# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2022

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

data_yg_wl_cage3thf
_database_code_depnum_ccdc_archive 'CCDC 2157667'
loop_
_audit_author_name
_audit_author_address
'Koen Robeyns'
;Universite catholique de Louvain
Belgium
;
_audit_update_record             
;
2022-03-10 deposited with the CCDC.	2022-05-15 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT023_yg_wl_cage3thf      
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..       0.41 Ang-1
RESPONSE: A data cut-off (1.21A) was imposed during integration, beyond 
which the crystal diffracted poorly. This is not surprising given the 
large system and the large solvent cavity. 
;
_vrf_PLAT090_yg_wl_cage3thf      
;
PROBLEM: Poor Data / Parameter Ratio (Zmax > 18) ........       3.25 Note
RESPONSE: A direct result of the diffraction limit (see above)
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C144 H120 Fe4 N48, 8(B F4) [+ solvent]'
_chemical_formula_sum            'C144 H120 B8 F32 Fe4 N48'
_chemical_formula_weight         3440.75

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'I a'
_space_group_name_Hall           'I -2ya'

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

_cell_length_a                   37.219(3)
_cell_length_b                   60.858(2)
_cell_length_c                   37.2320(19)
_cell_angle_alpha                90
_cell_angle_beta                 109.597(7)
_cell_angle_gamma                90
_cell_volume                     79448(9)
_cell_formula_units_Z            16
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8321
_cell_measurement_theta_min      2.1420
_cell_measurement_theta_max      16.5170

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_F_000             28032
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    0.369
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.85219
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'114 images, ΔΦ 1.5° '
;
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79869
_diffrn_reflns_av_unetI/netI     0.1712
_diffrn_reflns_av_R_equivalents  0.1245
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.008
_diffrn_reflns_theta_max         17.079
_diffrn_reflns_theta_full        17.079
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_point_group_measured_fraction_full 0.934
_reflns_number_total             43905
_reflns_number_gt                23026
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.875
_reflns_Friedel_fraction_max     0.872
_reflns_Friedel_fraction_full    0.872

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

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






_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_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_abs_structure_details 
;
 Flack x determined using 6048 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.002(15)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         43905
_refine_ls_number_parameters     7201
_refine_ls_number_restraints     53460
_refine_ls_R_factor_all          0.1635
_refine_ls_R_factor_gt           0.0943
_refine_ls_wR_factor_ref         0.2499
_refine_ls_wR_factor_gt          0.2096
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_restrained_S_all      0.835
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1_1 Fe 0.71036(19) -0.10083(9) 0.36782(19) 0.092(2) Uani 1 1 d . . . . .
Fe2_1 Fe 0.5538(2) 0.00670(11) -0.00161(19) 0.108(2) Uani 1 1 d . . . . .
Fe3_1 Fe 0.7326(2) 0.13715(9) 0.34158(19) 0.108(2) Uani 1 1 d . . . . .
Fe4_1 Fe 0.36524(19) 0.03081(10) 0.2837(2) 0.106(2) Uani 1 1 d . . . . .
N1_1 N 0.7143(6) -0.1312(3) 0.3431(6) 0.098(9) Uani 1 1 d DG U . . .
C2_1 C 0.7147(7) -0.1539(3) 0.3518(7) 0.106(11) Uani 1 1 d DG U . . .
H2_1 H 0.708140 -0.160208 0.372126 0.127 Uiso 1 1 calc R U . . .
C3_1 C 0.7267(7) -0.1656(2) 0.3248(7) 0.119(11) Uani 1 1 d DG U . . .
H3_1 H 0.729524 -0.181071 0.323853 0.142 Uiso 1 1 calc R U . . .
N4_1 N 0.7336(5) -0.1501(3) 0.2994(6) 0.108(9) Uani 1 1 d DG U . . .
C5_1 C 0.7260(5) -0.1288(2) 0.3108(5) 0.094(10) Uani 1 1 d DG U . . .
C6_1 C 0.7459(9) -0.1533(5) 0.2680(8) 0.137(16) Uani 1 1 d D U . . .
H6A_1 H 0.747890 -0.139062 0.256507 0.205 Uiso 1 1 calc R U . . .
H6B_1 H 0.770913 -0.160493 0.276489 0.205 Uiso 1 1 calc R U . . .
H6C_1 H 0.727496 -0.162585 0.249129 0.205 Uiso 1 1 calc R U . . .
C7_1 C 0.7281(8) -0.1085(3) 0.2962(8) 0.093(11) Uani 1 1 d D U . . .
H7_1 H 0.734794 -0.106766 0.273916 0.112 Uiso 1 1 calc R U . . .
N8_1 N 0.7207(8) -0.0921(3) 0.3133(7) 0.095(9) Uani 1 1 d D U . . .
C9_1 C 0.7161(6) -0.0710(2) 0.2949(6) 0.091(10) Uani 1 1 d DG U . . .
C10_1 C 0.6970(6) -0.0692(3) 0.2559(6) 0.085(10) Uani 1 1 d DG U . . .
H10_1 H 0.687153 -0.081933 0.241201 0.102 Uiso 1 1 calc R U . . .
C11_1 C 0.6924(6) -0.0487(3) 0.2384(5) 0.099(10) Uani 1 1 d DG U . . .
H11_1 H 0.679419 -0.047461 0.211734 0.118 Uiso 1 1 calc R U . . .
C12_1 C 0.7069(5) -0.0300(3) 0.2599(6) 0.090(10) Uani 1 1 d DG U . . .
C13_1 C 0.7259(6) -0.0318(3) 0.2989(6) 0.097(10) Uani 1 1 d DG U . . .
H13_1 H 0.735790 -0.019065 0.313564 0.116 Uiso 1 1 calc R U . . .
C14_1 C 0.7305(6) -0.0523(3) 0.3164(5) 0.088(10) Uani 1 1 d DG U . . .
H14_1 H 0.743525 -0.053536 0.343031 0.105 Uiso 1 1 calc R U . . .
C15_1 C 0.7028(4) -0.0085(3) 0.2421(6) 0.089(9) Uani 1 1 d D U . . .
N16_1 N 0.6887(4) -0.0075(4) 0.2039(6) 0.087(8) Uani 1 1 d D U . . .
N21_1 N 0.5579(6) 0.0335(3) -0.0366(6) 0.109(9) Uani 1 1 d DG U . . .
C22_1 C 0.5370(6) 0.0432(4) -0.0722(6) 0.127(12) Uani 1 1 d DG U . . .
H22_1 H 0.513246 0.038200 -0.089280 0.153 Uiso 1 1 calc R U . . .
C23_1 C 0.5579(7) 0.0617(4) -0.0778(5) 0.115(12) Uani 1 1 d DG U . . .
H23_1 H 0.550520 0.071176 -0.099252 0.138 Uiso 1 1 calc R U . . .
N24_1 N 0.5917(6) 0.0634(3) -0.0456(5) 0.096(9) Uani 1 1 d DG U . . .
C25_1 C 0.5917(5) 0.0460(3) -0.0202(5) 0.110(11) Uani 1 1 d DG U . . .
C26_1 C 0.6212(8) 0.0789(4) -0.0380(9) 0.122(14) Uani 1 1 d D U . . .
H26A_1 H 0.615613 0.089381 -0.059123 0.183 Uiso 1 1 calc R U . . .
H26B_1 H 0.623465 0.086733 -0.014370 0.183 Uiso 1 1 calc R U . . .
H26C_1 H 0.645288 0.071328 -0.035180 0.183 Uiso 1 1 calc R U . . .
C27_1 C 0.6173(7) 0.0404(4) 0.0144(6) 0.108(11) Uani 1 1 d D U . . .
H27_1 H 0.639766 0.048865 0.025644 0.130 Uiso 1 1 calc R U . . .
N28_1 N 0.6103(7) 0.0238(4) 0.0309(5) 0.093(9) Uani 1 1 d D U . . .
C29_1 C 0.6328(6) 0.0214(3) 0.0708(4) 0.093(10) Uani 1 1 d DG U . . .
