d . . . . .
C27 C 0.6355(2) 0.14663(4) 1.01727(12) 0.0475(7) Uani 1 1 d . . . . .
H27 H 0.606149 0.154564 0.989013 0.057 Uiso 1 1 calc R U . . .
C28 C 0.0358(2) -0.23012(5) 0.33652(11) 0.0462(7) Uani 1 1 d . . . . .
H28 H -0.024397 -0.227460 0.346495 0.055 Uiso 1 1 calc R U . . .
C29 C 1.0969(2) 0.24984(4) 0.48646(14) 0.0523(8) Uani 1 1 d . . . . .
H29 H 1.062663 0.249706 0.451170 0.063 Uiso 1 1 calc R U . . .
C30 C 1.5373(2) -0.06457(4) 0.33906(11) 0.0439(7) Uani 1 1 d . . . . .
H30 H 1.476288 -0.062515 0.348770 0.053 Uiso 1 1 calc R U . . .
C31 C 0.4487(2) 0.03761(4) 1.01559(14) 0.0488(7) Uani 1 1 d . . . . .
C32 C 1.9629(2) -0.10141(4) 0.65468(11) 0.0447(7) Uani 1 1 d . . . . .
H32 H 2.024110 -0.103346 0.645073 0.054 Uiso 1 1 calc R U . . .
C33 C 0.1558(2) -0.17467(5) 0.27218(11) 0.0444(7) Uani 1 1 d . . . . .
C34 C 0.9787(2) -0.14313(4) 0.55839(13) 0.0504(7) Uani 1 1 d . . . . .
H34 H 0.978462 -0.146563 0.593221 0.061 Uiso 1 1 calc R U . . .
C35 C 1.6760(2) -0.08695(5) 0.45321(12) 0.0492(7) Uani 1 1 d . . . . .
C36 C 0.7380(2) -0.13165(5) 0.57320(13) 0.0506(7) Uani 1 1 d . . . . .
H36 H 0.793594 -0.128551 0.599648 0.061 Uiso 1 1 calc R U . . .
C37 C 0.1638(2) 0.14395(5) 1.20566(12) 0.0566(9) Uani 1 1 d . . . . .
C38 C 0.6872(2) -0.00580(4) 0.46028(14) 0.0490(7) Uani 1 1 d . . . . .
H38A H 0.665427 0.001033 0.426919 0.059 Uiso 1 1 calc R U . . .
H38B H 0.712586 0.003732 0.487565 0.059 Uiso 1 1 calc R U . . .
C39 C 0.9819(2) -0.13317(5) 0.45519(13) 0.0518(8) Uani 1 1 d . . . . .
H39 H 0.982640 -0.129921 0.420299 0.062 Uiso 1 1 calc R U . . .
C40 C 0.8928(2) 0.15125(4) 1.01676(16) 0.0542(8) Uani 1 1 d . . . . .
C41 C 1.0570(2) -0.13234(4) 0.54746(13) 0.0495(7) Uani 1 1 d . . . . .
H41 H 1.109012 -0.128497 0.575076 0.059 Uiso 1 1 calc R U . . .
C42 C 0.8432(2) 0.04305(5) 0.92908(12) 0.0491(7) Uani 1 1 d . . . . .
H42 H 0.854666 0.052984 0.906679 0.059 Uiso 1 1 calc R U . . .
C43 C 0.7548(2) 0.03412(5) 0.92694(14) 0.0535(8) Uani 1 1 d . . . . .
H43 H 0.694688 0.036694 0.903170 0.064 Uiso 1 1 calc R U . . .
C44 C 1.1850(2) -0.00508(5) 0.24785(11) 0.0501(8) Uani 1 1 d . . . . .
C45 C 1.1226(3) -0.00674(5) 0.64476(12) 0.0541(8) Uani 1 1 d . . . . .
H45A H 1.141974 0.005145 0.629385 0.065 Uiso 1 1 calc R U . . .
H45B H 1.073526 -0.003460 0.665518 0.065 Uiso 1 1 calc R U . . .
C46 C 0.8463(2) 0.28929(5) 0.43617(13) 0.0506(7) Uani 1 1 d . . . . .
H46 H 0.859397 0.279391 0.414073 0.061 Uiso 1 1 calc R U . . .
C47 C 1.8381(2) -0.09316(5) 0.50802(13) 0.0554(8) Uani 1 1 d . . . . .
H47 H 1.897489 -0.100268 0.514691 0.067 Uiso 1 1 calc R U . . .
C48 C 0.5245(2) 0.02097(4) 0.95291(14) 0.0519(8) Uani 1 1 d . . . . .
H48 H 0.521323 0.016686 0.918410 0.062 Uiso 1 1 calc R U . . .
C49 C 1.0938(2) 0.08309(5) 0.97564(14) 0.0537(8) Uani 1 1 d . . . . .
H49 H 1.061342 0.083060 0.940060 0.064 Uiso 1 1 calc R U . . .
C50 C 0.4052(2) 0.24603(4) 0.52653(14) 0.0514(7) Uani 1 1 d . . . . .
H50 H 0.439648 0.245802 0.561773 0.062 Uiso 1 1 calc R U . . .
C51 C 0.4459(2) 0.29348(4) 0.51583(15) 0.0528(8) Uani 1 1 d . . . . .
C52 C 0.7399(2) 0.19961(5) 0.58739(13) 0.0509(7) Uani 1 1 d . . . . .
H52 H 0.796044 0.202762 0.613479 0.061 Uiso 1 1 calc R U . . .
C53 C 0.4074(2) 0.08507(5) 1.03146(14) 0.0540(8) Uani 1 1 d . . . . .
H53 H 0.439718 0.085173 1.067078 0.065 Uiso 1 1 calc R U . . .
C54 C 0.3835(3) 0.19620(5) 0.60105(17) 0.0593(9) Uani 1 1 d . . . . .
C55 C 1.6617(2) -0.06214(5) 0.30085(13) 0.0573(8) Uani 1 1 d . . . . .
H55 H 1.702540 -0.057917 0.278525 0.069 Uiso 1 1 calc R U . . .
C56 C 1.1664(3) -0.09542(5) -0.01038(13) 0.0592(9) Uani 1 1 d . . . . .
H56 H 1.109517 -0.103233 -0.015576 0.071 Uiso 1 1 calc R U . . .
C57 C -0.0367(2) -0.23182(5) 0.14955(12) 0.0486(7) Uani 1 1 d . . . . .
H57 H 0.022776 -0.229056 0.138961 0.058 Uiso 1 1 calc R U . . .
C58 C 0.9770(2) 0.14688(5) 1.05566(15) 0.0569(8) Uani 1 1 d . . . . .
H58 H 0.980445 0.150988 1.090334 0.068 Uiso 1 1 calc R U . . .
C59 C 1.0765(3) -0.02068(5) 0.60094(12) 0.0526(8) Uani 1 1 d . . . . .
C60 C 0.1673(3) -0.19121(6) 0.19371(13) 0.0642(10) Uani 1 1 d . . . . .
C61 C 1.0575(2) 0.19783(5) 0.55657(15) 0.0564(8) Uani 1 1 d . . . . .
H61 H 1.110847 0.201759 0.583350 0.068 Uiso 1 1 calc R U . . .
C62 C 0.5312(3) 0.03339(5) 1.05496(14) 0.0578(8) Uani 1 1 d . . . . .
H62 H 0.533608 0.037543 1.089503 0.069 Uiso 1 1 calc R U . . .
C63 C -0.1615(2) -0.24104(5) 0.00391(13) 0.0568(8) Uani 1 1 d . . . . .
H63 H -0.103047 -0.233650 0.009736 0.068 Uiso 1 1 calc R U . . .
C64 C 0.1813(2) 0.19330(6) 0.71789(13) 0.0624(10) Uani 1 1 d . . . . .
C65 C 0.3336(2) -0.09435(5) 0.43083(13) 0.0527(8) Uani 1 1 d . . . . .
H65 H 0.312995 -0.101923 0.400600 0.063 Uiso 1 1 calc R U . . .
C66 C 1.7381(3) -0.06768(5) 0.53069(13) 0.0579(9) Uani 1 1 d . . . . .
H66 H 1.729146 -0.057499 0.552924 0.070 Uiso 1 1 calc R U . . .
C67 C 0.7462(2) 0.13369(5) 1.08141(14) 0.0563(8) Uani 1 1 d . . . . .
H67 H 0.805881 0.130993 1.105436 0.068 Uiso 1 1 calc R U . . .
C68 C 1.1688(2) -0.01910(5) 0.36724(12) 0.0519(8) Uani 1 1 d . . . . .
H68A H 1.142201 -0.005979 0.362976 0.062 Uiso 1 1 calc R U . . .
H68B H 1.240222 -0.018192 0.382095 0.062 Uiso 1 1 calc R U . . .
C69 C 1.0556(2) 0.13650(5) 1.04359(15) 0.0589(9) Uani 1 1 d . . . . .
H69 H 1.111192 0.133555 1.070227 0.071 Uiso 1 1 calc R U . . .
C70 C 0.3117(2) -0.07535(5) 0.43533(14) 0.0565(8) Uani 1 1 d . . . . .
H70 H 0.273993 -0.067502 0.409108 0.068 Uiso 1 1 calc R U . . .
C71 C 0.6109(2) 0.02300(5) 1.04342(14) 0.0554(8) Uani 1 1 d . . . . .
H71 H 0.666120 0.020127 1.070341 0.067 Uiso 1 1 calc R U . . .
C72 C 0.2888(3) 0.15057(5) 0.83178(13) 0.0577(8) Uani 1 1 d . . . . .
H72A H 0.321249 0.140206 0.816275 0.069 Uiso 1 1 calc R U . . .
H72B H 0.233574 0.144956 0.844924 0.069 Uiso 1 1 calc R U . . .
C73 C 1.1876(2) -0.08993(5) 0.55789(14) 0.0558(8) Uani 1 1 d . . . . .
H73 H 1.225156 -0.097812 0.584104 0.067 Uiso 1 1 calc R U . . .
C74 C 1.1560(3) -0.10267(6) -0.19959(13) 0.0636(10) Uani 1 1 d . . . . .
H74 H 1.196457 -0.105664 -0.223263 0.076 Uiso 1 1 calc R U . . .
C75 C 1.8385(3) -0.10414(5) 0.69249(13) 0.0580(9) Uani 1 1 d . . . . .
H75 H 1.797190 -0.108498 0.714412 0.070 Uiso 1 1 calc R U . . .
C76 C 0.8990(2) 0.18612(5) 0.47801(14) 0.0556(8) Uani 1 1 d . . . . .
H76 H 0.846028 0.182041 0.451215 0.067 Uiso 1 1 calc R U . . .
C77 C 0.3562(2) -0.05029(4) 0.50884(14) 0.0524(8) Uani 1 1 d . . . . .
H77A H 0.363588 -0.051301 0.546974 0.063 Uiso 1 1 calc R U . . .
H77B H 0.292607 -0.043981 0.494480 0.063 Uiso 1 1 calc R U . . .
C78 C 1.6638(3) -0.07204(5) 0.48680(13) 0.0578(9) Uani 1 1 d . . . . .
H78 H 1.604856 -0.064806 0.479857 0.069 Uiso 1 1 calc R U . . .
C79 C 1.6843(3) -0.07645(5) 0.33711(14) 0.0616(9) Uani 1 1 d . . . . .
H79 H 1.742594 -0.083866 0.344417 0.074 Uiso 1 1 calc R U . . .
C80 C 0.4458(2) 0.03130(5) 0.96474(14) 0.0551(8) Uani 1 1 d . . . . .
H80 H 0.390066 0.034059 0.938018 0.066 Uiso 1 1 calc R U . . .
C81 C 1.1533(2) -0.02847(5) 0.31421(12) 0.0558(8) Uani 1 1 d . . . . .
H81A H 1.166112 -0.042305 0.318651 0.067 Uiso 1 1 calc R U . . .
H81B H 1.083982 -0.026776 0.295748 0.067 Uiso 1 1 calc R U . . .
C82 C 1.3437(3) -0.06427(6) 0.19307(13) 0.0617(9) Uani 1 1 d . . . . .
H82 H 1.303039 -0.061093 0.216484 0.074 Uiso 1 1 calc R U . . .
C83 C 0.9771(3) 0.19665(5) 0.46512(14) 0.0581(8) Uani 1 1 d . . . . .
H83 H 0.975530 0.199748 0.429877 0.070 Uiso 1 1 calc R U . . .
C84 C 1.2088(3) 0.01635(5) 0.17664(13) 0.0542(8) Uani 1 1 d . . . . .
H84A H 1.264723 0.022824 0.166199 0.065 Uiso 1 1 calc R U . . .
H84B H 1.172490 0.025948 0.192646 0.065 Uiso 1 1 calc R U . . .
C85 C 1.2133(2) -0.01573(5) 0.68021(12) 0.0525(8) Uani 1 1 d . . . . .
H85A H 1.193996 -0.027736 0.695040 0.063 Uiso 1 1 calc R U . . .
H85B H 1.262640 -0.018846 0.659461 0.063 Uiso 1 1 calc R U . . .
C86 C 0.5250(3) 0.29824(5) 0.55600(15) 0.0607(9) Uani 1 1 d . . . . .
H86 H 0.525101 0.294311 0.590496 0.073 Uiso 1 1 calc R U . . .
C87 C 0.2900(3) 0.16768(6) 1.24356(13) 0.0598(9) Uani 1 1 d . . . . .
C88 C 0.3593(3) 0.28125(5) 0.52519(17) 0.0626(9) Uani 1 1 d . . . . .
H88A H 0.363397 0.280076 0.563045 0.075 Uiso 1 1 calc R U . . .
H88B H 0.296649 0.287691 0.509686 0.075 Uiso 1 1 calc R U . . .
C89 C 0.4004(3) -0.19062(5) 0.90349(15) 0.0700(11) Uani 1 1 d . . . . .
C90 C 1.7636(3) -0.09760(5) 0.46432(13) 0.0571(8) Uani 1 1 d . . . . .
H90 H 1.772593 -0.107829 0.442250 0.069 Uiso 1 1 calc R U . . .
C91 C 0.4453(2) 0.29987(5) 0.46461(15) 0.0589(9) Uani 1 1 d . . . . .
H91 H 0.391237 0.296922 0.437058 0.071 Uiso 1 1 calc R U . . .
C92 C 1.1617(2) 0.25925(5) 0.56567(14) 0.0572(8) Uani 1 1 d . . . . .
H92 H 1.180697 0.267049 0.595565 0.069 Uiso 1 1 calc R U . . .
C93 C 1.2039(2) 0.01459(5) 0.85041(12) 0.0568(9) Uani 1 1 d . . . . .
H93A H 1.169604 0.002758 0.856663 0.068 Uiso 1 1 calc R U . . .
H93B H 1.254523 0.017428 0.882110 0.068 Uiso 1 1 calc R U . . .
C94 C 0.4199(3) -0.14465(6) 0.39258(14) 0.0678(10) Uani 1 1 d . . . . .
C95 C 0.6054(3) 0.30889(5) 0.54578(15) 0.0598(9) Uani 1 1 d . . . . .
H95 H 0.659180 0.311889 0.573398 0.072 Uiso 1 1 calc R U . . .
C96 C 0.3149(3) -0.16141(6) 0.74389(13) 0.0621(9) Uani 1 1 d . . . . .
C97 C 1.0947(3) 0.03768(6) 0.88807(14) 0.0645(10) Uani 1 1 d . . . . .
C98 C 1.8173(3) -0.08958(6) 0.65728(14) 0.0637(9) Uani 1 1 d . . . . .
H98 H 1.759429 -0.082036 0.650565 0.076 Uiso 1 1 calc R U . . .
C99 C 0.4220(3) 0.18670(5) 1.40899(15) 0.0663(10) Uani 1 1 d . . . . .
C100 C 1.3255(3) -0.07854(6) 0.15684(14) 0.0635(9) Uani 1 1 d . . . . .
H100 H 1.271017 -0.086976 0.150597 0.076 Uiso 1 1 calc R U . . .
C101 C 1.1408(3) 0.21457(4) 0.49086(17) 0.0623(9) Uani 1 1 d . . . . .
H10A H 1.204520 0.208314 0.505304 0.075 Uiso 1 1 calc R U . . .
H10B H 1.132673 0.215214 0.452625 0.075 Uiso 1 1 calc R U . . .
C102 C 0.4042(3) 0.14457(5) 0.91999(14) 0.0665(10) Uani 1 1 d . . . . .
C103 C 0.3749(3) 0.17295(5) 1.36501(15) 0.0686(10) Uani 1 1 d . . . . .
H10C H 0.424271 0.169329 1.344748 0.082 Uiso 1 1 calc R U . . .
H10D H 0.353390 0.161224 1.380224 0.082 Uiso 1 1 calc R U . . .
C104 C 1.1564(2) 0.07394(5) 1.05600(14) 0.0570(8) Uani 1 1 d . . . . .
H104 H 1.174502 0.066220 1.086122 0.068 Uiso 1 1 calc R U . . .
C105 C 1.1407(3) 0.00792(5) 0.12861(13) 0.0676(10) Uani 1 1 d . . . . .
H10E H 1.085181 0.001378 0.139227 0.081 Uiso 1 1 calc R U . . .
H10F H 1.177284 -0.001679 0.112725 0.081 Uiso 1 1 calc R U . . .
C106 C 1.1832(3) 0.24024(5) 0.56292(16) 0.0627(9) Uani 1 1 d . . . . .
H106 H 1.219130 0.232574 0.590146 0.075 Uiso 1 1 calc R U . . .
C107 C 1.9054(3) -0.07423(5) 0.59087(14) 0.0657(10) Uani 1 1 d . . . . .
H10G H 1.971417 -0.075471 0.582823 0.079 Uiso 1 1 calc R U . . .
H10H H 1.898091 -0.061018 0.602566 0.079 Uiso 1 1 calc R U . . .
C108 C 1.5959(3) -0.09130(5) 0.40410(14) 0.0679(10) Uani 1 1 d . . . . .
H10I H 1.603159 -0.104577 0.392871 0.081 Uiso 1 1 calc R U . . .
H10J H 1.530109 -0.089982 0.412262 0.081 Uiso 1 1 calc R U . . .
C109 C 0.1795(3) -0.24323(6) 0.33429(14) 0.0643(9) Uani 1 1 d . . . . .
H109 H 0.236094 -0.251127 0.341587 0.077 Uiso 1 1 calc R U . . .
C110 C 1.0861(3) -0.07690(6) -0.09215(14) 0.0673(10) Uani 1 1 d . . . . .
H11A H 1.022616 -0.079824 -0.082675 0.081 Uiso 1 1 calc R U . . .
H11B H 1.085216 -0.063342 -0.102525 0.081 Uiso 1 1 calc R U . . .
C111 C 1.1777(3) 0.09300(5) 1.05327(17) 0.0664(10) Uani 1 1 d . . . . .
H111 H 1.212807 0.100755 1.080575 0.080 Uiso 1 1 calc R U . . .
C112 C 0.3472(3) -0.13742(6) 0.67782(13) 0.0635(9) Uani 1 1 d . . . . .
H11C H 0.333327 -0.123628 0.673306 0.076 Uiso 1 1 calc R U . . .
H11D H 0.416552 -0.138973 0.696385 0.076 Uiso 1 1 calc R U . . .
C113 C 0.3245(3) 0.07500(5) 0.95399(17) 0.0666(10) Uani 1 1 d . . . . .
H113 H 0.290407 0.067138 0.926677 0.080 Uiso 1 1 calc R U . . .
C114 C 0.3629(3) 0.15957(5) 0.87723(14) 0.0728(11) Uani 1 1 d . . . . .
H11E H 0.330347 0.169945 0.892631 0.087 Uiso 1 1 calc R U . . .
H11F H 0.417986 0.165196 0.863996 0.087 Uiso 1 1 calc R U . . .
C115 C 1.1749(3) -0.08861(6) -0.16256(14) 0.0658(10) Uani 1 1 d . . . . .
H115 H 1.229545 -0.080197 -0.155922 0.079 Uiso 1 1 calc R U . . .
C116 C 1.4147(3) -0.09108(6) 0.08724(14) 0.0657(10) Uani 1 1 d . . . . .
H11G H 1.413993 -0.104549 0.098266 0.079 Uiso 1 1 calc R U . . .
H11H H 1.478721 -0.088516 0.077975 0.079 Uiso 1 1 calc R U . . .
C117 C 0.2908(3) -0.18312(5) 0.81408(14) 0.0607(9) Uani 1 1 d . . . . .
H11I H 0.325265 -0.192854 0.797433 0.073 Uiso 1 1 calc R U . . .
H11J H 0.234869 -0.189385 0.825047 0.073 Uiso 1 1 calc R U . . .
C118 C 0.2961(3) 0.15272(6) 1.15705(14) 0.0678(10) Uani 1 1 d . . . . .
H11K H 0.245632 0.149772 1.125421 0.081 Uiso 1 1 calc R U . . .
H11L H 0.329319 0.164707 1.150895 0.081 Uiso 1 1 calc R U . . .
C119 C 0.4062(3) 0.13019(8) 1.11877(18) 0.0773(12) Uani 1 1 d . . . . .
C120 C 0.3451(2) 0.09414(5) 0.95102(15) 0.0606(9) Uani 1 1 d . . . . .
H120 H 0.326356 0.101841 0.920911 0.073 Uiso 1 1 calc R U . . .
C121 C 0.3102(3) 0.17011(6) 0.75717(15) 0.0744(12) Uani 1 1 d . . . . .
C122 C 1.1372(3) 0.11847(5) 0.98012(18) 0.0683(11) Uani 1 1 d . . . . .
H12A H 1.130513 0.117681 0.941997 0.082 Uiso 1 1 calc R U . . .
H12B H 1.200599 0.124773 0.995030 0.082 Uiso 1 1 calc R U . . .
C123 C -0.0888(3) -0.25950(5) 0.08647(15) 0.0687(10) Uani 1 1 d . . . . .
H12C H -0.092713 -0.272816 0.098230 0.082 Uiso 1 1 calc R U . . .
H12D H -0.023701 -0.257656 0.077778 0.082 Uiso 1 1 calc R U . . .
C124 C 0.6947(3) 0.32563(5) 0.48223(18) 0.0676(10) Uani 1 1 d . . . . .
H12E H 0.672232 0.333719 0.451153 0.081 Uiso 1 1 calc R U . . .
H12F H 0.724393 0.334018 0.511630 0.081 Uiso 1 1 calc R U . . .
C125 C 0.8061(3) 0.16165(5) 1.03167(19) 0.0714(11) Uani 1 1 d . . . . .
H12G H 0.830116 0.169527 1.062993 0.086 Uiso 1 1 calc R U . . .
H12H H 0.774813 0.170215 1.002997 0.086 Uiso 1 1 calc R U . . .
C126 C 0.4014(4) -0.20460(10) 0.1024(2) 0.101(2) Uani 1 1 d . . . . .
C127 C 0.3632(3) 0.04968(5) 1.02714(17) 0.0663(10) Uani 1 1 d . . . . .
H12I H 0.299892 0.043442 1.011640 0.080 Uiso 1 1 calc R U . . .
H12J H 0.368716 0.050395 1.065195 0.080 Uiso 1 1 calc R U . . .
C128 C 0.3610(4) -0.17511(6) 0.86151(16) 0.0812(12) Uani 1 1 d . . . . .
H12K H 0.326809 -0.165082 0.877276 0.097 Uiso 1 1 calc R U . . .
H12L H 0.417441 -0.169104 0.850377 0.097 Uiso 1 1 calc R U . . .
C129 C 1.1317(3) 0.03064(7) 0.83979(15) 0.0795(12) Uani 1 1 d . . . . .
H12M H 1.074327 0.026506 0.812948 0.095 Uiso 1 1 calc R U . . .
H12N H 1.162685 0.041472 0.825338 0.095 Uiso 1 1 calc R U . . .
C130 C 0.5208(2) -0.02242(4) 0.43355(12) 0.0460(7) Uani 1 1 d . . . . .
H130 H 0.520597 -0.019185 0.398541 0.055 Uiso 1 1 calc R U . . .
C131 C 0.3491(3) 0.19443(7) 0.69002(17) 0.0845(12) Uani 1 1 d . . . . .
H13A H 0.335645 0.208225 0.685002 0.101 Uiso 1 1 calc R U . . .
H13B H 0.418342 0.192665 0.708556 0.101 Uiso 1 1 calc R U . . .
C132 C 0.8990(2) 0.18161(4) 0.53010(14) 0.0481(7) Uani 1 1 d . . . . .
C133 C 1.0590(2) -0.12717(4) 0.49590(13) 0.0434(7) Uani 1 1 d . . . . .
C134 C 0.8529(2) -0.04259(4) 0.42853(12) 0.0446(7) Uani 1 1 d . . . . .
H134 H 0.871014 -0.052941 0.409387 0.054 Uiso 1 1 calc R U . . .
C135 C 0.9005(2) -0.14886(4) 0.51778(13) 0.0470(7) Uani 1 1 d . . . . .
C136 C 1.8257(2) -0.07843(4) 0.54165(12) 0.0472(7) Uani 1 1 d . . . . .
C137 C 0.6470(2) -0.12294(4) 0.56404(12) 0.0470(7) Uani 1 1 d . . . . .
H137 H 0.628808 -0.112748 0.583720 0.056 Uiso 1 1 calc R U . . .
C138 C 0.7624(2) -0.03387(4) 0.41870(12) 0.0464(7) Uani 1 1 d . . . . .
H138 H 0.707246 -0.036999 0.391981 0.056 Uiso 1 1 calc R U . . .
C139 C 1.3303(2) -0.08756(4) 0.03947(12) 0.0472(7) Uani 1 1 d . . . . .
C140 C 0.6088(2) 0.01690(4) 0.99235(14) 0.0493(8) Uani 1 1 d . . . . .
C141 C 0.5180(2) -0.03169(4) 0.53710(12) 0.0470(7) Uani 1 1 d . . . . .
H141 H 0.517319 -0.034683 0.572158 0.056 Uiso 1 1 calc R U . . .
C142 C 0.5963(2) -0.02085(4) 0.52547(12) 0.0469(7) Uani 1 1 d . . . . .
H142 H 0.647412 -0.016558 0.552990 0.056 Uiso 1 1 calc R U . . .
C143 C 0.9796(2) 0.18736(4) 0.56922(14) 0.0532(8) Uani 1 1 d . . . . .
H143 H 0.981361 0.184148 0.604408 0.064 Uiso 1 1 calc R U . . .
C144 C 0.6497(2) 0.20836(4) 0.57850(12) 0.0486(7) Uani 1 1 d . . . . .
H144 H 0.632754 0.218781 0.597783 0.058 Uiso 1 1 calc R U . . .
C145 C 0.9028(2) -0.14411(5) 0.46636(13) 0.0524(8) Uani 1 1 d . . . . .
H145 H 0.851326 -0.148210 0.438789 0.063 Uiso 1 1 calc R U . . .
C146 C 1.2102(2) -0.00084(5) 0.76530(12) 0.0503(8) Uani 1 1 d . . . . .
C147 C 1.1657(2) -0.07090(5) 0.56258(12) 0.0491(7) Uani 1 1 d . . . . .
H147 H 1.186150 -0.063385 0.592933 0.059 Uiso 1 1 calc R U . . .
C148 C 1.0524(2) 0.13046(4) 0.99223(15) 0.0540(8) Uani 1 1 d . . . . .
C149 C 0.1611(2) -0.15886(5) 0.77571(12) 0.0486(7) Uani 1 1 d . . . . .
C150 C 1.3349(3) -0.07266(5) 0.00503(13) 0.0577(9) Uani 1 1 d . . . . .
H150 H 1.392188 -0.064957 0.009937 0.069 Uiso 1 1 calc R U . . .
C152 C -0.3338(3) -0.26293(5) -0.01470(13) 0.0593(9) Uani 1 1 d . . . . .
H152 H -0.391627 -0.270492 -0.020969 0.071 Uiso 1 1 calc R U . . .
C153 C 1.0997(3) 0.02348(5) 0.08754(13) 0.0583(9) Uani 1 1 d . . . . .
C154 C 0.6578(2) 0.12480(5) 1.07823(13) 0.0512(8) Uani 1 1 d . . . . .
H154 H 0.645953 0.114682 1.099987 0.061 Uiso 1 1 calc R U . . .
C155 C 0.8118(2) 0.17127(4) 0.54498(15) 0.0552(8) Uani 1 1 d . . . . .
H15A H 0.784761 0.161761 0.517915 0.066 Uiso 1 1 calc R U . . .
H15B H 0.834608 0.164427 0.578247 0.066 Uiso 1 1 calc R U . . .
C156 C 0.5250(2) 0.31061(5) 0.45465(15) 0.0581(9) Uani 1 1 d . . . . .
H156 H 0.524100 0.314894 0.420370 0.070 Uiso 1 1 calc R U . . .
C157 C 0.8116(2) -0.15955(4) 0.53039(15) 0.0547(8) Uani 1 1 d . . . . .
H15C H 0.786076 -0.168767 0.502305 0.066 Uiso 1 1 calc R U . . .
H15D H 0.832894 -0.166754 0.563190 0.066 Uiso 1 1 calc R U . . .
C158 C 0.7571(2) 0.29816(5) 0.43271(14) 0.0559(8) Uani 1 1 d . . . . .
H158 H 0.698021 0.295506 0.408192 0.067 Uiso 1 1 calc R U . . .
C159 C 1.1436(2) -0.11489(4) 0.48439(14) 0.0522(8) Uani 1 1 d . . . . .
H15E H 1.207080 -0.121207 0.498884 0.063 Uiso 1 1 calc R U . . .
H15F H 1.136703 -0.113826 0.446306 0.063 Uiso 1 1 calc R U . . .
C160 C -0.2383(3) -0.23697(5) -0.03878(13) 0.0573(8) Uani 1 1 d . . . . .
H160 H -0.231543 -0.226780 -0.061428 0.069 Uiso 1 1 calc R U . . .
C161 C 1.2452(3) -0.09905(5) 0.03152(13) 0.0589(9) Uani 1 1 d . . . . .
H161 H 1.241343 -0.109261 0.054603 0.071 Uiso 1 1 calc R U . . .
C162 C 0.3396(2) 0.23737(5) 0.44639(14) 0.0566(8) Uani 1 1 d . . . . .
H162 H 0.319894 0.229915 0.415868 0.068 Uiso 1 1 calc R U . . .
C163 C 0.1591(3) -0.22938(5) 0.29697(13) 0.0600(9) Uani 1 1 d . . . . .
H163 H 0.200230 -0.225861 0.274059 0.072 Uiso 1 1 calc R U . . .
C164 C -0.1586(3) -0.23074(6) 0.18893(13) 0.0651(10) Uani 1 1 d . . . . .
H164 H -0.199542 -0.226989 0.211669 0.078 Uiso 1 1 calc R U . . .
C166 C 0.2864(3) 0.18225(5) 1.32888(13) 0.0550(8) Uani 1 1 d . . . . .
H16A H 0.236348 0.185563 1.348988 0.066 Uiso 1 1 calc R U . . .
H16B H 0.307649 0.194169 1.314449 0.066 Uiso 1 1 calc R U . . .
C167 C 1.2566(3) -0.06896(5) -0.03646(13) 0.0588(9) Uani 1 1 d . . . . .
H167 H 1.260803 -0.058712 -0.059389 0.071 Uiso 1 1 calc R U . . .
C168 C 0.3298(3) 0.18464(6) 0.64149(16) 0.0814(12) Uani 1 1 d . . . . .
H16C H 0.258026 0.183994 0.627307 0.098 Uiso 1 1 calc R U . . .
H16D H 0.355619 0.171481 0.646319 0.098 Uiso 1 1 calc R U . . .
C169 C -0.2573(3) -0.26698(5) 0.02827(13) 0.0596(9) Uani 1 1 d . . . . .
H169 H -0.263998 -0.277169 0.050930 0.072 Uiso 1 1 calc R U . . .
C170 C 0.3191(3) 0.25648(5) 0.45116(16) 0.0624(9) Uani 1 1 d . . . . .
H170 H 0.283611 0.264505 0.424637 0.075 Uiso 1 1 calc R U . . .
C171 C 0.3320(3) -0.14674(5) 0.62625(13) 0.0632(9) Uani 1 1 d . . . . .
H17A H 0.260542 -0.147880 0.611710 0.076 Uiso 1 1 calc R U . . .
H17B H 0.359689 -0.159772 0.630715 0.076 Uiso 1 1 calc R U . . .
C172 C 0.9702(3) 0.13502(5) 0.95343(15) 0.0641(9) Uani 1 1 d . . . . .
H172 H 0.967592 0.131109 0.918668 0.077 Uiso 1 1 calc R U . . .
C173 C 0.3755(3) -0.15912(5) 0.34935(14) 0.0678(10) Uani 1 1 d . . . . .