C30_1 C 0.6419(6) 0.0004(3) 0.0860(5) 0.097(10) Uani 1 1 d DG U . . .
H30_1 H 0.635169 -0.012075 0.069863 0.117 Uiso 1 1 calc R U . . .
C31_1 C 0.6609(6) -0.0022(3) 0.1249(5) 0.103(10) Uani 1 1 d DG U . . .
H31_1 H 0.667183 -0.016534 0.135259 0.123 Uiso 1 1 calc R U . . .
C32_1 C 0.6708(5) 0.0161(3) 0.1485(4) 0.080(9) Uani 1 1 d DG U . . .
C33_1 C 0.6616(6) 0.0370(3) 0.1333(5) 0.089(10) Uani 1 1 d DG U . . .
H33_1 H 0.668369 0.049524 0.149439 0.107 Uiso 1 1 calc R U . . .
C34_1 C 0.6426(6) 0.0397(3) 0.0944(6) 0.092(10) Uani 1 1 d DG U . . .
H34_1 H 0.636355 0.053984 0.084043 0.110 Uiso 1 1 calc R U . . .
C35_1 C 0.6858(5) 0.0131(4) 0.1897(5) 0.084(9) Uani 1 1 d D U . . .
N36_1 N 0.6960(5) 0.0311(4) 0.2113(7) 0.095(9) Uani 1 1 d D U . . .
N41_1 N 0.7795(7) 0.1353(4) 0.3962(6) 0.131(10) Uani 1 1 d DG U . . .
C42_1 C 0.8009(9) 0.1491(3) 0.4266(7) 0.149(14) Uani 1 1 d DG U . . .
H42_1 H 0.793486 0.163176 0.432389 0.178 Uiso 1 1 calc R U . . .
C43_1 C 0.8354(8) 0.1380(4) 0.4468(6) 0.149(13) Uani 1 1 d DG U . . .
H43_1 H 0.855110 0.143488 0.468499 0.179 Uiso 1 1 calc R U . . .
N44_1 N 0.8354(6) 0.1174(4) 0.4289(6) 0.157(12) Uani 1 1 d DG U . . .
C45_1 C 0.8008(6) 0.1157(3) 0.3976(5) 0.132(12) Uani 1 1 d DG U . . .
C46_1 C 0.8633(9) 0.1009(6) 0.4386(11) 0.20(2) Uani 1 1 d D U . . .
H46A_1 H 0.854919 0.088575 0.420750 0.294 Uiso 1 1 calc R U . . .
H46B_1 H 0.887320 0.106763 0.437327 0.294 Uiso 1 1 calc R U . . .
H46C_1 H 0.867073 0.095724 0.464574 0.294 Uiso 1 1 calc R U . . .
C47_1 C 0.7865(8) 0.0996(4) 0.3713(7) 0.127(12) Uani 1 1 d D U . . .
H47_1 H 0.798327 0.085590 0.374253 0.152 Uiso 1 1 calc R U . . .
N48_1 N 0.7571(7) 0.1036(3) 0.3428(6) 0.095(9) Uani 1 1 d D U . . .
C49_1 C 0.7429(6) 0.0849(3) 0.3179(6) 0.100(10) Uani 1 1 d DG U . . .
C50_1 C 0.7399(7) 0.0647(3) 0.3340(5) 0.097(10) Uani 1 1 d DG U . . .
H50_1 H 0.745508 0.063450 0.360806 0.116 Uiso 1 1 calc R U . . .
C51_1 C 0.7288(6) 0.0462(3) 0.3110(6) 0.094(10) Uani 1 1 d DG U . . .
H51_1 H 0.726756 0.032361 0.322027 0.113 Uiso 1 1 calc R U . . .
C52_1 C 0.7206(6) 0.0479(3) 0.2718(6) 0.090(9) Uani 1 1 d DG U . . .
C53_1 C 0.7235(6) 0.0682(3) 0.2557(5) 0.095(10) Uani 1 1 d DG U . . .
H53_1 H 0.717949 0.069374 0.228958 0.113 Uiso 1 1 calc R U . . .
C54_1 C 0.7347(6) 0.0866(3) 0.2788(6) 0.091(10) Uani 1 1 d DG U . . .
H54_1 H 0.736700 0.100464 0.267737 0.109 Uiso 1 1 calc R U . . .
C55_1 C 0.7093(5) 0.0286(3) 0.2478(7) 0.097(10) Uani 1 1 d D U . . .
N56_1 N 0.7138(5) 0.0091(4) 0.2656(8) 0.089(8) Uani 1 1 d D U . . .
N61_1 N 0.5020(6) -0.0022(4) -0.0433(6) 0.129(10) Uani 1 1 d DG U . . .
C62_1 C 0.4888(8) -0.0136(4) -0.0785(7) 0.142(14) Uani 1 1 d DG U . . .
H62_1 H 0.503787 -0.022498 -0.088944 0.171 Uiso 1 1 calc R U . . .
C63_1 C 0.4491(8) -0.0094(4) -0.0954(5) 0.137(12) Uani 1 1 d DG U . . .
H63_1 H 0.432968 -0.014956 -0.119188 0.164 Uiso 1 1 calc R U . . .
N64_1 N 0.4379(6) 0.0047(3) -0.0707(6) 0.139(11) Uani 1 1 d DG U . . .
C65_1 C 0.4706(6) 0.0091(3) -0.0384(5) 0.140(12) Uani 1 1 d DG U . . .
C66_1 C 0.4021(8) 0.0137(6) -0.0740(11) 0.20(2) Uani 1 1 d D U . . .
H66A_1 H 0.383204 0.008777 -0.097974 0.298 Uiso 1 1 calc R U . . .
H66B_1 H 0.394524 0.008732 -0.052539 0.298 Uiso 1 1 calc R U . . .
H66C_1 H 0.403775 0.029734 -0.073792 0.298 Uiso 1 1 calc R U . . .
C67_1 C 0.4744(7) 0.0217(5) -0.0069(7) 0.123(12) Uani 1 1 d D U . . .
H67_1 H 0.453156 0.028716 -0.003213 0.148 Uiso 1 1 calc R U . . .
N68_1 N 0.5075(7) 0.0235(4) 0.0169(6) 0.100(9) Uani 1 1 d D U . . .
C69_1 C 0.5118(6) 0.0347(3) 0.0521(4) 0.088(10) Uani 1 1 d DG U . . .
C70_1 C 0.4836(5) 0.0331(3) 0.0688(5) 0.090(10) Uani 1 1 d DG U . . .
H70_1 H 0.460271 0.025853 0.055764 0.107 Uiso 1 1 calc R U . . .
C71_1 C 0.4896(5) 0.0422(3) 0.1046(5) 0.088(10) Uani 1 1 d DG U . . .
H71_1 H 0.470328 0.041141 0.116020 0.105 Uiso 1 1 calc R U . . .
C72_1 C 0.5237(6) 0.0528(3) 0.1237(4) 0.071(9) Uani 1 1 d DG U . . .
C73_1 C 0.5519(5) 0.0544(3) 0.1070(5) 0.091(10) Uani 1 1 d DG U . . .
H73_1 H 0.575224 0.061623 0.120038 0.110 Uiso 1 1 calc R U . . .
C74_1 C 0.5459(6) 0.0453(3) 0.0712(6) 0.085(9) Uani 1 1 d DG U . . .
H74_1 H 0.565169 0.046335 0.059781 0.102 Uiso 1 1 calc R U . . .
C75_1 C 0.5298(7) 0.0637(2) 0.1601(5) 0.086(10) Uani 1 1 d D U . . .
N76_1 N 0.5622(6) 0.0753(3) 0.1746(6) 0.083(8) Uani 1 1 d D U . . .
N81_1 N 0.7679(6) 0.1532(3) 0.3149(6) 0.115(10) Uani 1 1 d DG U . . .
C82_1 C 0.8036(6) 0.1641(4) 0.3249(6) 0.124(12) Uani 1 1 d DG U . . .