H17C H 0.426358 -0.162761 0.330029 0.081 Uiso 1 1 calc R U . . .
H17D H 0.355231 -0.170756 0.365471 0.081 Uiso 1 1 calc R U . . .
C174 C 0.8908(3) 0.14540(5) 0.96540(16) 0.0642(9) Uani 1 1 d . . . . .
H174 H 0.835653 0.148444 0.938581 0.077 Uiso 1 1 calc R U . . .
C175 C 0.2945(3) -0.16759(6) 0.23036(14) 0.0724(11) Uani 1 1 d . . . . .
C176 C 0.0917(3) -0.25621(6) 0.40368(15) 0.0689(10) Uani 1 1 d . . . . .
H17E H 0.027030 -0.254018 0.412573 0.083 Uiso 1 1 d R U . . .
H17F H 0.094850 -0.269698 0.393273 0.083 Uiso 1 1 d R U . . .
C177 C -0.1778(3) -0.24539(6) 0.15375(14) 0.0691(10) Uani 1 1 d . . . . .
H177 H -0.233894 -0.253428 0.147453 0.083 Uiso 1 1 calc R U . . .
C178 C 0.2873(3) -0.15080(5) 0.31174(13) 0.0581(8) Uani 1 1 d . . . . .
H17G H 0.236601 -0.147105 0.331077 0.070 Uiso 1 1 calc R U . . .
H17H H 0.307674 -0.139196 0.295490 0.070 Uiso 1 1 calc R U . . .
C179 C 0.6964(2) 0.00646(5) 0.97803(17) 0.0621(9) Uani 1 1 d . . . . .
H17I H 0.727888 -0.001875 1.007184 0.075 Uiso 1 1 calc R U . . .
H17J H 0.672676 -0.001662 0.947162 0.075 Uiso 1 1 calc R U . . .
C180 C 0.3654(3) -0.19785(8) 0.1558(2) 0.1013(16) Uani 1 1 d . . . . .
H18A H 0.332853 -0.208563 0.169872 0.122 Uiso 1 1 calc R U . . .
H18B H 0.422704 -0.193733 0.182728 0.122 Uiso 1 1 calc R U . . .
C181 C 0.2992(3) -0.18265(7) 0.14203(16) 0.0859(13) Uani 1 1 d . . . . .
H18C H 0.248615 -0.185739 0.110537 0.103 Uiso 1 1 calc R U . . .
H18D H 0.334013 -0.170898 0.135613 0.103 Uiso 1 1 calc R U . . .
C182 C 0.3680(3) 0.13727(8) 1.16751(18) 0.0899(14) Uani 1 1 d . . . . .
H18E H 0.338007 0.126352 1.182145 0.108 Uiso 1 1 calc R U . . .
H18F H 0.425084 0.141592 1.194296 0.108 Uiso 1 1 calc R U . . .


_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 O39 1.961(2) 1_556 ?
Zn1 N19 1.988(2) . ?
Zn1 N30 1.998(3) . ?
Zn1 O13 2.012(2) . ?
Zn2 O38 1.948(2) . ?
Zn2 N54 1.987(2) . ?
Zn2 N26 1.998(3) . ?
Zn2 O29 2.025(3) . ?
Zn3 O8 1.964(2) . ?
Zn3 O40 1.9767(19) . ?
Zn3 N44 1.983(2) . ?
Zn3 N16 1.998(2) . ?
Zn4 O15 1.971(2) . ?
Zn4 O5 1.974(2) . ?
Zn4 N20 1.990(2) . ?
Zn4 N22 2.000(2) . ?
Zn5 N32 2.000(2) . ?
Zn5 N6 2.001(2) 3_856 ?
Zn5 N11 2.030(2) . ?
Zn5 N12 2.034(2) . ?
Zn6 N23 2.002(2) 3_557 ?
Zn6 N3 2.008(2) . ?
Zn6 N13 2.031(2) 1_355 ?
Zn6 N17 2.033(2) 1_456 ?
Zn7 O30 1.963(3) 1_554 ?
Zn7 O42 1.971(2) . ?
Zn7 N15 1.987(2) . ?
Zn7 N25 1.999(2) . ?
Zn8 O6 1.938(3) . ?
Zn8 N50 1.986(2) 2_646 ?
Zn8 N31 2.000(3) 2_646 ?
Zn8 O20 2.021(3) 1_556 ?
Zn9 N14 1.998(2) 3_556 ?
Zn9 N7 2.001(2) . ?
Zn9 N49 2.023(2) . ?
Zn9 N24 2.037(2) . ?
O1 C149 1.228(4) . ?
O2 C15 1.227(4) . ?
O3 C96 1.225(4) . ?
O4 C19 1.252(4) . ?
O5 C19 1.228(4) . ?
O6 C89 1.228(4) . ?
O7 C89 1.244(5) . ?
O8 C59 1.254(4) . ?
O9 C59 1.214(4) . ?
O10 C10 1.232(3) . ?
O11 C146 1.214(4) . ?
O12 C9 1.223(4) . ?
O13 C97 1.257(4) . ?
O14 C97 1.249(5) . ?
O15 C94 1.230(4) . ?
O16 C94 1.214(4) . ?
O17 C33 1.226(3) . ?
O18 C175 1.225(4) . ?
O19 C60 1.223(4) . ?
O20 C126 1.278(7) . ?
O21 C126 1.208(7) . ?
O22 C37 1.224(4) . ?
O23 C87 1.214(4) . ?
O24 C153 1.226(4) . ?
O25 C119 1.208(5) . ?
O26 C121 1.221(4) . ?
O27 C26 1.229(3) . ?
O28 C54 1.263(5) . ?
O29 C119 1.275(5) . ?
O30 C99 1.260(4) . ?
O31 C16 1.227(3) . ?
O32 C12 1.228(4) . ?
O33 C102 1.241(4) . ?
O34 C24 1.225(3) . ?
O35 C44 1.224(4) . ?
O36 C64 1.222(4) . ?
O37 C99 1.224(5) . ?
O38 C102 1.250(4) . ?
O39 C153 1.250(4) . ?
O40 C5 1.260(3) . ?
O41 C5 1.235(4) . ?
O42 C54 1.216(5) . ?
N1 C96 1.364(4) . ?
N1 C149 1.389(4) . ?
N1 C117 1.478(4) . ?
N2 C96 1.380(4) . ?
N2 C15 1.387(4) . ?
N2 C112 1.501(4) . ?
N3 C15 1.349(4) . ?
N3 C149 1.356(4) . ?
N4 C146 1.369(4) . ?
N4 C9 1.390(4) . ?
N4 C93 1.484(3) . ?
N5 C146 1.378(4) . ?
N5 C10 1.387(4) . ?
N5 C85 1.477(4) . ?
N6 C9 1.345(3) . ?
N6 C10 1.363(4) . ?
N7 C60 1.342(4) . ?
N7 C33 1.353(4) . ?
N8 C175 1.368(4) . ?
N8 C60 1.383(4) . ?
N8 C181 1.558(5) . ?
N9 C175 1.363(4) . ?
N9 C33 1.393(4) . ?
N9 C178 1.473(4) . ?
N10 C1 1.335(3) . ?
N10 C138 1.369(4) . ?
N10 C38 1.470(3) . ?
N11 C30 1.308(4) . ?
N11 C55 1.381(4) . ?
N12 C14 1.308(4) . ?
N12 C82 1.371(4) . ?
N13 C32 1.309(4) . ?
N13 C75 1.379(4) . ?
N14 C64 1.351(4) . ?
N14 C24 1.359(4) . ?
N15 C2 1.318(4) . ?
N15 C144 1.372(4) . ?
N16 C11 1.325(4) . ?
N16 C147 1.380(4) . ?
N17 C25 1.308(4) . ?
N17 C74 1.370(4) . ?
N19 C3 1.323(4) . ?
N19 C42 1.385(4) . ?
N20 C6 1.319(3) . ?
N20 C137 1.377(4) . ?
N21 C2 1.334(4) . ?
N21 C52 1.368(4) . ?
N21 C155 1.470(4) . ?
N22 C8 1.318(4) . ?
N22 C65 1.382(4) . ?
N23 C37 1.349(4) . ?
N23 C26 1.353(4) . ?
N24 C57 1.304(4) . ?
N24 C164 1.371(4) . ?
N25 C50 1.322(4) . ?
N25 C162 1.379(4) . ?
N26 C53 1.327(4) . ?
N26 C120 1.378(4) . ?
N27 C13 1.332(4) . ?
N27 C158 1.367(4) . ?
N27 C124 1.466(4) . ?
N28 C25 1.332(4) . ?
N28 C115 1.358(4) . ?
N28 C110 1.467(4) . ?
N29 C30 1.334(4) . ?
N29 C79 1.363(4) . ?
N29 C108 1.470(4) . ?
N30 C49 1.330(4) . ?
N30 C104 1.373(4) . ?
N31 C29 1.315(4) . ?
N31 C92 1.378(4) . ?
N32 C12 1.356(3) . ?
N32 C16 1.358(4) . ?
N33 C3 1.332(4) . ?
N33 C43 1.370(4) . ?
N33 C179 1.473(4) . ?
N34 C32 1.335(4) . ?
N34 C98 1.354(4) . ?
N34 C107 1.472(4) . ?
N35 C57 1.336(4) . ?
N35 C177 1.356(4) . ?
N35 C123 1.467(4) . ?
N36 C14 1.334(4) . ?
N36 C100 1.356(4) . ?
N36 C116 1.474(4) . ?
N37 C49 1.341(4) . ?
N37 C111 1.371(5) . ?
N37 C122 1.476(4) . ?
N38 C44 1.373(4) . ?
N38 C12 1.388(4) . ?
N38 C81 1.482(4) . ?
N39 C27 1.333(4) . ?
N39 C67 1.371(4) . ?
N39 C125 1.473(4) . ?
N40 C28 1.335(4) . ?
N40 C109 1.355(4) . ?
N40 C176 1.468(4) . ?
N41 C121 1.365(4) . ?
N41 C24 1.389(4) . ?
N41 C72 1.473(4) . ?
N42 C44 1.372(4) . ?
N42 C16 1.390(4) . ?
N42 C84 1.478(4) . ?
N43 C50 1.335(4) . ?
N43 C170 1.358(5) . ?
N43 C88 1.472(4) . ?
N44 C1 1.325(3) . ?
N44 C134 1.381(3) . ?
N45 C87 1.372(4) . ?
N45 C37 1.384(4) . ?
N45 C118 1.508(4) . ?
N46 C121 1.370(4) . ?
N46 C64 1.383(4) . ?
N46 C131 1.594(5) . ?
N47 C87 1.375(4) . ?
N47 C26 1.391(4) . ?
N47 C166 1.473(4) . ?
N48 C53 1.335(4) . ?
N48 C113 1.376(5) . ?
N48 C127 1.473(4) . ?
N49 C28 1.314(4) . ?
N49 C163 1.383(4) . ?
N50 C13 1.321(4) . ?
N50 C46 1.378(4) . ?
N51 C11 1.332(4) . ?
N51 C73 1.366(4) . ?
N51 C159 1.469(4) . ?
N52 C6 1.339(4) . ?
N52 C36 1.367(4) . ?
N52 C157 1.468(4) . ?
N53 C8 1.334(4) . ?
N53 C70 1.369(4) . ?
N53 C77 1.472(4) . ?
N54 C27 1.325(4) . ?
N54 C154 1.374(4) . ?
N55 C29 1.333(4) . ?
N55 C106 1.366(5) . ?
N55 C101 1.472(4) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C141 1.383(4) . ?
C4 C20 1.383(4) . ?
C4 C77 1.516(4) . ?
C5 C68 1.528(4) . ?
C6 H6 0.9300 . ?
C7 C142 1.377(4) . ?
C7 C130 1.391(4) . ?
C7 C38 1.503(4) . ?
C8 H8 0.9300 . ?
C11 H11 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C17 C152 1.372(5) . ?
C17 C160 1.383(4) . ?
C17 C176 1.512(4) 4 ?
C18 C95 1.373(5) . ?
C18 C156 1.381(5) . ?
C18 C124 1.513(4) . ?
C19 C171 1.568(4) . ?
C20 C130 1.376(4) . ?
C20 H20 0.9300 . ?
C21 C63 1.368(5) . ?
C21 C169 1.385(4) . ?
C21 C123 1.510(4) . ?
C22 C56 1.376(5) . ?
C22 C167 1.382(4) . ?
C22 C110 1.513(4) . ?
C23 C83 1.377(5) . ?
C23 C61 1.388(5) . ?
C23 C101 1.511(4) . ?
C25 H25 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C80 1.375(5) . ?
C31 C62 1.376(5) . ?
C31 C127 1.513(4) . ?
C32 H32 0.9300 . ?
C34 C41 1.379(4) . ?
C34 C135 1.383(4) . ?
C34 H34 0.9300 . ?
C35 C78 1.376(5) . ?
C35 C90 1.379(4) . ?
C35 C108 1.514(4) . ?
C36 C137 1.353(4) . ?
C36 H36 0.9300 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C133 1.381(4) . ?
C39 C145 1.395(4) . ?
C39 H39 0.9300 . ?
C40 C174 1.380(5) . ?
C40 C58 1.386(5) . ?
C40 C125 1.503(4) . ?
C41 C133 1.383(4) . ?
C41 H41 0.9300 . ?
C42 C43 1.343(4) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C45 C85 1.505(5) . ?
C45 C59 1.513(4) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 C158 1.346(4) . ?
C46 H46 0.9300 . ?
C47 C136 1.368(5) . ?
C47 C90 1.381(5) . ?
C47 H47 0.9300 . ?
C48 C80 1.375(4) . ?
C48 C140 1.391(5) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 C86 1.366(5) . ?
C51 C91 1.391(5) . ?
C51 C88 1.512(4) . ?
C52 C144 1.345(4) . ?
C52 H52 0.9300 . ?
C53 H53 0.9300 . ?
C54 C168 1.608(5) . ?
C55 C79 1.348(5) . ?
C55 H55 0.9300 . ?
C56 C161 1.374(5) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C58 C69 1.379(4) . ?
C58 H58 0.9300 . ?
C61 C143 1.380(4) . ?
C61 H61 0.9300 . ?
C62 C71 1.385(5) . ?
C62 H62 0.9300 . ?
C63 C160 1.377(5) . ?
C63 H63 0.9300 . ?
C65 C70 1.352(5) . ?
C65 H65 0.9300 . ?
C66 C78 1.381(5) . ?
C66 C136 1.382(4) . ?
C66 H66 0.9300 . ?
C67 C154 1.339(4) . ?
C67 H67 0.9300 . ?
C68 C81 1.487(4) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 C148 1.381(5) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 C140 1.378(5) . ?
C71 H71 0.9300 . ?
C72 C114 1.508(5) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 C147 1.354(4) . ?
C73 H73 0.9300 . ?
C74 C115 1.345(5) . ?
C74 H74 0.9300 . ?
C75 C98 1.342(5) . ?
C75 H75 0.9300 . ?
C76 C132 1.380(5) . ?
C76 C83 1.386(5) . ?
C76 H76 0.9300 . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C80 H80 0.9300 . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C82 C100 1.341(5) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 C105 1.497(5) . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C86 C95 1.391(5) . ?
C86 H86 0.9300 . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C89 C128 1.533(5) . ?
C90 H90 0.9300 . ?
C91 C156 1.384(4) . ?
C91 H91 0.9300 . ?
C92 C106 1.345(5) . ?
C92 H92 0.9300 . ?
C93 C129 1.466(5) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C94 C173 1.520(5) . ?
C95 H95 0.9300 . ?
C97 C129 1.520(5) . ?
C98 H98 0.9300 . ?
C99 C103 1.511(5) . ?
C100 H100 0.9300 . ?
C101 H10A 0.9700 . ?
C101 H10B 0.9700 . ?
C102 C114 1.528(5) . ?
C103 C166 1.501(5) . ?
C103 H10C 0.9700 . ?
C103 H10D 0.9700 . ?
C104 C111 1.349(5) . ?
C104 H104 0.9300 . ?
C105 C153 1.526(4) . ?
C105 H10E 0.9700 . ?
C105 H10F 0.9700 . ?
C106 H106 0.9300 . ?
C107 C136 1.512(4) . ?
C107 H10G 0.9700 . ?
C107 H10H 0.9700 . ?
C108 H10I 0.9700 . ?
C108 H10J 0.9700 . ?
C109 C163 1.341(5) . ?
C109 H109 0.9300 . ?
C110 H11A 0.9700 . ?
C110 H11B 0.9700 . ?
C111 H111 0.9300 . ?
C112 C171 1.452(5) . ?
C112 H11C 0.9700 . ?
C112 H11D 0.9700 . ?
C113 C120 1.352(5) . ?
C113 H113 0.9300 . ?
C114 H11E 0.9700 . ?
C114 H11F 0.9700 . ?
C115 H115 0.9300 . ?
C116 C139 1.515(4) . ?
C116 H11G 0.9700 . ?
C116 H11H 0.9700 . ?
C117 C128 1.489(5) . ?
C117 H11I 0.9700 . ?
C117 H11J 0.9700 . ?
C118 C182 1.433(6) . ?
C118 H11K 0.9700 . ?
C118 H11L 0.9700 . ?
C119 C182 1.540(5) . ?
C120 H120 0.9300 . ?
C122 C148 1.507(4) . ?
C122 H12A 0.9700 . ?
C122 H12B 0.9700 . ?
C123 H12C 0.9700 . ?
C123 H12D 0.9700 . ?
C124 H12E 0.9700 . ?
C124 H12F 0.9700 . ?
C125 H12G 0.9700 . ?
C125 H12H 0.9700 . ?
C126 C180 1.627(6) . ?
C127 H12I 0.9700 . ?
C127 H12J 0.9700 . ?
C128 H12K 0.9700 . ?
C128 H12L 0.9700 . ?
C129 H12M 0.9700 . ?
C129 H12N 0.9700 . ?
C130 H130 0.9300 . ?
C131 C168 1.397(5) . ?
C131 H13A 0.9700 . ?
C131 H13B 0.9700 . ?
C132 C143 1.381(4) . ?
C132 C155 1.506(4) . ?
C133 C159 1.510(4) . ?
C134 C138 1.347(4) . ?
C134 H134 0.9300 . ?
C135 C145 1.374(5) . ?
C135 C157 1.512(4) . ?
C137 H137 0.9300 . ?
C138 H138 0.9300 . ?
C139 C150 1.367(5) . ?
C139 C161 1.383(4) . ?
C140 C179 1.507(4) . ?
C141 C142 1.388(4) . ?
C141 H141 0.9300 . ?
C142 H142 0.9300 . ?
C143 H143 0.9300 . ?
C144 H144 0.9300 . ?
C145 H145 0.9300 . ?
C147 H147 0.9300 . ?
C148 C172 1.370(5) . ?
C150 C167 1.364(5) . ?
C150 H150 0.9300 . ?
C152 C169 1.378(5) . ?
C152 H152 0.9300 . ?
C154 H154 0.9300 . ?
C155 H15A 0.9700 . ?
C155 H15B 0.9700 . ?
C156 H156 0.9300 . ?
C157 H15C 0.9700 . ?
C157 H15D 0.9700 . ?
C158 H158 0.9300 . ?
C159 H15E 0.9700 . ?
C159 H15F 0.9700 . ?
C160 H160 0.9300 . ?
C161 H161 0.9300 . ?
C162 C170 1.356(5) . ?
C162 H162 0.9300 . ?
C163 H163 0.9300 . ?
C164 C177 1.344(5) . ?
C164 H164 0.9300 . ?
C166 H16A 0.9700 . ?
C166 H16B 0.9700 . ?
C167 H167 0.9300 . ?
C168 H16C 0.9700 . ?
C168 H16D 0.9700 . ?
C169 H169 0.9300 . ?
C170 H170 0.9300 . ?
C171 H17A 0.9700 . ?
C171 H17B 0.9700 . ?
C172 C174 1.387(5) . ?
C172 H172 0.9300 . ?
C173 C178 1.489(5) . ?
C173 H17C 0.9700 . ?
C173 H17D 0.9700 . ?
C174 H174 0.9300 . ?
C176 H17E 0.9700 . ?
C176 H17F 0.9698 . ?
C177 H177 0.9300 . ?
C178 H17G 0.9700 . ?
C178 H17H 0.9700 . ?
C179 H17I 0.9700 . ?
C179 H17J 0.9700 . ?
C180 C181 1.378(6) . ?
C180 H18A 0.9700 . ?
C180 H18B 0.9700 . ?
C181 H18C 0.9700 . ?
C181 H18D 0.9700 . ?
C182 H18E 0.9700 . ?
C182 H18F 0.9700 . ?

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
O39 Zn1 N19 110.03(10) 1_556 . ?
O39 Zn1 N30 108.99(10) 1_556 . ?
N19 Zn1 N30 117.16(10) . . ?
O39 Zn1 O13 95.53(10) 1_556 . ?
N19 Zn1 O13 110.34(10) . . ?
N30 Zn1 O13 112.62(11) . . ?
O38 Zn2 N54 111.21(11) . . ?
O38 Zn2 N26 108.59(11) . . ?
N54 Zn2 N26 116.87(10) . . ?
O38 Zn2 O29 95.27(12) . . ?
N54 Zn2 O29 110.24(11) . . ?
N26 Zn2 O29 112.55(12) . . ?
O8 Zn3 O40 94.06(9) . . ?
O8 Zn3 N44 114.86(10) . . ?
O40 Zn3 N44 108.83(9) . . ?
O8 Zn3 N16 107.21(10) . . ?
O40 Zn3 N16 113.58(9) . . ?
N44 Zn3 N16 116.27(10) . . ?
O15 Zn4 O5 93.39(10) . . ?
O15 Zn4 N20 113.71(11) . . ?
O5 Zn4 N20 109.11(10) . . ?
O15 Zn4 N22 108.00(11) . . ?
O5 Zn4 N22 114.31(10) . . ?
N20 Zn4 N22 116.17(10) . . ?
N32 Zn5 N6 118.40(11) . 3_856 ?
N32 Zn5 N11 122.39(9) . . ?
N6 Zn5 N11 98.45(9) 3_856 . ?
N32 Zn5 N12 97.51(10) . . ?
N6 Zn5 N12 121.34(9) 3_856 . ?
N11 Zn5 N12 98.73(10) . . ?
N23 Zn6 N3 118.53(11) 3_557 . ?
N23 Zn6 N13 98.43(10) 3_557 1_355 ?
N3 Zn6 N13 122.41(10) . 1_355 ?
N23 Zn6 N17 121.39(9) 3_557 1_456 ?
N3 Zn6 N17 97.26(10) . 1_456 ?
N13 Zn6 N17 98.82(10) 1_355 1_456 ?
O30 Zn7 O42 92.85(12) 1_554 . ?
O30 Zn7 N15 114.46(11) 1_554 . ?
O42 Zn7 N15 109.47(11) . . ?
O30 Zn7 N25 107.21(11) 1_554 . ?
O42 Zn7 N25 114.28(11) . . ?
N15 Zn7 N25 116.30(10) . . ?
O6 Zn8 N50 110.80(11) . 2_646 ?
O6 Zn8 N31 108.92(12) . 2_646 ?
N50 Zn8 N31 117.28(10) 2_646 2_646 ?
O6 Zn8 O20 95.18(14) . 1_556 ?
N50 Zn8 O20 109.57(11) 2_646 1_556 ?
N31 Zn8 O20 112.89(12) 2_646 1_556 ?
N14 Zn9 N7 118.42(11) 3_556 . ?
N14 Zn9 N49 122.04(10) 3_556 . ?
N7 Zn9 N49 97.92(10) . . ?
N14 Zn9 N24 97.81(10) 3_556 . ?
N7 Zn9 N24 121.82(10) . . ?
N49 Zn9 N24 98.88(11) . . ?
C19 O5 Zn4 112.1(2) . . ?
C89 O6 Zn8 119.1(3) . . ?
C59 O8 Zn3 121.2(2) . . ?
C97 O13 Zn1 110.4(2) . . ?
C94 O15 Zn4 122.0(2) . . ?
C126 O20 Zn8 110.2(3) . 1_554 ?
C119 O29 Zn2 108.9(3) . . ?
C99 O30 Zn7 120.5(2) . 1_556 ?
C102 O38 Zn2 117.0(2) . . ?
C153 O39 Zn1 117.5(2) . 1_554 ?
C5 O40 Zn3 113.18(19) . . ?
C54 O42 Zn7 111.4(2) . . ?
C96 N1 C149 122.9(3) . . ?
C96 N1 C117 117.0(3) . . ?
C149 N1 C117 119.7(3) . . ?
C96 N2 C15 122.7(3) . . ?
C96 N2 C112 118.7(3) . . ?
C15 N2 C112 118.5(3) . . ?
C15 N3 C149 121.5(3) . . ?
C15 N3 Zn6 120.7(2) . . ?
C149 N3 Zn6 116.26(19) . . ?
C146 N4 C9 122.7(2) . . ?
C146 N4 C93 118.9(2) . . ?
C9 N4 C93 118.3(2) . . ?
C146 N5 C10 123.1(2) . . ?
C146 N5 C85 116.8(2) . . ?
C10 N5 C85 120.0(2) . . ?
C9 N6 C10 121.5(2) . . ?
C9 N6 Zn5 122.6(2) . 3_856 ?
C10 N6 Zn5 115.77(17) . 3_856 ?
C60 N7 C33 122.0(3) . . ?
C60 N7 Zn9 122.0(2) . . ?
C33 N7 Zn9 115.73(18) . . ?
C175 N8 C60 123.0(3) . . ?
C175 N8 C181 118.5(3) . . ?
C60 N8 C181 118.5(3) . . ?
C175 N9 C33 122.9(3) . . ?
C175 N9 C178 116.9(3) . . ?
C33 N9 C178 120.1(2) . . ?
C1 N10 C138 108.0(2) . . ?
C1 N10 C38 126.0(2) . . ?
C138 N10 C38 126.1(2) . . ?
C30 N11 C55 105.8(2) . . ?
C30 N11 Zn5 132.2(2) . . ?
C55 N11 Zn5 121.3(2) . . ?
C14 N12 C82 105.7(3) . . ?
C14 N12 Zn5 132.0(2) . . ?
C82 N12 Zn5 121.4(2) . . ?
C32 N13 C75 105.5(3) . . ?
C32 N13 Zn6 132.2(2) . 1_755 ?
C75 N13 Zn6 121.4(2) . 1_755 ?
C64 N14 C24 121.1(3) . . ?
C64 N14 Zn9 121.2(2) . 3_556 ?
C24 N14 Zn9 116.45(19) . 3_556 ?
C2 N15 C144 106.0(2) . . ?
C2 N15 Zn7 125.0(2) . . ?
C144 N15 Zn7 128.5(2) . . ?
C11 N16 C147 105.4(2) . . ?
C11 N16 Zn3 129.1(2) . . ?
C147 N16 Zn3 125.5(2) . . ?
C25 N17 C74 105.5(3) . . ?
C25 N17 Zn6 132.1(2) . 1_654 ?
C74 N17 Zn6 121.5(2) . 1_654 ?
C3 N19 C42 105.6(2) . . ?
C3 N19 Zn1 126.4(2) . . ?
C42 N19 Zn1 127.6(2) . . ?
C6 N20 C137 106.3(2) . . ?
C6 N20 Zn4 124.6(2) . . ?
C137 N20 Zn4 128.27(19) . . ?
C2 N21 C52 107.6(2) . . ?
C2 N21 C155 125.9(3) . . ?
C52 N21 C155 126.5(3) . . ?
C8 N22 C65 105.6(3) . . ?
C8 N22 Zn4 129.1(2) . . ?
C65 N22 Zn4 125.1(2) . . ?
C37 N23 C26 121.9(3) . . ?
C37 N23 Zn6 122.1(2) . 3_557 ?
C26 N23 Zn6 115.82(18) . 3_557 ?
C57 N24 C164 105.4(3) . . ?
C57 N24 Zn9 132.2(2) . . ?
C164 N24 Zn9 121.3(2) . . ?
C50 N25 C162 105.7(3) . . ?
C50 N25 Zn7 129.0(2) . . ?
C162 N25 Zn7 125.2(2) . . ?
C53 N26 C120 105.9(3) . . ?
C53 N26 Zn2 127.6(2) . . ?
C120 N26 Zn2 126.2(2) . . ?
C13 N27 C158 107.1(3) . . ?
C13 N27 C124 126.3(3) . . ?
C158 N27 C124 126.5(3) . . ?
C25 N28 C115 107.6(3) . . ?
C25 N28 C110 125.9(3) . . ?
C115 N28 C110 126.5(3) . . ?
C30 N29 C79 107.6(3) . . ?
C30 N29 C108 126.3(3) . . ?
C79 N29 C108 126.1(3) . . ?
C49 N30 C104 106.1(3) . . ?
C49 N30 Zn1 127.4(2) . . ?
C104 N30 Zn1 126.3(2) . . ?
C29 N31 C92 105.6(3) . . ?
C29 N31 Zn8 128.1(2) . 2_656 ?
C92 N31 Zn8 126.2(2) . 2_656 ?
C12 N32 C16 121.3(2) . . ?
C12 N32 Zn5 120.8(2) . . ?
C16 N32 Zn5 116.49(18) . . ?
C3 N33 C43 107.5(2) . . ?
C3 N33 C179 126.0(3) . . ?
C43 N33 C179 126.5(3) . . ?
C32 N34 C98 107.0(3) . . ?
C32 N34 C107 126.2(3) . . ?
C98 N34 C107 126.7(3) . . ?
C57 N35 C177 106.9(3) . . ?
C57 N35 C123 126.8(3) . . ?
C177 N35 C123 126.2(3) . . ?
C14 N36 C100 107.4(3) . . ?
C14 N36 C116 126.1(3) . . ?
C100 N36 C116 126.5(3) . . ?
C49 N37 C111 107.8(3) . . ?
C49 N37 C122 125.2(3) . . ?
C111 N37 C122 126.9(3) . . ?
C44 N38 C12 122.7(2) . . ?
C44 N38 C81 118.5(2) . . ?
C12 N38 C81 118.7(2) . . ?
C27 N39 C67 107.3(3) . . ?
C27 N39 C125 125.9(3) . . ?
C67 N39 C125 126.8(3) . . ?
C28 N40 C109 107.5(3) . . ?
C28 N40 C176 125.9(3) . . ?
C109 N40 C176 126.5(3) . . ?
C121 N41 C24 123.1(3) . . ?
C121 N41 C72 116.8(3) . . ?
C24 N41 C72 119.9(3) . . ?
C44 N42 C16 123.0(3) . . ?
C44 N42 C84 117.1(2) . . ?
C16 N42 C84 119.7(2) . . ?
C50 N43 C170 107.2(3) . . ?
C50 N43 C88 125.9(3) . . ?
C170 N43 C88 126.8(3) . . ?
C1 N44 C134 105.8(2) . . ?
C1 N44 Zn3 124.59(19) . . ?
C134 N44 Zn3 128.91(19) . . ?
C87 N45 C37 123.0(3) . . ?
C87 N45 C118 118.5(3) . . ?
C37 N45 C118 118.4(3) . . ?
C121 N46 C64 123.8(3) . . ?
C121 N46 C131 118.2(3) . . ?
C64 N46 C131 117.3(3) . . ?
C87 N47 C26 123.0(3) . . ?
C87 N47 C166 117.0(3) . . ?
C26 N47 C166 119.9(2) . . ?
C53 N48 C113 107.6(3) . . ?
C53 N48 C127 126.3(3) . . ?
C113 N48 C127 126.0(3) . . ?
C28 N49 C163 105.6(3) . . ?
C28 N49 Zn9 132.0(2) . . ?
C163 N49 Zn9 121.8(2) . . ?
C13 N50 C46 105.6(3) . . ?
C13 N50 Zn8 126.0(2) . 2_656 ?
C46 N50 Zn8 127.8(2) . 2_656 ?
C11 N51 C73 107.2(3) . . ?
C11 N51 C159 126.1(3) . . ?
C73 N51 C159 126.7(3) . . ?
C6 N52 C36 108.0(2) . . ?
C6 N52 C157 125.8(3) . . ?
C36 N52 C157 126.2(3) . . ?
C8 N53 C70 107.2(3) . . ?
C8 N53 C77 126.2(3) . . ?
C70 N53 C77 126.6(3) . . ?
C27 N54 C154 105.5(3) . . ?
C27 N54 Zn2 126.0(2) . . ?
C154 N54 Zn2 128.1(2) . . ?
C29 N55 C106 107.2(3) . . ?
C29 N55 C101 125.7(3) . . ?
C106 N55 C101 127.0(3) . . ?
N44 C1 N10 110.6(2) . . ?
N44 C1 H1 124.7 . . ?