H82_1 H 0.822376 0.164601 0.349551 0.149 Uiso 1 1 calc R U . . .
C83_1 C 0.8065(6) 0.1740(4) 0.2914(8) 0.130(12) Uani 1 1 d DG U . . .
H83_1 H 0.827444 0.182370 0.289802 0.156 Uiso 1 1 calc R U . . .
N84_1 N 0.7725(6) 0.1693(3) 0.2608(6) 0.136(11) Uani 1 1 d DG U . . .
C85_1 C 0.7486(5) 0.1564(3) 0.2753(6) 0.124(11) Uani 1 1 d DG U . . .
C86_1 C 0.7616(11) 0.1754(5) 0.2222(7) 0.180(18) Uani 1 1 d D U . . .
H86A_1 H 0.781859 0.184180 0.217979 0.270 Uiso 1 1 calc R U . . .
H86B_1 H 0.757164 0.162166 0.206262 0.270 Uiso 1 1 calc R U . . .
H86C_1 H 0.738055 0.184080 0.215365 0.270 Uiso 1 1 calc R U . . .
C87_1 C 0.7133(6) 0.1477(4) 0.2577(7) 0.115(12) Uani 1 1 d D U . . .
H87_1 H 0.700405 0.149873 0.231201 0.138 Uiso 1 1 calc R U . . .
N88_1 N 0.6983(6) 0.1369(4) 0.2777(7) 0.103(10) Uani 1 1 d D U . . .
C89_1 C 0.6643(5) 0.1245(3) 0.2592(6) 0.088(10) Uani 1 1 d DG U . . .
C90_1 C 0.6587(5) 0.1150(3) 0.2238(6) 0.078(9) Uani 1 1 d DG U . . .
H90_1 H 0.676544 0.117554 0.210997 0.094 Uiso 1 1 calc R U . . .
C91_1 C 0.6271(6) 0.1017(3) 0.2071(5) 0.085(10) Uani 1 1 d DG U . . .
H91_1 H 0.623304 0.095239 0.182866 0.102 Uiso 1 1 calc R U . . .
C92_1 C 0.6010(5) 0.0980(3) 0.2258(6) 0.070(9) Uani 1 1 d DG U . . .
C93_1 C 0.6066(5) 0.1074(3) 0.2612(6) 0.093(10) Uani 1 1 d DG U . . .
H93_1 H 0.588789 0.104866 0.273987 0.112 Uiso 1 1 calc R U . . .
C94_1 C 0.6382(6) 0.1207(3) 0.2779(5) 0.081(9) Uani 1 1 d DG U . . .
H94_1 H 0.642029 0.127180 0.302118 0.097 Uiso 1 1 calc R U . . .
C95_1 C 0.5668(5) 0.0849(3) 0.2080(6) 0.071(9) Uani 1 1 d D U . . .
N96_1 N 0.5418(6) 0.0838(3) 0.2269(7) 0.081(8) Uani 1 1 d D U . . .
N101_1 N 0.3524(7) 0.0526(3) 0.3211(7) 0.118(10) Uani 1 1 d DG U . . .
C102_1 C 0.3301(7) 0.0533(4) 0.3454(8) 0.131(13) Uani 1 1 d DG U . . .
H102_1 H 0.316004 0.041359 0.350488 0.157 Uiso 1 1 calc R U . . .
C103_1 C 0.3326(7) 0.0748(4) 0.3608(7) 0.139(13) Uani 1 1 d DG U . . .
H103_1 H 0.320455 0.079794 0.378019 0.167 Uiso 1 1 calc R U . . .
N104_1 N 0.3564(6) 0.0875(3) 0.3460(6) 0.134(11) Uani 1 1 d DG U . . .
C105_1 C 0.3687(5) 0.0738(3) 0.3214(6) 0.128(12) Uani 1 1 d DG U . . .
C106_1 C 0.3677(11) 0.1096(4) 0.3526(11) 0.173(18) Uani 1 1 d D U . . .
H10A_1 H 0.356219 0.116058 0.370308 0.260 Uiso 1 1 calc R U . . .
H10B_1 H 0.395523 0.110383 0.363703 0.260 Uiso 1 1 calc R U . . .
H10C_1 H 0.359109 0.117645 0.328459 0.260 Uiso 1 1 calc R U . . .
C107_1 C 0.3916(9) 0.0779(4) 0.3003(9) 0.130(13) Uani 1 1 d D U . . .
H107_1 H 0.402007 0.092098 0.299811 0.156 Uiso 1 1 calc R U . . .
N108_1 N 0.3986(7) 0.0622(4) 0.2814(8) 0.104(10) Uani 1 1 d D U . . .
C109_1 C 0.4260(5) 0.0656(3) 0.2623(6) 0.083(10) Uani 1 1 d DG U . . .
C110_1 C 0.4220(5) 0.0541(3) 0.2289(6) 0.086(10) Uani 1 1 d DG U . . .
H110_1 H 0.400316 0.045041 0.217849 0.104 Uiso 1 1 calc R U . . .
C111_1 C 0.4496(6) 0.0560(3) 0.2116(5) 0.094(10) Uani 1 1 d DG U . . .
H111_1 H 0.446879 0.048183 0.188731 0.113 Uiso 1 1 calc R U . . .
C112_1 C 0.4813(5) 0.0693(3) 0.2278(6) 0.079(9) Uani 1 1 d DG U . . .
C113_1 C 0.4854(5) 0.0807(3) 0.2612(6) 0.095(10) Uani 1 1 d DG U . . .
H113_1 H 0.507037 0.089798 0.272251 0.114 Uiso 1 1 calc R U . . .
C114_1 C 0.4577(6) 0.0788(3) 0.2785(5) 0.078(9) Uani 1 1 d DG U . . .
H114_1 H 0.460474 0.086656 0.301370 0.093 Uiso 1 1 calc R U . . .
C115_1 C 0.5097(6) 0.0713(3) 0.2090(6) 0.083(9) Uani 1 1 d D U . . .
N116_1 N 0.5023(7) 0.0609(3) 0.1756(6) 0.074(8) Uani 1 1 d D U . . .
N121_1 N 0.7085(7) 0.1685(3) 0.3487(7) 0.120(10) Uani 1 1 d DG U . . .
C122_1 C 0.7114(7) 0.1912(3) 0.3413(8) 0.125(13) Uani 1 1 d DG U . . .
H122_1 H 0.726512 0.197458 0.327775 0.151 Uiso 1 1 calc R U . . .
C123_1 C 0.6876(8) 0.2030(2) 0.3575(7) 0.115(11) Uani 1 1 d DG U . . .
H123_1 H 0.684071 0.218485 0.356714 0.138 Uiso 1 1 calc R U . . .
N124_1 N 0.6701(6) 0.1876(3) 0.3750(6) 0.106(9) Uani 1 1 d DG U . . .
C125_1 C 0.6830(6) 0.1663(2) 0.3696(5) 0.109(11) Uani 1 1 d DG U . . .
C126_1 C 0.6444(8) 0.1912(5) 0.3946(9) 0.130(15) Uani 1 1 d D U . . .
H12A_1 H 0.637553 0.177132 0.403286 0.194 Uiso 1 1 calc R U . . .
H12B_1 H 0.656370 0.200696 0.416667 0.194 Uiso 1 1 calc R U . . .
H12C_1 H 0.621406 0.198364 0.377579 0.194 Uiso 1 1 calc R U . . .
C127_1 C 0.6750(9) 0.1460(3) 0.3806(9) 0.106(11) Uani 1 1 d D U . . .
H127_1 H 0.657723 0.144390 0.394253 0.127 Uiso 1 1 calc R U . . .
N128_1 N 0.6910(7) 0.1295(3) 0.3722(8) 0.094(9) Uani 1 1 d D U . . .
C129_1 C 0.6749(6) 0.1084(2) 0.3769(6) 0.085(10) Uani 1 1 d DG U . . .
C130_1 C 0.6987(5) 0.0903(3) 0.3887(6) 0.095(10) Uani 1 1 d DG U . . .