N10 C1 H1 124.7 . . ?
N15 C2 N21 110.8(3) . . ?
N15 C2 H2 124.6 . . ?
N21 C2 H2 124.6 . . ?
N19 C3 N33 111.2(3) . . ?
N19 C3 H3 124.4 . . ?
N33 C3 H3 124.4 . . ?
C141 C4 C20 118.7(3) . . ?
C141 C4 C77 120.7(3) . . ?
C20 C4 C77 120.6(3) . . ?
O41 C5 O40 123.6(3) . . ?
O41 C5 C68 120.6(3) . . ?
O40 C5 C68 115.7(3) . . ?
N20 C6 N52 110.5(3) . . ?
N20 C6 H6 124.8 . . ?
N52 C6 H6 124.8 . . ?
C142 C7 C130 118.4(3) . . ?
C142 C7 C38 121.9(3) . . ?
C130 C7 C38 119.7(3) . . ?
N22 C8 N53 111.6(3) . . ?
N22 C8 H8 124.2 . . ?
N53 C8 H8 124.2 . . ?
O12 C9 N6 121.7(3) . . ?
O12 C9 N4 119.4(3) . . ?
N6 C9 N4 118.9(3) . . ?
O10 C10 N6 121.2(3) . . ?
O10 C10 N5 120.8(3) . . ?
N6 C10 N5 118.0(2) . . ?
N16 C11 N51 111.6(3) . . ?
N16 C11 H11 124.2 . . ?
N51 C11 H11 124.2 . . ?
O32 C12 N32 121.8(3) . . ?
O32 C12 N38 119.5(3) . . ?
N32 C12 N38 118.7(3) . . ?
N50 C13 N27 111.4(3) . . ?
N50 C13 H13 124.3 . . ?
N27 C13 H13 124.3 . . ?
N12 C14 N36 111.1(3) . . ?
N12 C14 H14 124.4 . . ?
N36 C14 H14 124.4 . . ?
O2 C15 N3 122.1(3) . . ?
O2 C15 N2 119.4(3) . . ?
N3 C15 N2 118.5(3) . . ?
O31 C16 N32 121.6(3) . . ?
O31 C16 N42 120.3(3) . . ?
N32 C16 N42 118.1(2) . . ?
C152 C17 C160 118.8(3) . . ?
C152 C17 C176 120.7(3) . 4 ?
C160 C17 C176 120.5(3) . 4 ?
C95 C18 C156 119.1(3) . . ?
C95 C18 C124 121.7(3) . . ?
C156 C18 C124 119.1(3) . . ?
O5 C19 O4 126.1(3) . . ?
O5 C19 C171 115.4(3) . . ?
O4 C19 C171 118.5(3) . . ?
C130 C20 C4 121.0(3) . . ?
C130 C20 H20 119.5 . . ?
C4 C20 H20 119.5 . . ?
C63 C21 C169 119.3(3) . . ?
C63 C21 C123 120.2(3) . . ?
C169 C21 C123 120.5(3) . . ?
C56 C22 C167 118.8(3) . . ?
C56 C22 C110 120.3(3) . . ?
C167 C22 C110 120.8(3) . . ?
C83 C23 C61 118.9(3) . . ?
C83 C23 C101 120.8(3) . . ?
C61 C23 C101 120.2(3) . . ?
O34 C24 N14 121.4(3) . . ?
O34 C24 N41 120.3(3) . . ?
N14 C24 N41 118.4(3) . . ?
N17 C25 N28 111.3(3) . . ?
N17 C25 H25 124.4 . . ?
N28 C25 H25 124.4 . . ?
O27 C26 N23 121.5(3) . . ?
O27 C26 N47 120.6(3) . . ?
N23 C26 N47 117.9(2) . . ?
N54 C27 N39 111.0(3) . . ?
N54 C27 H27 124.5 . . ?
N39 C27 H27 124.5 . . ?
N49 C28 N40 111.1(3) . . ?
N49 C28 H28 124.5 . . ?
N40 C28 H28 124.5 . . ?
N31 C29 N55 111.4(3) . . ?
N31 C29 H29 124.3 . . ?
N55 C29 H29 124.3 . . ?
N11 C30 N29 111.3(3) . . ?
N11 C30 H30 124.4 . . ?
N29 C30 H30 124.4 . . ?
C80 C31 C62 119.3(3) . . ?
C80 C31 C127 119.8(3) . . ?
C62 C31 C127 120.9(3) . . ?
N13 C32 N34 111.5(3) . . ?
N13 C32 H32 124.2 . . ?
N34 C32 H32 124.2 . . ?
O17 C33 N7 121.7(3) . . ?
O17 C33 N9 120.5(3) . . ?
N7 C33 N9 117.8(2) . . ?
C41 C34 C135 120.3(3) . . ?
C41 C34 H34 119.9 . . ?
C135 C34 H34 119.9 . . ?
C78 C35 C90 118.8(3) . . ?
C78 C35 C108 120.8(3) . . ?
C90 C35 C108 120.4(3) . . ?
C137 C36 N52 106.2(3) . . ?
C137 C36 H36 126.9 . . ?
N52 C36 H36 126.9 . . ?
O22 C37 N23 122.2(3) . . ?
O22 C37 N45 119.4(3) . . ?
N23 C37 N45 118.4(3) . . ?
N10 C38 C7 110.7(2) . . ?
N10 C38 H38A 109.5 . . ?
C7 C38 H38A 109.5 . . ?
N10 C38 H38B 109.5 . . ?
C7 C38 H38B 109.5 . . ?
H38A C38 H38B 108.1 . . ?
C133 C39 C145 120.1(3) . . ?
C133 C39 H39 120.0 . . ?
C145 C39 H39 120.0 . . ?
C174 C40 C58 118.4(3) . . ?
C174 C40 C125 122.0(3) . . ?
C58 C40 C125 119.6(4) . . ?
C34 C41 C133 120.8(3) . . ?
C34 C41 H41 119.6 . . ?
C133 C41 H41 119.6 . . ?
C43 C42 N19 109.0(3) . . ?
C43 C42 H42 125.5 . . ?
N19 C42 H42 125.5 . . ?
C42 C43 N33 106.7(3) . . ?
C42 C43 H43 126.6 . . ?
N33 C43 H43 126.6 . . ?
O35 C44 N42 121.9(3) . . ?
O35 C44 N38 122.2(3) . . ?
N42 C44 N38 115.8(3) . . ?
C85 C45 C59 110.4(3) . . ?
C85 C45 H45A 109.6 . . ?
C59 C45 H45A 109.6 . . ?
C85 C45 H45B 109.6 . . ?
C59 C45 H45B 109.6 . . ?
H45A C45 H45B 108.1 . . ?
C158 C46 N50 108.9(3) . . ?
C158 C46 H46 125.5 . . ?
N50 C46 H46 125.5 . . ?
C136 C47 C90 120.8(3) . . ?
C136 C47 H47 119.6 . . ?
C90 C47 H47 119.6 . . ?
C80 C48 C140 120.3(3) . . ?
C80 C48 H48 119.9 . . ?
C140 C48 H48 119.9 . . ?
N30 C49 N37 110.3(3) . . ?
N30 C49 H49 124.9 . . ?
N37 C49 H49 124.9 . . ?
N25 C50 N43 111.4(3) . . ?
N25 C50 H50 124.3 . . ?
N43 C50 H50 124.3 . . ?
C86 C51 C91 119.3(3) . . ?
C86 C51 C88 121.9(3) . . ?
C91 C51 C88 118.8(3) . . ?
C144 C52 N21 106.3(3) . . ?
C144 C52 H52 126.9 . . ?
N21 C52 H52 126.9 . . ?
N26 C53 N48 110.9(3) . . ?
N26 C53 H53 124.5 . . ?
N48 C53 H53 124.5 . . ?
O42 C54 O28 126.0(3) . . ?
O42 C54 C168 113.7(3) . . ?
O28 C54 C168 120.3(4) . . ?
C79 C55 N11 109.0(3) . . ?
C79 C55 H55 125.5 . . ?
N11 C55 H55 125.5 . . ?
C161 C56 C22 120.5(3) . . ?
C161 C56 H56 119.8 . . ?
C22 C56 H56 119.8 . . ?
N24 C57 N35 111.7(3) . . ?
N24 C57 H57 124.1 . . ?
N35 C57 H57 124.1 . . ?
C69 C58 C40 120.8(3) . . ?
C69 C58 H58 119.6 . . ?
C40 C58 H58 119.6 . . ?
O9 C59 O8 122.0(3) . . ?
O9 C59 C45 121.9(3) . . ?
O8 C59 C45 116.1(3) . . ?
O19 C60 N7 121.9(3) . . ?
O19 C60 N8 120.0(3) . . ?
N7 C60 N8 118.1(3) . . ?
C143 C61 C23 120.6(3) . . ?
C143 C61 H61 119.7 . . ?
C23 C61 H61 119.7 . . ?
C31 C62 C71 120.4(3) . . ?
C31 C62 H62 119.8 . . ?
C71 C62 H62 119.8 . . ?
C21 C63 C160 120.4(3) . . ?
C21 C63 H63 119.8 . . ?
C160 C63 H63 119.8 . . ?
O36 C64 N14 121.7(3) . . ?
O36 C64 N46 120.1(3) . . ?
N14 C64 N46 118.2(3) . . ?
C70 C65 N22 108.9(3) . . ?
C70 C65 H65 125.5 . . ?
N22 C65 H65 125.5 . . ?
C78 C66 C136 120.1(3) . . ?
C78 C66 H66 119.9 . . ?
C136 C66 H66 119.9 . . ?
C154 C67 N39 106.6(3) . . ?
C154 C67 H67 126.7 . . ?
N39 C67 H67 126.7 . . ?
C81 C68 C5 113.4(3) . . ?
C81 C68 H68A 108.9 . . ?
C5 C68 H68A 108.9 . . ?
C81 C68 H68B 108.9 . . ?
C5 C68 H68B 108.9 . . ?
H68A C68 H68B 107.7 . . ?
C58 C69 C148 120.5(3) . . ?
C58 C69 H69 119.8 . . ?
C148 C69 H69 119.8 . . ?
C65 C70 N53 106.7(3) . . ?
C65 C70 H70 126.7 . . ?
N53 C70 H70 126.7 . . ?
C140 C71 C62 120.5(3) . . ?
C140 C71 H71 119.8 . . ?
C62 C71 H71 119.8 . . ?
N41 C72 C114 110.9(3) . . ?
N41 C72 H72A 109.5 . . ?
C114 C72 H72A 109.5 . . ?
N41 C72 H72B 109.5 . . ?
C114 C72 H72B 109.5 . . ?
H72A C72 H72B 108.0 . . ?
C147 C73 N51 106.8(3) . . ?
C147 C73 H73 126.6 . . ?
N51 C73 H73 126.6 . . ?
C115 C74 N17 109.6(3) . . ?
C115 C74 H74 125.2 . . ?
N17 C74 H74 125.2 . . ?
C98 C75 N13 108.8(3) . . ?
C98 C75 H75 125.6 . . ?
N13 C75 H75 125.6 . . ?
C132 C76 C83 120.8(3) . . ?
C132 C76 H76 119.6 . . ?
C83 C76 H76 119.6 . . ?
N53 C77 C4 111.3(2) . . ?
N53 C77 H77A 109.4 . . ?
C4 C77 H77A 109.4 . . ?
N53 C77 H77B 109.4 . . ?
C4 C77 H77B 109.4 . . ?
H77A C77 H77B 108.0 . . ?
C35 C78 C66 120.8(3) . . ?
C35 C78 H78 119.6 . . ?
C66 C78 H78 119.6 . . ?
C55 C79 N29 106.3(3) . . ?
C55 C79 H79 126.8 . . ?
N29 C79 H79 126.8 . . ?
C31 C80 C48 120.8(3) . . ?
C31 C80 H80 119.6 . . ?
C48 C80 H80 119.6 . . ?
N38 C81 C68 111.6(3) . . ?
N38 C81 H81A 109.3 . . ?
C68 C81 H81A 109.3 . . ?
N38 C81 H81B 109.3 . . ?
C68 C81 H81B 109.3 . . ?
H81A C81 H81B 108.0 . . ?
C100 C82 N12 109.3(3) . . ?
C100 C82 H82 125.4 . . ?
N12 C82 H82 125.4 . . ?
C23 C83 C76 120.3(3) . . ?
C23 C83 H83 119.8 . . ?
C76 C83 H83 119.8 . . ?
N42 C84 C105 110.9(3) . . ?
N42 C84 H84A 109.5 . . ?
C105 C84 H84A 109.5 . . ?
N42 C84 H84B 109.5 . . ?
C105 C84 H84B 109.5 . . ?
H84A C84 H84B 108.1 . . ?
N5 C85 C45 111.1(3) . . ?
N5 C85 H85A 109.4 . . ?
C45 C85 H85A 109.4 . . ?
N5 C85 H85B 109.4 . . ?
C45 C85 H85B 109.4 . . ?
H85A C85 H85B 108.0 . . ?
C51 C86 C95 120.6(3) . . ?
C51 C86 H86 119.7 . . ?
C95 C86 H86 119.7 . . ?
O23 C87 N45 122.8(3) . . ?
O23 C87 N47 121.7(3) . . ?
N45 C87 N47 115.5(3) . . ?
N43 C88 C51 111.7(3) . . ?
N43 C88 H88A 109.3 . . ?
C51 C88 H88A 109.3 . . ?
N43 C88 H88B 109.3 . . ?
C51 C88 H88B 109.3 . . ?
H88A C88 H88B 107.9 . . ?
O6 C89 O7 123.0(4) . . ?
O6 C89 C128 119.3(4) . . ?
O7 C89 C128 117.7(4) . . ?
C35 C90 C47 120.4(3) . . ?
C35 C90 H90 119.8 . . ?
C47 C90 H90 119.8 . . ?
C156 C91 C51 120.0(3) . . ?
C156 C91 H91 120.0 . . ?
C51 C91 H91 120.0 . . ?
C106 C92 N31 109.1(3) . . ?
C106 C92 H92 125.4 . . ?
N31 C92 H92 125.4 . . ?
C129 C93 N4 110.7(3) . . ?
C129 C93 H93A 109.5 . . ?
N4 C93 H93A 109.5 . . ?
C129 C93 H93B 109.5 . . ?
N4 C93 H93B 109.5 . . ?
H93A C93 H93B 108.1 . . ?
O16 C94 O15 121.6(4) . . ?
O16 C94 C173 121.5(4) . . ?
O15 C94 C173 116.9(3) . . ?
C18 C95 C86 120.5(3) . . ?
C18 C95 H95 119.8 . . ?
C86 C95 H95 119.8 . . ?
O3 C96 N1 122.6(3) . . ?
O3 C96 N2 121.7(3) . . ?
N1 C96 N2 115.7(3) . . ?
O14 C97 O13 122.1(3) . . ?
O14 C97 C129 119.5(4) . . ?
O13 C97 C129 118.4(4) . . ?
C75 C98 N34 107.2(3) . . ?
C75 C98 H98 126.4 . . ?
N34 C98 H98 126.4 . . ?
O37 C99 O30 121.8(4) . . ?
O37 C99 C103 121.7(4) . . ?
O30 C99 C103 116.4(3) . . ?
C82 C100 N36 106.5(3) . . ?
C82 C100 H100 126.8 . . ?
N36 C100 H100 126.8 . . ?
N55 C101 C23 111.6(3) . . ?
N55 C101 H10A 109.3 . . ?
C23 C101 H10A 109.3 . . ?
N55 C101 H10B 109.3 . . ?
C23 C101 H10B 109.3 . . ?
H10A C101 H10B 108.0 . . ?
O33 C102 O38 123.6(3) . . ?
O33 C102 C114 117.7(4) . . ?
O38 C102 C114 118.6(3) . . ?
C166 C103 C99 110.8(3) . . ?
C166 C103 H10C 109.5 . . ?
C99 C103 H10C 109.5 . . ?
C166 C103 H10D 109.5 . . ?
C99 C103 H10D 109.5 . . ?
H10C C103 H10D 108.1 . . ?
C111 C104 N30 109.5(3) . . ?
C111 C104 H104 125.2 . . ?
N30 C104 H104 125.3 . . ?
C84 C105 C153 111.9(3) . . ?
C84 C105 H10E 109.2 . . ?
C153 C105 H10E 109.2 . . ?
C84 C105 H10F 109.2 . . ?
C153 C105 H10F 109.2 . . ?
H10E C105 H10F 107.9 . . ?
C92 C106 N55 106.7(3) . . ?