H130_1 H 0.725588 0.092064 0.396275 0.114 Uiso 1 1 calc R U . . .
C131_1 C 0.6832(6) 0.0696(3) 0.3895(6) 0.092(10) Uani 1 1 d DG U . . .
H131_1 H 0.699461 0.057224 0.397599 0.110 Uiso 1 1 calc R U . . .
C132_1 C 0.6439(6) 0.0670(2) 0.3785(5) 0.079(9) Uani 1 1 d DG U . . .
C133_1 C 0.6201(5) 0.0851(3) 0.3667(6) 0.083(9) Uani 1 1 d DG U . . .
H133_1 H 0.593194 0.083372 0.359143 0.099 Uiso 1 1 calc R U . . .
C134_1 C 0.6356(6) 0.1058(3) 0.3659(6) 0.092(10) Uani 1 1 d DG U . . .
H134_1 H 0.619321 0.118211 0.357819 0.110 Uiso 1 1 calc R U . . .
C135_1 C 0.6273(7) 0.0451(3) 0.3744(4) 0.085(9) Uani 1 1 d D U . . .
N136_1 N 0.6510(8) 0.0279(4) 0.3806(4) 0.090(8) Uani 1 1 d D U . . .
N141_1 N 0.7680(6) -0.1038(3) 0.3985(6) 0.108(10) Uani 1 1 d DG U . . .
C142_1 C 0.7980(7) -0.1195(3) 0.4065(7) 0.114(12) Uani 1 1 d DG U . . .
H142_1 H 0.797463 -0.132829 0.393154 0.137 Uiso 1 1 calc R U . . .
C143_1 C 0.8288(6) -0.1116(4) 0.4380(7) 0.118(12) Uani 1 1 d DG U . . .
H143_1 H 0.852588 -0.118827 0.449365 0.141 Uiso 1 1 calc R U . . .
N144_1 N 0.8179(5) -0.0912(3) 0.4495(5) 0.114(10) Uani 1 1 d DG U . . .
C145_1 C 0.7803(5) -0.0863(3) 0.4251(5) 0.097(10) Uani 1 1 d DG U . . .
C146_1 C 0.8383(9) -0.0770(5) 0.4790(8) 0.142(16) Uani 1 1 d D U . . .
H14A_1 H 0.822581 -0.064156 0.479334 0.213 Uiso 1 1 calc R U . . .
H14B_1 H 0.844789 -0.084758 0.503397 0.213 Uiso 1 1 calc R U . . .
H14C_1 H 0.861721 -0.072273 0.474770 0.213 Uiso 1 1 calc R U . . .
C147_1 C 0.7572(6) -0.0689(4) 0.4242(7) 0.100(11) Uani 1 1 d D U . . .
H147_1 H 0.765858 -0.056904 0.441319 0.120 Uiso 1 1 calc R U . . .
N148_1 N 0.7241(6) -0.0691(3) 0.4001(8) 0.099(9) Uani 1 1 d D U . . .
C149_1 C 0.7014(5) -0.0493(3) 0.3952(6) 0.097(10) Uani 1 1 d DG U . . .
C150_1 C 0.7180(5) -0.0289(3) 0.3948(7) 0.097(10) Uani 1 1 d DG U . . .
H150_1 H 0.744578 -0.027888 0.398929 0.116 Uiso 1 1 calc R U . . .
C151_1 C 0.6958(6) -0.0100(3) 0.3884(6) 0.091(10) Uani 1 1 d DG U . . .
H151_1 H 0.707175 0.003938 0.388112 0.109 Uiso 1 1 calc R U . . .
C152_1 C 0.6570(6) -0.0115(3) 0.3824(5) 0.081(9) Uani 1 1 d DG U . . .
C153_1 C 0.6403(5) -0.0319(3) 0.3828(6) 0.091(10) Uani 1 1 d DG U . . .
H153_1 H 0.613767 -0.032944 0.378644 0.109 Uiso 1 1 calc R U . . .
C154_1 C 0.6625(6) -0.0508(3) 0.3892(6) 0.083(9) Uani 1 1 d DG U . . .
H154_1 H 0.651169 -0.064770 0.389462 0.100 Uiso 1 1 calc R U . . .
C155_1 C 0.6332(7) 0.0082(3) 0.3763(5) 0.085(9) Uani 1 1 d D U . . .
N156_1 N 0.5955(7) 0.0052(4) 0.3666(4) 0.080(8) Uani 1 1 d D U . . .
N161_1 N 0.3407(6) 0.0023(4) 0.3046(6) 0.132(10) Uani 1 1 d DG U . . .
C162_1 C 0.3051(5) -0.0063(4) 0.3043(8) 0.149(13) Uani 1 1 d DG U . . .
H162_1 H 0.280783 -0.002511 0.286726 0.178 Uiso 1 1 calc R U . . .
C163_1 C 0.3123(7) -0.0215(4) 0.3347(8) 0.156(13) Uani 1 1 d DG U . . .
H163_1 H 0.293618 -0.029747 0.341172 0.187 Uiso 1 1 calc R U . . .
N164_1 N 0.3523(7) -0.0224(3) 0.3539(6) 0.160(12) Uani 1 1 d DG U . . .
C165_1 C 0.3699(5) -0.0076(3) 0.3352(6) 0.142(12) Uani 1 1 d DG U . . .
C166_1 C 0.3736(11) -0.0349(5) 0.3857(9) 0.184(19) Uani 1 1 d D U . . .
H16A_1 H 0.400776 -0.031608 0.391851 0.276 Uiso 1 1 calc R U . . .
H16B_1 H 0.365661 -0.031179 0.407526 0.276 Uiso 1 1 calc R U . . .
H16C_1 H 0.369137 -0.050540 0.379789 0.276 Uiso 1 1 calc R U . . .
C167_1 C 0.4071(6) -0.0023(5) 0.3422(8) 0.128(12) Uani 1 1 d D U . . .
H167_1 H 0.426779 -0.009852 0.361325 0.154 Uiso 1 1 calc R U . . .
N168_1 N 0.4153(5) 0.0128(4) 0.3229(8) 0.098(9) Uani 1 1 d D U . . .
C169_1 C 0.4558(5) 0.0162(3) 0.3309(6) 0.094(10) Uani 1 1 d DG U . . .
C170_1 C 0.4784(6) -0.0017(3) 0.3292(6) 0.095(10) Uani 1 1 d DG U . . .
H170_1 H 0.466943 -0.015670 0.321376 0.114 Uiso 1 1 calc R U . . .
C171_1 C 0.5176(5) 0.0007(3) 0.3390(6) 0.088(10) Uani 1 1 d DG U . . .
H171_1 H 0.533017 -0.011512 0.337881 0.106 Uiso 1 1 calc R U . . .
C172_1 C 0.5343(4) 0.0211(3) 0.3506(5) 0.088(9) Uani 1 1 d DG U . . .
C173_1 C 0.5118(6) 0.0390(3) 0.3523(6) 0.087(10) Uani 1 1 d DG U . . .
H173_1 H 0.523252 0.052984 0.360131 0.104 Uiso 1 1 calc R U . . .
C174_1 C 0.4726(5) 0.0366(3) 0.3425(6) 0.092(10) Uani 1 1 d DG U . . .
H174_1 H 0.457179 0.048827 0.343625 0.111 Uiso 1 1 calc R U . . .
C175_1 C 0.5752(5) 0.0236(4) 0.3611(4) 0.080(9) Uani 1 1 d D U . . .
N176_1 N 0.5887(7) 0.0441(4) 0.3645(4) 0.083(8) Uani 1 1 d D U . . .
N181_1 N 0.3155(6) 0.0428(3) 0.2419(6) 0.113(10) Uani 1 1 d DG U . . .
C182_1 C 0.2854(7) 0.0580(3) 0.2377(7) 0.124(12) Uani 1 1 d DG U . . .
H182_1 H 0.282866 0.067482 0.257029 0.149 Uiso 1 1 calc R U . . .
C183_1 C 0.2597(6) 0.0565(3) 0.1997(8) 0.121(12) Uani 1 1 d DG U . . .
H183_1 H 0.236996 0.064838 0.189136 0.146 Uiso 1 1 calc R U . . .
N184_1 N 0.2739(5) 0.0404(3) 0.1804(6) 0.103(9) Uani 1 1 d DG U . . .
C185_1 C 0.3084(5) 0.0319(3) 0.2064(6) 0.106(11) Uani 1 1 d DG U . . .
C186_1 C 0.2589(8) 0.0330(5) 0.1426(7) 0.113(13) Uani 1 1 d D U . . .
H18A_1 H 0.235142 0.040846 0.129410 0.170 Uiso 1 1 calc R U . . .
H18B_1 H 0.277355 0.035749 0.129500 0.170 Uiso 1 1 calc R U . . .
H18C_1 H 0.253754 0.017195 0.142413 0.170 Uiso 1 1 calc R U . . .
C187_1 C 0.3329(7) 0.0163(4) 0.2017(7) 0.104(11) Uani 1 1 d D U . . .
H187_1 H 0.328593 0.009441 0.177693 0.125 Uiso 1 1 calc R U . . .
N188_1 N 0.3613(6) 0.0113(4) 0.2303(7) 0.093(9) Uani 1 1 d D U . . .
C189_1 C 0.3915(5) -0.0009(3) 0.2230(6) 0.089(10) Uani 1 1 d DG U . . .
C190_1 C 0.4121(6) -0.0164(3) 0.2492(6) 0.098(10) Uani 1 1 d DG U . . .
H190_1 H 0.405381 -0.019597 0.271111 0.117 Uiso 1 1 calc R U . . .
C191_1 C 0.4425(6) -0.0273(3) 0.2433(6) 0.097(10) Uani 1 1 d DG U . . .
H191_1 H 0.456558 -0.037930 0.261269 0.116 Uiso 1 1 calc R U . . .
C192_1 C 0.4523(5) -0.0227(3) 0.2113(6) 0.087(10) Uani 1 1 d DG U . . .
C193_1 C 0.4317(6) -0.0072(3) 0.1850(5) 0.083(10) Uani 1 1 d DG U . . .
H193_1 H 0.438418 -0.003983 0.163105 0.099 Uiso 1 1 calc R U . . .
C194_1 C 0.4013(6) 0.0037(3) 0.1909(6) 0.095(10) Uani 1 1 d DG U . . .
H194_1 H 0.387241 0.014352 0.172947 0.114 Uiso 1 1 calc R U . . .
C195_1 C 0.4874(5) -0.0314(2) 0.2078(7) 0.083(9) Uani 1 1 d D U . . .
N196_1 N 0.5103(6) -0.0430(3) 0.2373(7) 0.095(9) Uani 1 1 d D U . . .
N201_1 N 0.6991(6) -0.1184(3) 0.4111(6) 0.092(8) Uani 1 1 d DG U . . .
C202_1 C 0.7183(6) -0.1304(4) 0.4448(6) 0.110(11) Uani 1 1 d DG U . . .
H202_1 H 0.745031 -0.130748 0.457626 0.132 Uiso 1 1 calc R U . . .
C203_1 C 0.6904(8) -0.1418(3) 0.4560(5) 0.125(12) Uani 1 1 d DG U . . .
H203_1 H 0.695250 -0.151033 0.477611 0.150 Uiso 1 1 calc R U . . .
N204_1 N 0.6540(6) -0.1368(3) 0.4292(6) 0.124(10) Uani 1 1 d DG U . . .
C205_1 C 0.6593(5) -0.1224(3) 0.4014(5) 0.095(10) Uani 1 1 d DG U . . .
C206_1 C 0.6173(8) -0.1439(5) 0.4273(10) 0.165(18) Uani 1 1 d D U . . .
H20A_1 H 0.619501 -0.153672 0.448859 0.248 Uiso 1 1 calc R U . . .
H20B_1 H 0.601746 -0.131095 0.428549 0.248 Uiso 1 1 calc R U . . .
H20C_1 H 0.605280 -0.151763 0.403367 0.248 Uiso 1 1 calc R U . . .
C207_1 C 0.6337(7) -0.1129(4) 0.3701(6) 0.112(12) Uani 1 1 d D U . . .
H207_1 H 0.607107 -0.115018 0.364394 0.135 Uiso 1 1 calc R U . . .
N208_1 N 0.6461(6) -0.1012(4) 0.3489(6) 0.095(9) Uani 1 1 d D U . . .
C209_1 C 0.6193(6) -0.0883(3) 0.3193(5) 0.099(10) Uani 1 1 d DG U . . .
C210_1 C 0.5893(6) -0.0775(3) 0.3262(5) 0.088(10) Uani 1 1 d DG U . . .
H210_1 H 0.586084 -0.078835 0.350329 0.106 Uiso 1 1 calc R U . . .
C211_1 C 0.5640(5) -0.0649(3) 0.2977(6) 0.082(9) Uani 1 1 d DG U . . .
H211_1 H 0.543461 -0.057584 0.302391 0.099 Uiso 1 1 calc R U . . .
C212_1 C 0.5687(5) -0.0630(3) 0.2623(5) 0.083(9) Uani 1 1 d DG U . . .
C213_1 C 0.5987(6) -0.0737(3) 0.2554(5) 0.084(9) Uani 1 1 d DG U . . .
H213_1 H 0.601924 -0.072422 0.231271 0.101 Uiso 1 1 calc R U . . .
C214_1 C 0.6240(5) -0.0863(3) 0.2839(6) 0.099(10) Uani 1 1 d DG U . . .
H214_1 H 0.644547 -0.093673 0.279209 0.118 Uiso 1 1 calc R U . . .
C215_1 C 0.5419(6) -0.0504(3) 0.2316(6) 0.089(9) Uani 1 1 d D U . . .
N216_1 N 0.5513(7) -0.0472(3) 0.2002(6) 0.090(8) Uani 1 1 d D U . . .
N221_1 N 0.5846(7) -0.0174(4) -0.0227(7) 0.149(11) Uani 1 1 d DG U . . .
C222_1 C 0.5980(9) -0.0211(5) -0.0537(7) 0.153(14) Uani 1 1 d DG U . . .
H222_1 H 0.600891 -0.010291 -0.070838 0.183 Uiso 1 1 calc R U . . .
C223_1 C 0.6061(8) -0.0439(5) -0.0545(7) 0.161(14) Uani 1 1 d DG U . . .
H223_1 H 0.615521 -0.050924 -0.072367 0.193 Uiso 1 1 calc R U . . .
N224_1 N 0.5979(6) -0.0542(4) -0.0240(6) 0.155(11) Uani 1 1 d DG U . . .
C225_1 C 0.5845(6) -0.0379(4) -0.0043(5) 0.149(12) Uani 1 1 d DG U . . .
C226_1 C 0.6013(11) -0.0765(4) -0.0132(11) 0.192(19) Uani 1 1 d D U . . .
H22A_1 H 0.593253 -0.078393 0.009105 0.288 Uiso 1 1 calc R U . . .
H22B_1 H 0.585032 -0.085424 -0.034339 0.288 Uiso 1 1 calc R U . . .
H22C_1 H 0.627877 -0.081126 -0.006933 0.288 Uiso 1 1 calc R U . . .
C227_1 C 0.5730(10) -0.0392(4) 0.0266(8) 0.146(14) Uani 1 1 d D U . . .
H227_1 H 0.574794 -0.052630 0.040008 0.175 Uiso 1 1 calc R U . . .
N228_1 N 0.5597(8) -0.0221(4) 0.0373(6) 0.099(9) Uani 1 1 d D U . . .
C229_1 C 0.5514(6) -0.0245(3) 0.0725(5) 0.093(10) Uani 1 1 d DG U . . .
C230_1 C 0.5789(5) -0.0332(4) 0.1046(6) 0.096(10) Uani 1 1 d DG U . . .
H230_1 H 0.603407 -0.036840 0.103715 0.115 Uiso 1 1 calc R U . . .