C92 C106 H106 126.7 . . ?
N55 C106 H106 126.7 . . ?
N34 C107 C136 110.0(3) . . ?
N34 C107 H10G 109.7 . . ?
C136 C107 H10G 109.7 . . ?
N34 C107 H10H 109.7 . . ?
C136 C107 H10H 109.7 . . ?
H10G C107 H10H 108.2 . . ?
N29 C108 C35 110.5(3) . . ?
N29 C108 H10I 109.6 . . ?
C35 C108 H10I 109.6 . . ?
N29 C108 H10J 109.6 . . ?
C35 C108 H10J 109.6 . . ?
H10I C108 H10J 108.1 . . ?
C163 C109 N40 107.0(3) . . ?
C163 C109 H109 126.5 . . ?
N40 C109 H109 126.5 . . ?
N28 C110 C22 110.6(3) . . ?
N28 C110 H11A 109.5 . . ?
C22 C110 H11A 109.5 . . ?
N28 C110 H11B 109.5 . . ?
C22 C110 H11B 109.5 . . ?
H11A C110 H11B 108.1 . . ?
C104 C111 N37 106.3(3) . . ?
C104 C111 H111 126.9 . . ?
N37 C111 H111 126.9 . . ?
C171 C112 N2 110.0(3) . . ?
C171 C112 H11C 109.7 . . ?
N2 C112 H11C 109.7 . . ?
C171 C112 H11D 109.7 . . ?
N2 C112 H11D 109.7 . . ?
H11C C112 H11D 108.2 . . ?
C120 C113 N48 106.3(3) . . ?
C120 C113 H113 126.8 . . ?
N48 C113 H113 126.8 . . ?
C72 C114 C102 111.4(3) . . ?
C72 C114 H11E 109.3 . . ?
C102 C114 H11E 109.3 . . ?
C72 C114 H11F 109.3 . . ?
C102 C114 H11F 109.3 . . ?
H11E C114 H11F 108.0 . . ?
C74 C115 N28 106.0(3) . . ?
C74 C115 H115 127.0 . . ?
N28 C115 H115 127.0 . . ?
N36 C116 C139 109.7(3) . . ?
N36 C116 H11G 109.7 . . ?
C139 C116 H11G 109.7 . . ?
N36 C116 H11H 109.7 . . ?
C139 C116 H11H 109.7 . . ?
H11G C116 H11H 108.2 . . ?
N1 C117 C128 111.1(3) . . ?
N1 C117 H11I 109.4 . . ?
C128 C117 H11I 109.4 . . ?
N1 C117 H11J 109.4 . . ?
C128 C117 H11J 109.4 . . ?
H11I C117 H11J 108.0 . . ?
C182 C118 N45 109.8(3) . . ?
C182 C118 H11K 109.7 . . ?
N45 C118 H11K 109.7 . . ?
C182 C118 H11L 109.7 . . ?
N45 C118 H11L 109.7 . . ?
H11K C118 H11L 108.2 . . ?
O25 C119 O29 122.7(4) . . ?
O25 C119 C182 120.0(4) . . ?
O29 C119 C182 117.3(4) . . ?
C113 C120 N26 109.2(4) . . ?
C113 C120 H120 125.4 . . ?
N26 C120 H120 125.4 . . ?
O26 C121 N41 122.1(3) . . ?
O26 C121 N46 122.7(3) . . ?
N41 C121 N46 115.1(3) . . ?
N37 C122 C148 111.3(3) . . ?
N37 C122 H12A 109.4 . . ?
C148 C122 H12A 109.4 . . ?
N37 C122 H12B 109.4 . . ?
C148 C122 H12B 109.4 . . ?
H12A C122 H12B 108.0 . . ?
N35 C123 C21 110.4(3) . . ?
N35 C123 H12C 109.6 . . ?
C21 C123 H12C 109.6 . . ?
N35 C123 H12D 109.6 . . ?
C21 C123 H12D 109.6 . . ?
H12C C123 H12D 108.1 . . ?
N27 C124 C18 110.7(3) . . ?
N27 C124 H12E 109.5 . . ?
C18 C124 H12E 109.5 . . ?
N27 C124 H12F 109.5 . . ?
C18 C124 H12F 109.5 . . ?
H12E C124 H12F 108.1 . . ?
N39 C125 C40 110.4(3) . . ?
N39 C125 H12G 109.6 . . ?
C40 C125 H12G 109.6 . . ?
N39 C125 H12H 109.6 . . ?
C40 C125 H12H 109.6 . . ?
H12G C125 H12H 108.1 . . ?
O21 C126 O20 121.7(5) . . ?
O21 C126 C180 116.4(6) . . ?
O20 C126 C180 121.9(6) . . ?
N48 C127 C31 111.3(3) . . ?
N48 C127 H12I 109.4 . . ?
C31 C127 H12I 109.4 . . ?
N48 C127 H12J 109.4 . . ?
C31 C127 H12J 109.4 . . ?
H12I C127 H12J 108.0 . . ?
C117 C128 C89 112.9(3) . . ?
C117 C128 H12K 109.0 . . ?
C89 C128 H12K 109.0 . . ?
C117 C128 H12L 109.0 . . ?
C89 C128 H12L 109.0 . . ?
H12K C128 H12L 107.8 . . ?
C93 C129 C97 114.5(3) . . ?
C93 C129 H12M 108.6 . . ?
C97 C129 H12M 108.6 . . ?
C93 C129 H12N 108.6 . . ?
C97 C129 H12N 108.6 . . ?
H12M C129 H12N 107.6 . . ?
C20 C130 C7 120.6(3) . . ?
C20 C130 H130 119.7 . . ?
C7 C130 H130 119.7 . . ?
C168 C131 N46 103.8(4) . . ?
C168 C131 H13A 111.0 . . ?
N46 C131 H13A 111.0 . . ?
C168 C131 H13B 111.0 . . ?
N46 C131 H13B 111.0 . . ?
H13A C131 H13B 109.0 . . ?
C76 C132 C143 118.7(3) . . ?
C76 C132 C155 121.4(3) . . ?
C143 C132 C155 119.9(3) . . ?
C39 C133 C41 119.0(3) . . ?
C39 C133 C159 120.5(3) . . ?
C41 C133 C159 120.5(3) . . ?
C138 C134 N44 109.3(3) . . ?
C138 C134 H134 125.4 . . ?
N44 C134 H134 125.4 . . ?
C145 C135 C34 119.3(3) . . ?
C145 C135 C157 120.7(3) . . ?
C34 C135 C157 119.9(3) . . ?
C47 C136 C66 119.1(3) . . ?
C47 C136 C107 120.6(3) . . ?
C66 C136 C107 120.3(3) . . ?
C36 C137 N20 109.0(3) . . ?
C36 C137 H137 125.5 . . ?
N20 C137 H137 125.5 . . ?
C134 C138 N10 106.3(2) . . ?
C134 C138 H138 126.8 . . ?
N10 C138 H138 126.8 . . ?
C150 C139 C161 119.1(3) . . ?
C150 C139 C116 121.0(3) . . ?
C161 C139 C116 119.8(3) . . ?
C71 C140 C48 118.8(3) . . ?
C71 C140 C179 121.7(3) . . ?
C48 C140 C179 119.4(3) . . ?
C4 C141 C142 120.2(3) . . ?
C4 C141 H141 119.9 . . ?
C142 C141 H141 119.9 . . ?
C7 C142 C141 121.1(3) . . ?
C7 C142 H142 119.4 . . ?
C141 C142 H142 119.4 . . ?
C61 C143 C132 120.6(3) . . ?
C61 C143 H143 119.7 . . ?
C132 C143 H143 119.7 . . ?
C52 C144 N15 109.4(3) . . ?
C52 C144 H144 125.3 . . ?
N15 C144 H144 125.3 . . ?
C135 C145 C39 120.5(3) . . ?
C135 C145 H145 119.8 . . ?
C39 C145 H145 119.8 . . ?
O11 C146 N4 122.8(3) . . ?
O11 C146 N5 121.5(3) . . ?
N4 C146 N5 115.7(3) . . ?
C73 C147 N16 109.0(3) . . ?
C73 C147 H147 125.5 . . ?
N16 C147 H147 125.5 . . ?
C172 C148 C69 119.0(3) . . ?
C172 C148 C122 121.2(4) . . ?
C69 C148 C122 119.8(3) . . ?
O1 C149 N3 121.5(3) . . ?
O1 C149 N1 120.4(3) . . ?
N3 C149 N1 118.1(3) . . ?
C167 C150 C139 120.8(3) . . ?
C167 C150 H150 119.6 . . ?
C139 C150 H150 119.6 . . ?
C17 C152 C169 120.7(3) . . ?
C17 C152 H152 119.6 . . ?
C169 C152 H152 119.6 . . ?
O24 C153 O39 123.1(3) . . ?
O24 C153 C105 119.7(3) . . ?
O39 C153 C105 117.3(3) . . ?
C67 C154 N54 109.6(3) . . ?
C67 C154 H154 125.2 . . ?
N54 C154 H154 125.2 . . ?
N21 C155 C132 110.7(2) . . ?
N21 C155 H15A 109.5 . . ?
C132 C155 H15A 109.5 . . ?
N21 C155 H15B 109.5 . . ?
C132 C155 H15B 109.5 . . ?
H15A C155 H15B 108.1 . . ?
C18 C156 C91 120.5(3) . . ?
C18 C156 H156 119.7 . . ?
C91 C156 H156 119.7 . . ?
N52 C157 C135 110.8(2) . . ?
N52 C157 H15C 109.5 . . ?
C135 C157 H15C 109.5 . . ?
N52 C157 H15D 109.5 . . ?
C135 C157 H15D 109.5 . . ?
H15C C157 H15D 108.1 . . ?
C46 C158 N27 106.9(3) . . ?
C46 C158 H158 126.5 . . ?
N27 C158 H158 126.5 . . ?
N51 C159 C133 111.7(2) . . ?
N51 C159 H15E 109.3 . . ?
C133 C159 H15E 109.3 . . ?
N51 C159 H15F 109.3 . . ?
C133 C159 H15F 109.3 . . ?
H15E C159 H15F 107.9 . . ?
C63 C160 C17 120.7(3) . . ?
C63 C160 H160 119.7 . . ?
C17 C160 H160 119.7 . . ?
C56 C161 C139 120.2(3) . . ?
C56 C161 H161 119.9 . . ?
C139 C161 H161 119.9 . . ?
C170 C162 N25 108.5(3) . . ?
C170 C162 H162 125.8 . . ?
N25 C162 H162 125.8 . . ?
C109 C163 N49 108.9(3) . . ?
C109 C163 H163 125.6 . . ?
N49 C163 H163 125.6 . . ?
C177 C164 N24 109.4(3) . . ?
C177 C164 H164 125.3 . . ?
N24 C164 H164 125.3 . . ?
N47 C166 C103 111.0(3) . . ?
N47 C166 H16A 109.4 . . ?
C103 C166 H16A 109.4 . . ?
N47 C166 H16B 109.4 . . ?
C103 C166 H16B 109.4 . . ?
H16A C166 H16B 108.0 . . ?
C150 C167 C22 120.5(3) . . ?
C150 C167 H167 119.7 . . ?
C22 C167 H167 119.7 . . ?
C131 C168 C54 108.6(4) . . ?
C131 C168 H16C 110.0 . . ?
C54 C168 H16C 110.0 . . ?
C131 C168 H16D 110.0 . . ?
C54 C168 H16D 110.0 . . ?
H16C C168 H16D 108.3 . . ?
C152 C169 C21 120.1(3) . . ?
C152 C169 H169 119.9 . . ?
C21 C169 H169 119.9 . . ?
C162 C170 N43 107.2(3) . . ?
C162 C170 H170 126.4 . . ?
N43 C170 H170 126.4 . . ?
C112 C171 C19 113.3(3) . . ?
C112 C171 H17A 108.9 . . ?
C19 C171 H17A 108.9 . . ?
C112 C171 H17B 108.9 . . ?
C19 C171 H17B 108.9 . . ?
H17A C171 H17B 107.7 . . ?
C148 C172 C174 120.7(4) . . ?
C148 C172 H172 119.6 . . ?
C174 C172 H172 119.6 . . ?
C178 C173 C94 111.4(3) . . ?
C178 C173 H17C 109.3 . . ?
C94 C173 H17C 109.3 . . ?
C178 C173 H17D 109.3 . . ?
C94 C173 H17D 109.3 . . ?
H17C C173 H17D 108.0 . . ?
C40 C174 C172 120.6(4) . . ?
C40 C174 H174 119.7 . . ?
C172 C174 H174 119.7 . . ?
O18 C175 N9 121.7(3) . . ?
O18 C175 N8 122.6(3) . . ?
N9 C175 N8 115.7(3) . . ?
N40 C176 C17 110.5(3) . 4_656 ?
N40 C176 H17E 109.5 . . ?
C17 C176 H17E 109.6 4_656 . ?
N40 C176 H17F 109.6 . . ?
C17 C176 H17F 109.6 4_656 . ?
H17E C176 H17F 108.1 . . ?
C164 C177 N35 106.6(3) . . ?
C164 C177 H177 126.7 . . ?
N35 C177 H177 126.7 . . ?
N9 C178 C173 111.4(3) . . ?
N9 C178 H17G 109.4 . . ?
C173 C178 H17G 109.4 . . ?
N9 C178 H17H 109.4 . . ?
C173 C178 H17H 109.4 . . ?
H17G C178 H17H 108.0 . . ?
N33 C179 C140 110.6(2) . . ?
N33 C179 H17I 109.5 . . ?
C140 C179 H17I 109.5 . . ?
N33 C179 H17J 109.5 . . ?
C140 C179 H17J 109.5 . . ?
H17I C179 H17J 108.1 . . ?
C181 C180 C126 107.4(5) . . ?
C181 C180 H18A 110.2 . . ?
C126 C180 H18A 110.2 . . ?
C181 C180 H18B 110.2 . . ?
C126 C180 H18B 110.2 . . ?
H18A C180 H18B 108.5 . . ?
C180 C181 N8 103.6(4) . . ?
C180 C181 H18C 111.0 . . ?
N8 C181 H18C 111.0 . . ?
C180 C181 H18D 111.0 . . ?
N8 C181 H18D 111.0 . . ?
H18C C181 H18D 109.0 . . ?
C118 C182 C119 114.8(4) . . ?
C118 C182 H18E 108.6 . . ?
C119 C182 H18E 108.6 . . ?
C118 C182 H18F 108.6 . . ?
C119 C182 H18F 108.6 . . ?
H18E C182 H18F 107.6 . . ?

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
C134 N44 C1 N10 -0.8(3) . . . . ?
Zn3 N44 C1 N10 170.56(18) . . . . ?
C138 N10 C1 N44 0.8(3) . . . . ?
C38 N10 C1 N44 -178.5(2) . . . . ?
C144 N15 C2 N21 0.8(3) . . . . ?
Zn7 N15 C2 N21 -171.38(19) . . . . ?
C52 N21 C2 N15 -0.8(3) . . . . ?
C155 N21 C2 N15 178.2(3) . . . . ?
C42 N19 C3 N33 0.3(3) . . . . ?
Zn1 N19 C3 N33 -173.18(19) . . . . ?
C43 N33 C3 N19 -0.3(4) . . . . ?
C179 N33 C3 N19 176.9(3) . . . . ?
Zn3 O40 C5 O41 -5.3(4) . . . . ?
Zn3 O40 C5 C68 176.7(2) . . . . ?
C137 N20 C6 N52 0.1(3) . . . . ?
Zn4 N20 C6 N52 -170.23(19) . . . . ?
C36 N52 C6 N20 -0.5(3) . . . . ?
C157 N52 C6 N20 179.0(3) . . . . ?
C65 N22 C8 N53 -0.4(3) . . . . ?
Zn4 N22 C8 N53 -176.56(18) . . . . ?
C70 N53 C8 N22 0.2(3) . . . . ?
C77 N53 C8 N22 -177.2(2) . . . . ?
C10 N6 C9 O12 -175.0(3) . . . . ?
Zn5 N6 C9 O12 0.0(5) 3_856 . . . ?
C10 N6 C9 N4 3.6(4) . . . . ?
Zn5 N6 C9 N4 178.5(2) 3_856 . . . ?
C146 N4 C9 O12 174.1(3) . . . . ?
C93 N4 C9 O12 -1.6(5) . . . . ?
C146 N4 C9 N6 -4.5(5) . . . . ?
C93 N4 C9 N6 179.8(3) . . . . ?
C9 N6 C10 O10 178.2(3) . . . . ?
Zn5 N6 C10 O10 2.9(4) 3_856 . . . ?
C9 N6 C10 N5 -0.8(4) . . . . ?
Zn5 N6 C10 N5 -176.1(2) 3_856 . . . ?
C146 N5 C10 O10 179.8(3) . . . . ?
C85 N5 C10 O10 -0.2(4) . . . . ?
C146 N5 C10 N6 -1.2(4) . . . . ?
C85 N5 C10 N6 178.8(3) . . . . ?
C147 N16 C11 N51 0.1(3) . . . . ?
Zn3 N16 C11 N51 176.66(18) . . . . ?
C73 N51 C11 N16 0.1(3) . . . . ?
C159 N51 C11 N16 177.1(2) . . . . ?
C16 N32 C12 O32 176.2(3) . . . . ?
Zn5 N32 C12 O32 10.5(4) . . . . ?
C16 N32 C12 N38 -1.7(4) . . . . ?
Zn5 N32 C12 N38 -167.4(2) . . . . ?
C44 N38 C12 O32 178.4(3) . . . . ?
C81 N38 C12 O32 -3.3(5) . . . . ?
C44 N38 C12 N32 -3.6(5) . . . . ?
C81 N38 C12 N32 174.7(3) . . . . ?
C46 N50 C13 N27 0.2(3) . . . . ?
Zn8 N50 C13 N27 172.3(2) 2_656 . . . ?
C158 N27 C13 N50 0.0(4) . . . . ?
C124 N27 C13 N50 -177.2(3) . . . . ?
C82 N12 C14 N36 -0.8(4) . . . . ?
Zn5 N12 C14 N36 168.0(2) . . . . ?
C100 N36 C14 N12 0.7(4) . . . . ?
C116 N36 C14 N12 179.5(3) . . . . ?
C149 N3 C15 O2 -175.7(3) . . . . ?
Zn6 N3 C15 O2 -10.2(5) . . . . ?
C149 N3 C15 N2 1.9(5) . . . . ?
Zn6 N3 C15 N2 167.3(2) . . . . ?
C96 N2 C15 O2 -178.8(4) . . . . ?
C112 N2 C15 O2 4.1(5) . . . . ?
C96 N2 C15 N3 3.6(5) . . . . ?
C112 N2 C15 N3 -173.5(3) . . . . ?
C12 N32 C16 O31 -172.5(3) . . . . ?
Zn5 N32 C16 O31 -6.2(4) . . . . ?
C12 N32 C16 N42 6.8(4) . . . . ?
Zn5 N32 C16 N42 173.1(2) . . . . ?
C44 N42 C16 O31 172.2(3) . . . . ?
C84 N42 C16 O31 -2.0(5) . . . . ?
C44 N42 C16 N32 -7.1(4) . . . . ?
C84 N42 C16 N32 178.7(3) . . . . ?
Zn4 O5 C19 O4 4.6(4) . . . . ?
Zn4 O5 C19 C171 -176.5(2) . . . . ?
C141 C4 C20 C130 0.8(4) . . . . ?
C77 C4 C20 C130 -178.6(3) . . . . ?
C64 N14 C24 O34 172.7(3) . . . . ?
Zn9 N14 C24 O34 5.3(4) 3_556 . . . ?
C64 N14 C24 N41 -6.8(5) . . . . ?
Zn9 N14 C24 N41 -174.1(2) 3_556 . . . ?
C121 N41 C24 O34 -172.6(4) . . . . ?
C72 N41 C24 O34 1.1(5) . . . . ?
C121 N41 C24 N14 6.8(5) . . . . ?
C72 N41 C24 N14 -179.4(3) . . . . ?
C74 N17 C25 N28 0.5(4) . . . . ?
Zn6 N17 C25 N28 -168.1(2) 1_654 . . . ?
C115 N28 C25 N17 -0.5(4) . . . . ?
C110 N28 C25 N17 -178.8(3) . . . . ?
C37 N23 C26 O27 -178.1(3) . . . . ?
Zn6 N23 C26 O27 -2.5(4) 3_557 . . . ?
C37 N23 C26 N47 0.5(5) . . . . ?
Zn6 N23 C26 N47 176.0(2) 3_557 . . . ?
C87 N47 C26 O27 -179.4(3) . . . . ?
C166 N47 C26 O27 0.3(5) . . . . ?
C87 N47 C26 N23 2.0(5) . . . . ?
C166 N47 C26 N23 -178.3(3) . . . . ?
C154 N54 C27 N39 0.0(4) . . . . ?
Zn2 N54 C27 N39 173.4(2) . . . . ?
C67 N39 C27 N54 -0.1(4) . . . . ?
C125 N39 C27 N54 -177.1(3) . . . . ?
C163 N49 C28 N40 -0.5(4) . . . . ?
Zn9 N49 C28 N40 169.9(2) . . . . ?
C109 N40 C28 N49 -0.1(4) . . . . ?
C176 N40 C28 N49 179.6(3) . . . . ?
C92 N31 C29 N55 -0.2(3) . . . . ?
Zn8 N31 C29 N55 175.97(19) 2_656 . . . ?
C106 N55 C29 N31 0.3(4) . . . . ?
C101 N55 C29 N31 176.6(3) . . . . ?
C55 N11 C30 N29 -0.7(3) . . . . ?
Zn5 N11 C30 N29 169.3(2) . . . . ?
C79 N29 C30 N11 0.7(4) . . . . ?
C108 N29 C30 N11 178.9(3) . . . . ?
C75 N13 C32 N34 0.3(3) . . . . ?
Zn6 N13 C32 N34 -168.9(2) 1_755 . . . ?
C98 N34 C32 N13 0.0(4) . . . . ?
C107 N34 C32 N13 -178.5(3) . . . . ?
C60 N7 C33 O17 -177.4(3) . . . . ?
Zn9 N7 C33 O17 -3.1(4) . . . . ?
C60 N7 C33 N9 1.4(5) . . . . ?
Zn9 N7 C33 N9 175.7(2) . . . . ?
C175 N9 C33 O17 179.3(4) . . . . ?
C178 N9 C33 O17 -0.8(5) . . . . ?
C175 N9 C33 N7 0.4(5) . . . . ?
C178 N9 C33 N7 -179.6(3) . . . . ?
C6 N52 C36 C137 0.8(3) . . . . ?
C157 N52 C36 C137 -178.8(3) . . . . ?
C26 N23 C37 O22 175.6(3) . . . . ?
Zn6 N23 C37 O22 0.3(5) 3_557 . . . ?
C26 N23 C37 N45 -4.2(5) . . . . ?
Zn6 N23 C37 N45 -179.5(2) 3_557 . . . ?
C87 N45 C37 O22 -174.0(4) . . . . ?
C118 N45 C37 O22 1.9(6) . . . . ?
C87 N45 C37 N23 5.8(6) . . . . ?
C118 N45 C37 N23 -178.3(3) . . . . ?
C1 N10 C38 C7 -115.8(3) . . . . ?
C138 N10 C38 C7 65.0(4) . . . . ?
C142 C7 C38 N10 84.5(3) . . . . ?
C130 C7 C38 N10 -93.2(3) . . . . ?
C135 C34 C41 C133 -0.4(5) . . . . ?
C3 N19 C42 C43 -0.1(4) . . . . ?
Zn1 N19 C42 C43 173.3(2) . . . . ?
N19 C42 C43 N33 -0.1(4) . . . . ?
C3 N33 C43 C42 0.3(4) . . . . ?
C179 N33 C43 C42 -176.9(3) . . . . ?
C16 N42 C44 O35 -177.8(3) . . . . ?
C84 N42 C44 O35 -3.5(5) . . . . ?
C16 N42 C44 N38 2.1(5) . . . . ?
C84 N42 C44 N38 176.4(3) . . . . ?
C12 N38 C44 O35 -176.8(3) . . . . ?
C81 N38 C44 O35 5.0(5) . . . . ?
C12 N38 C44 N42 3.3(5) . . . . ?
C81 N38 C44 N42 -174.9(3) . . . . ?
C13 N50 C46 C158 -0.3(4) . . . . ?
Zn8 N50 C46 C158 -172.3(2) 2_656 . . . ?
C104 N30 C49 N37 -0.3(3) . . . . ?
Zn1 N30 C49 N37 -175.92(19) . . . . ?
C111 N37 C49 N30 0.4(4) . . . . ?
C122 N37 C49 N30 -177.2(3) . . . . ?
C162 N25 C50 N43 0.2(3) . . . . ?
Zn7 N25 C50 N43 -176.57(19) . . . . ?
C170 N43 C50 N25 -0.7(4) . . . . ?
C88 N43 C50 N25 -177.9(3) . . . . ?
C2 N21 C52 C144 0.4(3) . . . . ?
C155 N21 C52 C144 -178.5(3) . . . . ?
C120 N26 C53 N48 0.7(3) . . . . ?
Zn2 N26 C53 N48 175.45(19) . . . . ?
C113 N48 C53 N26 -0.1(4) . . . . ?
C127 N48 C53 N26 177.1(3) . . . . ?
Zn7 O42 C54 O28 3.9(5) . . . . ?
Zn7 O42 C54 C168 -177.1(2) . . . . ?
C30 N11 C55 C79 0.5(4) . . . . ?
Zn5 N11 C55 C79 -170.9(2) . . . . ?
C167 C22 C56 C161 0.4(5) . . . . ?
C110 C22 C56 C161 177.3(3) . . . . ?
C164 N24 C57 N35 -0.7(4) . . . . ?
Zn9 N24 C57 N35 167.2(2) . . . . ?
C177 N35 C57 N24 1.1(4) . . . . ?
C123 N35 C57 N24 178.0(3) . . . . ?
C174 C40 C58 C69 -1.6(5) . . . . ?
C125 C40 C58 C69 176.8(3) . . . . ?
Zn3 O8 C59 O9 4.8(5) . . . . ?
Zn3 O8 C59 C45 -175.0(2) . . . . ?
C85 C45 C59 O9 99.4(5) . . . . ?
C85 C45 C59 O8 -80.8(4) . . . . ?
C33 N7 C60 O19 174.6(4) . . . . ?
Zn9 N7 C60 O19 0.6(6) . . . . ?
C33 N7 C60 N8 -5.4(6) . . . . ?
Zn9 N7 C60 N8 -179.3(3) . . . . ?
C175 N8 C60 O19 -172.0(4) . . . . ?
C181 N8 C60 O19 7.6(7) . . . . ?
C175 N8 C60 N7 7.9(7) . . . . ?
C181 N8 C60 N7 -172.5(4) . . . . ?
C83 C23 C61 C143 0.1(5) . . . . ?
C101 C23 C61 C143 178.1(3) . . . . ?
C80 C31 C62 C71 0.4(5) . . . . ?
C127 C31 C62 C71 -177.4(3) . . . . ?
C169 C21 C63 C160 0.9(5) . . . . ?
C123 C21 C63 C160 -176.1(3) . . . . ?
C24 N14 C64 O36 -176.5(4) . . . . ?
Zn9 N14 C64 O36 -9.8(5) 3_556 . . . ?
C24 N14 C64 N46 2.2(5) . . . . ?
Zn9 N14 C64 N46 168.9(3) 3_556 . . . ?
C121 N46 C64 O36 -178.3(4) . . . . ?
C131 N46 C64 O36 11.8(6) . . . . ?
C121 N46 C64 N14 2.9(7) . . . . ?
C131 N46 C64 N14 -166.9(3) . . . . ?
C8 N22 C65 C70 0.4(4) . . . . ?
Zn4 N22 C65 C70 176.8(2) . . . . ?
C27 N39 C67 C154 0.3(4) . . . . ?
C125 N39 C67 C154 177.2(3) . . . . ?
O41 C5 C68 C81 -1.3(4) . . . . ?
O40 C5 C68 C81 176.7(3) . . . . ?
C40 C58 C69 C148 0.7(5) . . . . ?
N22 C65 C70 N53 -0.2(4) . . . . ?
C8 N53 C70 C65 0.0(4) . . . . ?
C77 N53 C70 C65 177.4(3) . . . . ?
C31 C62 C71 C140 0.5(5) . . . . ?
C121 N41 C72 C114 78.6(4) . . . . ?
C24 N41 C72 C114 -95.6(4) . . . . ?
C11 N51 C73 C147 -0.2(3) . . . . ?
C159 N51 C73 C147 -177.2(3) . . . . ?
C25 N17 C74 C115 -0.4(4) . . . . ?
Zn6 N17 C74 C115 169.7(3) 1_654 . . . ?
C32 N13 C75 C98 -0.4(4) . . . . ?
Zn6 N13 C75 C98 170.2(2) 1_755 . . . ?
C8 N53 C77 C4 91.7(4) . . . . ?
C70 N53 C77 C4 -85.2(4) . . . . ?
C141 C4 C77 N53 -115.3(3) . . . . ?
C20 C4 C77 N53 64.1(4) . . . . ?
C90 C35 C78 C66 0.4(5) . . . . ?
C108 C35 C78 C66 -178.0(3) . . . . ?
C136 C66 C78 C35 -0.5(5) . . . . ?
N11 C55 C79 N29 -0.1(4) . . . . ?
C30 N29 C79 C55 -0.4(4) . . . . ?
C108 N29 C79 C55 -178.6(3) . . . . ?
C62 C31 C80 C48 -0.3(5) . . . . ?
C127 C31 C80 C48 177.4(3) . . . . ?
C140 C48 C80 C31 -0.6(5) . . . . ?
C44 N38 C81 C68 -93.2(3) . . . . ?
C12 N38 C81 C68 88.4(4) . . . . ?
C5 C68 C81 N38 -167.4(3) . . . . ?
C14 N12 C82 C100 0.6(4) . . . . ?
Zn5 N12 C82 C100 -169.6(3) . . . . ?
C61 C23 C83 C76 -0.2(5) . . . . ?
C101 C23 C83 C76 -178.1(3) . . . . ?
C132 C76 C83 C23 1.0(5) . . . . ?
C44 N42 C84 C105 -80.5(4) . . . . ?
C16 N42 C84 C105 94.0(4) . . . . ?
C146 N5 C85 C45 77.0(4) . . . . ?
C10 N5 C85 C45 -103.1(3) . . . . ?
C59 C45 C85 N5 -179.1(3) . . . . ?
C91 C51 C86 C95 -1.7(5) . . . . ?
C88 C51 C86 C95 177.6(3) . . . . ?
C37 N45 C87 O23 176.3(4) . . . . ?
C118 N45 C87 O23 0.4(6) . . . . ?
C37 N45 C87 N47 -3.3(5) . . . . ?
C118 N45 C87 N47 -179.2(3) . . . . ?
C26 N47 C87 O23 179.7(4) . . . . ?
C166 N47 C87 O23 0.0(6) . . . . ?
C26 N47 C87 N45 -0.6(5) . . . . ?
C166 N47 C87 N45 179.6(3) . . . . ?
C50 N43 C88 C51 90.9(4) . . . . ?
C170 N43 C88 C51 -85.7(4) . . . . ?
C86 C51 C88 N43 -109.2(4) . . . . ?
C91 C51 C88 N43 70.0(4) . . . . ?
Zn8 O6 C89 O7 6.3(6) . . . . ?
Zn8 O6 C89 C128 -171.8(3) . . . . ?
C78 C35 C90 C47 -0.8(5) . . . . ?
C108 C35 C90 C47 177.6(3) . . . . ?
C136 C47 C90 C35 1.3(5) . . . . ?
C86 C51 C91 C156 1.2(5) . . . . ?
C88 C51 C91 C156 -178.1(3) . . . . ?
C29 N31 C92 C106 0.0(4) . . . . ?
Zn8 N31 C92 C106 -176.2(2) 2_656 . . . ?
C146 N4 C93 C129 -90.1(4) . . . . ?
C9 N4 C93 C129 85.8(4) . . . . ?
Zn4 O15 C94 O16 -7.3(7) . . . . ?
Zn4 O15 C94 C173 174.0(3) . . . . ?
C156 C18 C95 C86 0.5(5) . . . . ?
C124 C18 C95 C86 -176.4(3) . . . . ?
C51 C86 C95 C18 0.9(5) . . . . ?
C149 N1 C96 O3 177.5(4) . . . . ?
C117 N1 C96 O3 3.8(6) . . . . ?
C149 N1 C96 N2 -3.3(5) . . . . ?
C117 N1 C96 N2 -177.0(3) . . . . ?
C15 N2 C96 O3 176.4(4) . . . . ?
C112 N2 C96 O3 -6.5(6) . . . . ?