C231_1 C 0.5705(6) -0.0366(3) 0.1378(5) 0.093(10) Uani 1 1 d DG U . . .
H231_1 H 0.589248 -0.042622 0.159654 0.111 Uiso 1 1 calc R U . . .
C232_1 C 0.5346(6) -0.0313(3) 0.1390(5) 0.085(9) Uani 1 1 d DG U . . .
C233_1 C 0.5071(5) -0.0226(3) 0.1070(6) 0.089(10) Uani 1 1 d DG U . . .
H233_1 H 0.482565 -0.018938 0.107839 0.107 Uiso 1 1 calc R U . . .
C234_1 C 0.5155(6) -0.0191(3) 0.0738(5) 0.087(9) Uani 1 1 d DG U . . .
H234_1 H 0.496724 -0.013155 0.051900 0.105 Uiso 1 1 calc R U . . .
C235_1 C 0.5260(7) -0.0355(3) 0.1736(6) 0.084(9) Uani 1 1 d D U . . .
N236_1 N 0.4935(7) -0.0273(3) 0.1756(7) 0.083(8) Uani 1 1 d D U . . .
Fe1_2 Fe 0.2534(2) -0.13039(9) 0.8488(2) 0.106(2) Uani 1 1 d . . . . .
Fe2_2 Fe 0.1465(2) 0.02417(10) 0.52925(19) 0.106(2) Uani 1 1 d . . . . .
Fe3_2 Fe 0.2773(2) 0.10624(10) 0.9210(2) 0.109(2) Uani 1 1 d . . . . .
Fe4_2 Fe -0.09307(18) -0.00007(9) 0.76640(19) 0.087(2) Uani 1 1 d . . . . .
N1_2 N 0.2596(7) -0.1556(3) 0.8136(6) 0.104(9) Uani 1 1 d DG U . . .
C2_2 C 0.2587(8) -0.1789(3) 0.8115(7) 0.115(12) Uani 1 1 d DG U . . .
H2_2 H 0.250299 -0.188562 0.827146 0.138 Uiso 1 1 calc R U . . .
C3_2 C 0.2725(8) -0.1853(3) 0.7818(8) 0.121(12) Uani 1 1 d DG U . . .
H3_2 H 0.275035 -0.199991 0.774196 0.145 Uiso 1 1 calc R U . . .
N4_2 N 0.2820(6) -0.1660(3) 0.7657(6) 0.122(10) Uani 1 1 d DG U . . .
C5_2 C 0.2740(5) -0.1476(2) 0.7853(6) 0.110(11) Uani 1 1 d DG U . . .
C6_2 C 0.2967(10) -0.1634(6) 0.7358(9) 0.172(19) Uani 1 1 d D U . . .
H6A_2 H 0.299949 -0.147726 0.731723 0.258 Uiso 1 1 calc R U . . .
H6B_2 H 0.321378 -0.170850 0.742319 0.258 Uiso 1 1 calc R U . . .
H6C_2 H 0.278913 -0.169826 0.712414 0.258 Uiso 1 1 calc R U . . .
C7_2 C 0.2781(9) -0.1257(3) 0.7805(8) 0.109(11) Uani 1 1 d D U . . .
H7_2 H 0.287597 -0.120318 0.761453 0.131 Uiso 1 1 calc R U . . .
N8_2 N 0.2689(9) -0.1128(3) 0.8025(7) 0.100(9) Uani 1 1 d D U . . .
C9_2 C 0.2688(6) -0.0896(2) 0.7948(6) 0.084(10) Uani 1 1 d DG U . . .
C10_2 C 0.2587(6) -0.0821(3) 0.7575(5) 0.085(9) Uani 1 1 d DG U . . .
H10_2 H 0.254661 -0.092312 0.737183 0.102 Uiso 1 1 calc R U . . .
C11_2 C 0.2545(6) -0.0597(3) 0.7498(5) 0.084(10) Uani 1 1 d DG U . . .
H11_2 H 0.247601 -0.054626 0.724265 0.101 Uiso 1 1 calc R U . . .
C12_2 C 0.2604(5) -0.0448(2) 0.7795(6) 0.078(9) Uani 1 1 d DG U . . .
C13_2 C 0.2704(6) -0.0523(3) 0.8168(5) 0.087(10) Uani 1 1 d DG U . . .
H13_2 H 0.274459 -0.042071 0.837140 0.104 Uiso 1 1 calc R U . . .
C14_2 C 0.2746(6) -0.0747(3) 0.8245(5) 0.089(10) Uani 1 1 d DG U . . .
H14_2 H 0.281519 -0.079756 0.850059 0.107 Uiso 1 1 calc R U . . .
C15_2 C 0.2580(4) -0.0213(3) 0.7721(7) 0.081(9) Uani 1 1 d D U . . .
N16_2 N 0.2456(4) -0.0149(4) 0.7354(7) 0.088(8) Uani 1 1 d D U . . .
N21_2 N 0.1592(6) 0.0552(3) 0.5097(6) 0.107(9) Uani 1 1 d DG U . . .
C22_2 C 0.1487(7) 0.0676(4) 0.4754(5) 0.120(12) Uani 1 1 d DG U . . .
H22_2 H 0.128069 0.064467 0.452809 0.144 Uiso 1 1 calc R U . . .
C23_2 C 0.1746(8) 0.0854(4) 0.4809(6) 0.138(13) Uani 1 1 d DG U . . .
H23_2 H 0.174291 0.096340 0.462538 0.165 Uiso 1 1 calc R U . . .
N24_2 N 0.2010(6) 0.0841(3) 0.5186(6) 0.132(11) Uani 1 1 d DG U . . .
C25_2 C 0.1915(6) 0.0654(3) 0.5364(5) 0.117(11) Uani 1 1 d DG U . . .
C26_2 C 0.2319(9) 0.0977(5) 0.5376(10) 0.177(19) Uani 1 1 d D U . . .
H26A_2 H 0.233777 0.109615 0.520541 0.266 Uiso 1 1 calc R U . . .
H26B_2 H 0.228100 0.103980 0.560280 0.266 Uiso 1 1 calc R U . . .
H26C_2 H 0.255548 0.089100 0.545238 0.266 Uiso 1 1 calc R U . . .
C27_2 C 0.2081(8) 0.0572(4) 0.5722(6) 0.114(12) Uani 1 1 d D U . . .
H27_2 H 0.227970 0.064917 0.590766 0.137 Uiso 1 1 calc R U . . .
N28_2 N 0.1962(8) 0.0390(4) 0.5797(5) 0.106(9) Uani 1 1 d D U . . .
C29_2 C 0.2095(6) 0.0313(3) 0.6185(5) 0.094(10) Uani 1 1 d DG U . . .
C30_2 C 0.2092(6) 0.0089(3) 0.6257(5) 0.090(10) Uani 1 1 d DG U . . .
H30_2 H 0.201466 -0.001238 0.605041 0.108 Uiso 1 1 calc R U . . .
C31_2 C 0.2202(6) 0.0012(3) 0.6630(6) 0.096(10) Uani 1 1 d DG U . . .
H31_2 H 0.220030 -0.014084 0.667864 0.115 Uiso 1 1 calc R U . . .
C32_2 C 0.2316(5) 0.0160(3) 0.6932(5) 0.082(9) Uani 1 1 d DG U . . .
C33_2 C 0.2319(6) 0.0384(3) 0.6861(5) 0.101(10) Uani 1 1 d DG U . . .
H33_2 H 0.239648 0.048512 0.706693 0.122 Uiso 1 1 calc R U . . .
C34_2 C 0.2209(7) 0.0460(3) 0.6487(6) 0.103(10) Uani 1 1 d DG U . . .
H34_2 H 0.221084 0.061358 0.643869 0.124 Uiso 1 1 calc R U . . .
C35_2 C 0.2446(5) 0.0077(4) 0.7320(6) 0.085(9) Uani 1 1 d D U . . .
N36_2 N 0.2545(5) 0.0223(4) 0.7606(7) 0.084(8) Uani 1 1 d D U . . .
N41_2 N 0.3137(6) 0.1018(4) 0.9764(6) 0.127(10) Uani 1 1 d DG U . . .
C42_2 C 0.3255(8) 0.1126(4) 1.0123(7) 0.140(14) Uani 1 1 d DG U . . .
H42_2 H 0.313700 0.125067 1.018818 0.168 Uiso 1 1 calc R U . . .
C43_2 C 0.3582(8) 0.1015(4) 1.0366(5) 0.143(13) Uani 1 1 d DG U . . .
H43_2 H 0.371993 0.105203 1.062327 0.172 Uiso 1 1 calc R U . . .
N44_2 N 0.3665(6) 0.0838(4) 1.0158(6) 0.138(11) Uani 1 1 d DG U . . .
C45_2 C 0.3390(6) 0.0840(3) 0.9786(5) 0.129(12) Uani 1 1 d DG U . . .
C46_2 C 0.3956(9) 0.0679(5) 1.0267(10) 0.19(2) Uani 1 1 d D U . . .
H46A_2 H 0.411664 0.070382 1.053188 0.279 Uiso 1 1 calc R U . . .
H46B_2 H 0.384212 0.053190 1.024250 0.279 Uiso 1 1 calc R U . . .
H46C_2 H 0.411171 0.068972 1.010105 0.279 Uiso 1 1 calc R U . . .
C47_2 C 0.3344(8) 0.0706(4) 0.9480(6) 0.126(12) Uani 1 1 d D U . . .
H47_2 H 0.351584 0.058837 0.949211 0.151 Uiso 1 1 calc R U . . .
N48_2 N 0.3066(8) 0.0742(4) 0.9180(6) 0.112(10) Uani 1 1 d D U . . .
C49_2 C 0.2988(6) 0.0589(3) 0.8869(5) 0.086(10) Uani 1 1 d DG U . . .
C50_2 C 0.3029(6) 0.0365(3) 0.8943(5) 0.095(10) Uani 1 1 d DG U . . .
H50_2 H 0.313066 0.031379 0.919791 0.114 Uiso 1 1 calc R U . . .
C51_2 C 0.2921(6) 0.0216(2) 0.8643(6) 0.083(9) Uani 1 1 d DG U . . .
H51_2 H 0.294904 0.006267 0.869286 0.099 Uiso 1 1 calc R U . . .
C52_2 C 0.2772(5) 0.0291(3) 0.8269(5) 0.075(9) Uani 1 1 d DG U . . .
C53_2 C 0.2731(6) 0.0515(3) 0.8196(5) 0.083(9) Uani 1 1 d DG U . . .
H53_2 H 0.262941 0.056649 0.794056 0.100 Uiso 1 1 calc R U . . .
C54_2 C 0.2839(6) 0.0664(2) 0.8496(6) 0.092(10) Uani 1 1 d DG U . . .
H54_2 H 0.281103 0.081761 0.844560 0.110 Uiso 1 1 calc R U . . .
C55_2 C 0.2661(5) 0.0140(4) 0.7949(6) 0.086(9) Uani 1 1 d D U . . .
N56_2 N 0.2687(5) -0.0075(4) 0.8033(8) 0.089(8) Uani 1 1 d D U . . .
N61_2 N 0.0938(6) 0.0200(4) 0.4809(6) 0.134(10) Uani 1 1 d DG U . . .
C62_2 C 0.0817(8) 0.0156(4) 0.4412(7) 0.128(12) Uani 1 1 d DG U . . .
H62_2 H 0.096449 0.008760 0.427858 0.154 Uiso 1 1 calc R U . . .
C63_2 C 0.0435(8) 0.0231(4) 0.4248(5) 0.137(12) Uani 1 1 d DG U . . .
H63_2 H 0.028342 0.022267 0.398624 0.165 Uiso 1 1 calc R U . . .
N64_2 N 0.0321(6) 0.0322(3) 0.4544(6) 0.156(11) Uani 1 1 d DG U . . .
C65_2 C 0.0632(6) 0.0303(3) 0.4891(5) 0.133(11) Uani 1 1 d DG U . . .
C66_2 C -0.0027(8) 0.0418(6) 0.4529(11) 0.185(19) Uani 1 1 d D U . . .
H66A_2 H -0.001326 0.046465 0.478484 0.277 Uiso 1 1 calc R U . . .
H66B_2 H -0.007895 0.054561 0.435857 0.277 Uiso 1 1 calc R U . . .
H66C_2 H -0.023266 0.031004 0.443165 0.277 Uiso 1 1 calc R U . . .
C67_2 C 0.0668(8) 0.0364(5) 0.5253(6) 0.126(12) Uani 1 1 d D U . . .
H67_2 H 0.045462 0.041524 0.531438 0.151 Uiso 1 1 calc R U . . .
N68_2 N 0.0993(7) 0.0351(4) 0.5505(5) 0.102(9) Uani 1 1 d D U . . .
C69_2 C 0.1008(6) 0.0406(3) 0.5887(5) 0.105(10) Uani 1 1 d DG U . . .
C70_2 C 0.0751(6) 0.0306(3) 0.6035(6) 0.097(10) Uani 1 1 d DG U . . .
H70_2 H 0.057971 0.019764 0.588983 0.117 Uiso 1 1 calc R U . . .
C71_2 C 0.0746(6) 0.0365(3) 0.6393(6) 0.103(11) Uani 1 1 d DG U . . .
H71_2 H 0.057031 0.029673 0.649388 0.123 Uiso 1 1 calc R U . . .
C72_2 C 0.0997(6) 0.0523(3) 0.6605(5) 0.083(9) Uani 1 1 d DG U . . .
C73_2 C 0.1254(6) 0.0623(3) 0.6458(5) 0.098(10) Uani 1 1 d DG U . . .
H73_2 H 0.142525 0.073154 0.660269 0.117 Uiso 1 1 calc R U . . .
C74_2 C 0.1259(6) 0.0564(3) 0.6099(6) 0.093(10) Uani 1 1 d DG U . . .
H74_2 H 0.143466 0.063246 0.599865 0.112 Uiso 1 1 calc R U . . .
C75_2 C 0.0979(7) 0.0589(3) 0.6972(5) 0.093(10) Uani 1 1 d D U . . .
N76_2 N 0.1263(7) 0.0711(3) 0.7199(6) 0.095(9) Uani 1 1 d D U . . .
N81_2 N 0.3207(6) 0.1260(3) 0.9101(6) 0.109(9) Uani 1 1 d DG U . . .
C82_2 C 0.3585(6) 0.1337(4) 0.9282(6) 0.140(13) Uani 1 1 d DG U . . .
H82_2 H 0.374341 0.130504 0.953530 0.168 Uiso 1 1 calc R U . . .
C83_2 C 0.3686(5) 0.1470(4) 0.9016(8) 0.136(12) Uani 1 1 d DG U . . .
H83_2 H 0.392264 0.154219 0.906108 0.163 Uiso 1 1 calc R U . . .
N84_2 N 0.3370(6) 0.1475(3) 0.8672(6) 0.118(10) Uani 1 1 d DG U . . .
C85_2 C 0.3074(5) 0.1345(3) 0.8725(6) 0.113(11) Uani 1 1 d DG U . . .
C86_2 C 0.3325(10) 0.1583(5) 0.8325(8) 0.135(15) Uani 1 1 d D U . . .
H86A_2 H 0.307067 0.155263 0.814309 0.203 Uiso 1 1 calc R U . . .
H86B_2 H 0.335607 0.174158 0.836961 0.203 Uiso 1 1 calc R U . . .
H86C_2 H 0.351875 0.152978 0.822062 0.203 Uiso 1 1 calc R U . . .
C87_2 C 0.2717(6) 0.1298(4) 0.8482(7) 0.114(12) Uani 1 1 d D U . . .
H87_2 H 0.262641 0.135634 0.823092 0.137 Uiso 1 1 calc R U . . .
N88_2 N 0.2510(6) 0.1174(4) 0.8602(6) 0.104(9) Uani 1 1 d D U . . .