C15 N2 C96 N1 -2.8(5) . . . . ?
C112 N2 C96 N1 174.3(3) . . . . ?
Zn1 O13 C97 O14 2.7(5) . . . . ?
Zn1 O13 C97 C129 -176.9(3) . . . . ?
N13 C75 C98 N34 0.4(4) . . . . ?
C32 N34 C98 C75 -0.2(4) . . . . ?
C107 N34 C98 C75 178.3(3) . . . . ?
Zn7 O30 C99 O37 -4.6(6) 1_556 . . . ?
Zn7 O30 C99 C103 175.2(2) 1_556 . . . ?
N12 C82 C100 N36 -0.2(4) . . . . ?
C14 N36 C100 C82 -0.3(4) . . . . ?
C116 N36 C100 C82 -179.1(3) . . . . ?
C29 N55 C101 C23 -93.4(4) . . . . ?
C106 N55 C101 C23 82.2(4) . . . . ?
C83 C23 C101 N55 112.4(4) . . . . ?
C61 C23 C101 N55 -65.6(4) . . . . ?
Zn2 O38 C102 O33 6.5(6) . . . . ?
Zn2 O38 C102 C114 -172.4(3) . . . . ?
O37 C99 C103 C166 -98.7(5) . . . . ?
O30 C99 C103 C166 81.5(4) . . . . ?
C49 N30 C104 C111 0.1(4) . . . . ?
Zn1 N30 C104 C111 175.7(2) . . . . ?
N42 C84 C105 C153 179.8(3) . . . . ?
N31 C92 C106 N55 0.1(4) . . . . ?
C29 N55 C106 C92 -0.3(4) . . . . ?
C101 N55 C106 C92 -176.5(3) . . . . ?
C32 N34 C107 C136 114.7(3) . . . . ?
C98 N34 C107 C136 -63.5(5) . . . . ?
C30 N29 C108 C35 -115.0(4) . . . . ?
C79 N29 C108 C35 62.9(5) . . . . ?
C78 C35 C108 N29 80.8(4) . . . . ?
C90 C35 C108 N29 -97.6(4) . . . . ?
C28 N40 C109 C163 0.7(4) . . . . ?
C176 N40 C109 C163 -179.0(3) . . . . ?
C25 N28 C110 C22 115.5(4) . . . . ?
C115 N28 C110 C22 -62.4(5) . . . . ?
C56 C22 C110 N28 -84.4(4) . . . . ?
C167 C22 C110 N28 92.4(4) . . . . ?
N30 C104 C111 N37 0.2(4) . . . . ?
C49 N37 C111 C104 -0.4(4) . . . . ?
C122 N37 C111 C104 177.2(3) . . . . ?
C96 N2 C112 C171 93.2(4) . . . . ?
C15 N2 C112 C171 -89.5(4) . . . . ?
C53 N48 C113 C120 -0.6(4) . . . . ?
C127 N48 C113 C120 -177.7(3) . . . . ?
N41 C72 C114 C102 180.0(3) . . . . ?
O33 C102 C114 C72 75.5(5) . . . . ?
O38 C102 C114 C72 -105.6(4) . . . . ?
N17 C74 C115 N28 0.1(4) . . . . ?
C25 N28 C115 C74 0.2(4) . . . . ?
C110 N28 C115 C74 178.5(3) . . . . ?
C14 N36 C116 C139 -114.5(3) . . . . ?
C100 N36 C116 C139 64.0(5) . . . . ?
C96 N1 C117 C128 78.6(4) . . . . ?
C149 N1 C117 C128 -95.3(4) . . . . ?
C87 N45 C118 C182 89.6(4) . . . . ?
C37 N45 C118 C182 -86.5(4) . . . . ?
Zn2 O29 C119 O25 -1.9(5) . . . . ?
Zn2 O29 C119 C182 177.0(3) . . . . ?
N48 C113 C120 N26 1.0(4) . . . . ?
C53 N26 C120 C113 -1.1(4) . . . . ?
Zn2 N26 C120 C113 -175.9(2) . . . . ?
C24 N41 C121 O26 178.5(4) . . . . ?
C72 N41 C121 O26 4.6(6) . . . . ?
C24 N41 C121 N46 -2.0(6) . . . . ?
C72 N41 C121 N46 -176.0(4) . . . . ?
C64 N46 C121 O26 176.5(5) . . . . ?
C131 N46 C121 O26 -13.7(7) . . . . ?
C64 N46 C121 N41 -2.9(7) . . . . ?
C131 N46 C121 N41 166.9(4) . . . . ?
C49 N37 C122 C148 94.5(4) . . . . ?
C111 N37 C122 C148 -82.8(4) . . . . ?
C57 N35 C123 C21 -112.9(4) . . . . ?
C177 N35 C123 C21 63.4(5) . . . . ?
C63 C21 C123 N35 81.1(4) . . . . ?
C169 C21 C123 N35 -95.9(4) . . . . ?
C13 N27 C124 C18 -121.8(4) . . . . ?
C158 N27 C124 C18 61.6(5) . . . . ?
C95 C18 C124 N27 85.0(4) . . . . ?
C156 C18 C124 N27 -91.9(4) . . . . ?
C27 N39 C125 C40 -121.4(4) . . . . ?
C67 N39 C125 C40 62.3(5) . . . . ?
C174 C40 C125 N39 85.0(4) . . . . ?
C58 C40 C125 N39 -93.3(4) . . . . ?
Zn8 O20 C126 O21 -2.0(6) 1_554 . . . ?
Zn8 O20 C126 C180 177.0(3) 1_554 . . . ?
C53 N48 C127 C31 -93.7(4) . . . . ?
C113 N48 C127 C31 82.9(4) . . . . ?
C80 C31 C127 N48 -72.0(4) . . . . ?
C62 C31 C127 N48 105.7(4) . . . . ?
N1 C117 C128 C89 178.5(3) . . . . ?
O6 C89 C128 C117 -111.9(5) . . . . ?
O7 C89 C128 C117 69.9(6) . . . . ?
N4 C93 C129 C97 -167.2(3) . . . . ?
O14 C97 C129 C93 179.7(4) . . . . ?
O13 C97 C129 C93 -0.6(6) . . . . ?
C4 C20 C130 C7 0.6(5) . . . . ?
C142 C7 C130 C20 -1.9(4) . . . . ?
C38 C7 C130 C20 175.8(3) . . . . ?
C121 N46 C131 C168 97.0(5) . . . . ?
C64 N46 C131 C168 -92.6(5) . . . . ?
C83 C76 C132 C143 -1.6(5) . . . . ?
C83 C76 C132 C155 176.2(3) . . . . ?
C145 C39 C133 C41 0.7(4) . . . . ?
C145 C39 C133 C159 -178.4(3) . . . . ?
C34 C41 C133 C39 -0.8(4) . . . . ?
C34 C41 C133 C159 178.3(3) . . . . ?
C1 N44 C134 C138 0.5(3) . . . . ?
Zn3 N44 C134 C138 -170.4(2) . . . . ?
C41 C34 C135 C145 1.6(5) . . . . ?
C41 C34 C135 C157 -176.0(3) . . . . ?
C90 C47 C136 C66 -1.4(5) . . . . ?
C90 C47 C136 C107 177.1(3) . . . . ?
C78 C66 C136 C47 1.0(5) . . . . ?
C78 C66 C136 C107 -177.5(3) . . . . ?
N34 C107 C136 C47 -80.5(4) . . . . ?
N34 C107 C136 C66 98.0(4) . . . . ?
N52 C36 C137 N20 -0.8(4) . . . . ?
C6 N20 C137 C36 0.5(3) . . . . ?
Zn4 N20 C137 C36 170.3(2) . . . . ?
N44 C134 C138 N10 0.0(3) . . . . ?
C1 N10 C138 C134 -0.5(3) . . . . ?
C38 N10 C138 C134 178.8(3) . . . . ?
N36 C116 C139 C150 83.2(4) . . . . ?
N36 C116 C139 C161 -94.1(4) . . . . ?
C62 C71 C140 C48 -1.4(5) . . . . ?
C62 C71 C140 C179 176.9(3) . . . . ?
C80 C48 C140 C71 1.5(5) . . . . ?
C80 C48 C140 C179 -176.9(3) . . . . ?
C20 C4 C141 C142 -0.8(4) . . . . ?
C77 C4 C141 C142 178.6(3) . . . . ?
C130 C7 C142 C141 1.9(4) . . . . ?
C38 C7 C142 C141 -175.8(3) . . . . ?
C4 C141 C142 C7 -0.6(4) . . . . ?
C23 C61 C143 C132 -0.8(5) . . . . ?
C76 C132 C143 C61 1.6(5) . . . . ?
C155 C132 C143 C61 -176.3(3) . . . . ?
N21 C52 C144 N15 0.0(4) . . . . ?
C2 N15 C144 C52 -0.5(4) . . . . ?
Zn7 N15 C144 C52 171.3(2) . . . . ?
C34 C135 C145 C39 -1.7(5) . . . . ?
C157 C135 C145 C39 175.9(3) . . . . ?
C133 C39 C145 C135 0.5(5) . . . . ?
C9 N4 C146 O11 -176.7(3) . . . . ?
C93 N4 C146 O11 -1.0(5) . . . . ?
C9 N4 C146 N5 2.5(5) . . . . ?
C93 N4 C146 N5 178.2(3) . . . . ?
C10 N5 C146 O11 179.6(3) . . . . ?
C85 N5 C146 O11 -0.5(5) . . . . ?
C10 N5 C146 N4 0.4(5) . . . . ?
C85 N5 C146 N4 -179.7(3) . . . . ?
N51 C73 C147 N16 0.2(4) . . . . ?
C11 N16 C147 C73 -0.2(3) . . . . ?
Zn3 N16 C147 C73 -176.9(2) . . . . ?
C58 C69 C148 C172 0.3(5) . . . . ?
C58 C69 C148 C122 -177.6(3) . . . . ?
N37 C122 C148 C172 -107.4(4) . . . . ?
N37 C122 C148 C69 70.5(4) . . . . ?
C15 N3 C149 O1 172.6(3) . . . . ?
Zn6 N3 C149 O1 6.5(4) . . . . ?
C15 N3 C149 N1 -7.6(5) . . . . ?
Zn6 N3 C149 N1 -173.7(2) . . . . ?
C96 N1 C149 O1 -171.7(3) . . . . ?
C117 N1 C149 O1 1.8(5) . . . . ?
C96 N1 C149 N3 8.4(5) . . . . ?
C117 N1 C149 N3 -178.0(3) . . . . ?
C161 C139 C150 C167 0.6(5) . . . . ?
C116 C139 C150 C167 -176.8(3) . . . . ?
C160 C17 C152 C169 0.9(5) . . . . ?
C176 C17 C152 C169 178.3(3) 4 . . . ?
Zn1 O39 C153 O24 -7.4(5) 1_554 . . . ?
Zn1 O39 C153 C105 171.5(3) 1_554 . . . ?
C84 C105 C153 O24 -68.0(5) . . . . ?
C84 C105 C153 O39 113.1(4) . . . . ?
N39 C67 C154 N54 -0.3(4) . . . . ?
C27 N54 C154 C67 0.2(4) . . . . ?
Zn2 N54 C154 C67 -173.1(2) . . . . ?
C2 N21 C155 C132 116.3(3) . . . . ?
C52 N21 C155 C132 -64.9(4) . . . . ?
C76 C132 C155 N21 -84.0(4) . . . . ?
C143 C132 C155 N21 93.8(3) . . . . ?
C95 C18 C156 C91 -1.1(5) . . . . ?
C124 C18 C156 C91 175.9(3) . . . . ?
C51 C91 C156 C18 0.2(5) . . . . ?
C6 N52 C157 C135 117.2(3) . . . . ?
C36 N52 C157 C135 -63.3(4) . . . . ?
C145 C135 C157 N52 -85.0(4) . . . . ?
C34 C135 C157 N52 92.6(4) . . . . ?
N50 C46 C158 N27 0.3(4) . . . . ?
C13 N27 C158 C46 -0.2(4) . . . . ?
C124 N27 C158 C46 177.0(3) . . . . ?
C11 N51 C159 C133 -91.3(4) . . . . ?
C73 N51 C159 C133 85.2(4) . . . . ?
C39 C133 C159 N51 114.2(3) . . . . ?
C41 C133 C159 N51 -64.8(4) . . . . ?
C21 C63 C160 C17 -0.4(5) . . . . ?
C152 C17 C160 C63 -0.5(5) . . . . ?
C176 C17 C160 C63 -177.9(3) 4 . . . ?
C22 C56 C161 C139 -0.2(5) . . . . ?
C150 C139 C161 C56 -0.3(5) . . . . ?
C116 C139 C161 C56 177.1(3) . . . . ?
C50 N25 C162 C170 0.4(4) . . . . ?
Zn7 N25 C162 C170 177.3(2) . . . . ?
N40 C109 C163 N49 -1.0(4) . . . . ?
C28 N49 C163 C109 0.9(4) . . . . ?
Zn9 N49 C163 C109 -170.7(2) . . . . ?
C57 N24 C164 C177 -0.1(4) . . . . ?
Zn9 N24 C164 C177 -169.5(3) . . . . ?
C87 N47 C166 C103 -78.7(4) . . . . ?
C26 N47 C166 C103 101.6(4) . . . . ?
C99 C103 C166 N47 178.5(3) . . . . ?
C139 C150 C167 C22 -0.4(5) . . . . ?
C56 C22 C167 C150 -0.1(5) . . . . ?
C110 C22 C167 C150 -177.0(3) . . . . ?
N46 C131 C168 C54 168.0(3) . . . . ?
O42 C54 C168 C131 -176.3(3) . . . . ?
O28 C54 C168 C131 2.8(5) . . . . ?
C17 C152 C169 C21 -0.4(5) . . . . ?
C63 C21 C169 C152 -0.5(5) . . . . ?
C123 C21 C169 C152 176.6(3) . . . . ?
N25 C162 C170 N43 -0.8(4) . . . . ?
C50 N43 C170 C162 0.9(4) . . . . ?
C88 N43 C170 C162 178.0(3) . . . . ?
N2 C112 C171 C19 167.1(3) . . . . ?
O5 C19 C171 C112 -176.4(3) . . . . ?
O4 C19 C171 C112 2.6(5) . . . . ?
C69 C148 C172 C174 -0.5(5) . . . . ?
C122 C148 C172 C174 177.4(3) . . . . ?
O16 C94 C173 C178 -93.1(6) . . . . ?
O15 C94 C173 C178 85.6(4) . . . . ?
C58 C40 C174 C172 1.4(5) . . . . ?
C125 C40 C174 C172 -176.9(3) . . . . ?
C148 C172 C174 C40 -0.4(5) . . . . ?
C33 N9 C175 O18 -179.8(4) . . . . ?
C178 N9 C175 O18 0.2(6) . . . . ?
C33 N9 C175 N8 1.8(6) . . . . ?
C178 N9 C175 N8 -178.1(4) . . . . ?
C60 N8 C175 O18 175.6(5) . . . . ?
C181 N8 C175 O18 -4.0(7) . . . . ?
C60 N8 C175 N9 -6.1(7) . . . . ?
C181 N8 C175 N9 174.3(4) . . . . ?
C28 N40 C176 C17 -116.8(4) . . . 4_656 ?
C109 N40 C176 C17 62.9(5) . . . 4_656 ?
N24 C164 C177 N35 0.7(5) . . . . ?
C57 N35 C177 C164 -1.1(4) . . . . ?
C123 N35 C177 C164 -178.0(3) . . . . ?
C175 N9 C178 C173 -76.4(4) . . . . ?
C33 N9 C178 C173 103.7(4) . . . . ?
C94 C173 C178 N9 -179.7(3) . . . . ?
C3 N33 C179 C140 121.7(3) . . . . ?
C43 N33 C179 C140 -61.6(5) . . . . ?
C71 C140 C179 N33 -85.2(4) . . . . ?
C48 C140 C179 N33 93.1(4) . . . . ?
O21 C126 C180 C181 -178.8(5) . . . . ?
O20 C126 C180 C181 2.2(6) . . . . ?
C126 C180 C181 N8 167.9(3) . . . . ?
C175 N8 C181 C180 91.8(5) . . . . ?
C60 N8 C181 C180 -87.8(5) . . . . ?
N45 C118 C182 C119 166.9(3) . . . . ?
O25 C119 C182 C118 -179.2(4) . . . . ?
O29 C119 C182 C118 1.9(6) . . . . ?

_refine_diff_density_max         1.493
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.066