C89_2 C 0.2168(5) 0.1091(3) 0.8317(6) 0.097(10) Uani 1 1 d DG U . . .
C90_2 C 0.2186(5) 0.1017(4) 0.7970(6) 0.099(10) Uani 1 1 d DG U . . .
H90_2 H 0.241518 0.103355 0.791307 0.118 Uiso 1 1 calc R U . . .
C91_2 C 0.1869(6) 0.0921(3) 0.7705(5) 0.092(10) Uani 1 1 d DG U . . .
H91_2 H 0.188075 0.087056 0.746798 0.110 Uiso 1 1 calc R U . . .
C92_2 C 0.1533(5) 0.0897(3) 0.7788(6) 0.086(9) Uani 1 1 d DG U . . .
C93_2 C 0.1515(5) 0.0970(3) 0.8135(6) 0.106(10) Uani 1 1 d DG U . . .
H93_2 H 0.128606 0.095396 0.819205 0.127 Uiso 1 1 calc R U . . .
C94_2 C 0.1833(6) 0.1067(4) 0.8400(5) 0.105(10) Uani 1 1 d DG U . . .
H94_2 H 0.182050 0.111695 0.863715 0.126 Uiso 1 1 calc R U . . .
C95_2 C 0.1224(6) 0.0765(3) 0.7535(6) 0.089(9) Uani 1 1 d D U . . .
N96_2 N 0.0937(6) 0.0712(3) 0.7661(8) 0.101(9) Uani 1 1 d D U . . .
N101_2 N -0.1138(6) 0.0141(3) 0.8066(6) 0.093(9) Uani 1 1 d DG U . . .
C102_2 C -0.1423(6) 0.0105(3) 0.8235(7) 0.106(11) Uani 1 1 d DG U . . .
H102_2 H -0.155972 -0.002822 0.822682 0.127 Uiso 1 1 calc R U . . .
C103_2 C -0.1468(6) 0.0302(4) 0.8418(7) 0.117(12) Uani 1 1 d DG U . . .
H103_2 H -0.164039 0.032468 0.855435 0.141 Uiso 1 1 calc R U . . .
N104_2 N -0.1211(6) 0.0460(3) 0.8362(6) 0.112(10) Uani 1 1 d DG U . . .
C105_2 C -0.1008(5) 0.0360(3) 0.8145(5) 0.098(10) Uani 1 1 d DG U . . .
C106_2 C -0.1151(10) 0.0679(4) 0.8488(10) 0.159(17) Uani 1 1 d D U . . .
H10A_2 H -0.131976 0.071450 0.863239 0.238 Uiso 1 1 calc R U . . .
H10B_2 H -0.088469 0.069717 0.865151 0.238 Uiso 1 1 calc R U . . .
H10C_2 H -0.120548 0.077661 0.826715 0.238 Uiso 1 1 calc R U . . .
C107_2 C -0.0731(7) 0.0440(4) 0.8015(8) 0.097(11) Uani 1 1 d D U . . .
H107_2 H -0.062580 0.058134 0.809061 0.117 Uiso 1 1 calc R U . . .
N108_2 N -0.0617(7) 0.0324(4) 0.7795(8) 0.101(10) Uani 1 1 d D U . . .
C109_2 C -0.0285(5) 0.0392(3) 0.7707(6) 0.100(10) Uani 1 1 d DG U . . .
C110_2 C -0.0277(5) 0.0356(3) 0.7341(6) 0.097(10) Uani 1 1 d DG U . . .
H110_2 H -0.048786 0.028645 0.715572 0.117 Uiso 1 1 calc R U . . .
C111_2 C 0.0038(6) 0.0420(4) 0.7245(5) 0.093(10) Uani 1 1 d DG U . . .
H111_2 H 0.004253 0.039431 0.699527 0.112 Uiso 1 1 calc R U . . .
C112_2 C 0.0346(5) 0.0521(3) 0.7516(6) 0.096(10) Uani 1 1 d DG U . . .
C113_2 C 0.0338(5) 0.0558(3) 0.7882(6) 0.094(10) Uani 1 1 d DG U . . .
H113_2 H 0.054883 0.062661 0.806696 0.113 Uiso 1 1 calc R U . . .
C114_2 C 0.0023(6) 0.0493(4) 0.7977(5) 0.096(10) Uani 1 1 d DG U . . .
H114_2 H 0.001845 0.051875 0.822741 0.115 Uiso 1 1 calc R U . . .
C115_2 C 0.0670(6) 0.0588(3) 0.7404(7) 0.100(10) Uani 1 1 d D U . . .
N116_2 N 0.0666(7) 0.0520(3) 0.7058(7) 0.096(9) Uani 1 1 d D U . . .
N121_2 N 0.2484(7) 0.1326(3) 0.9411(7) 0.129(11) Uani 1 1 d DG U . . .
C122_2 C 0.2542(8) 0.1545(3) 0.9551(8) 0.144(13) Uani 1 1 d DG U . . .
H122_2 H 0.272670 0.164506 0.952350 0.173 Uiso 1 1 calc R U . . .
C123_2 C 0.2276(9) 0.1588(3) 0.9741(8) 0.161(14) Uani 1 1 d DG U . . .
H123_2 H 0.225081 0.172181 0.986158 0.193 Uiso 1 1 calc R U . . .
N124_2 N 0.2053(7) 0.1396(4) 0.9717(6) 0.163(12) Uani 1 1 d DG U . . .
C125_2 C 0.2181(6) 0.1234(3) 0.9514(6) 0.141(12) Uani 1 1 d DG U . . .
C126_2 C 0.1753(10) 0.1354(6) 0.9859(11) 0.20(2) Uani 1 1 d D U . . .
H12A_2 H 0.170611 0.148468 0.999008 0.300 Uiso 1 1 calc R U . . .
H12B_2 H 0.152096 0.131689 0.964669 0.300 Uiso 1 1 calc R U . . .
H12C_2 H 0.182186 0.123037 1.003819 0.300 Uiso 1 1 calc R U . . .
C127_2 C 0.2064(9) 0.1024(3) 0.9414(9) 0.125(12) Uani 1 1 d D U . . .
H127_2 H 0.183900 0.096898 0.944945 0.150 Uiso 1 1 calc R U . . .
N128_2 N 0.2260(7) 0.0902(3) 0.9274(8) 0.093(9) Uani 1 1 d D U . . .
C129_2 C 0.2108(6) 0.0684(2) 0.9160(6) 0.087(10) Uani 1 1 d DG U . . .
C130_2 C 0.2336(5) 0.0500(3) 0.9290(6) 0.086(10) Uani 1 1 d DG U . . .
H130_2 H 0.259650 0.051702 0.944092 0.104 Uiso 1 1 calc R U . . .
C131_2 C 0.2182(6) 0.0291(3) 0.9199(6) 0.100(10) Uani 1 1 d DG U . . .
H131_2 H 0.233765 0.016498 0.928741 0.120 Uiso 1 1 calc R U . . .
C132_2 C 0.1800(6) 0.0266(2) 0.8978(5) 0.087(9) Uani 1 1 d DG U . . .
C133_2 C 0.1573(5) 0.0450(3) 0.8849(6) 0.090(10) Uani 1 1 d DG U . . .
H133_2 H 0.131201 0.043275 0.869762 0.108 Uiso 1 1 calc R U . . .
C134_2 C 0.1727(6) 0.0659(3) 0.8940(6) 0.090(10) Uani 1 1 d DG U . . .
H134_2 H 0.157085 0.078480 0.885113 0.108 Uiso 1 1 calc R U . . .
C135_2 C 0.1627(7) 0.0050(3) 0.8896(4) 0.092(10) Uani 1 1 d D U . . .
N136_2 N 0.1862(8) -0.0123(4) 0.8967(4) 0.090(8) Uani 1 1 d D U . . .
N141_2 N 0.3120(6) -0.1341(3) 0.8832(6) 0.114(10) Uani 1 1 d DG U . . .
C142_2 C 0.3442(7) -0.1474(3) 0.8858(7) 0.125(13) Uani 1 1 d DG U . . .
H142_2 H 0.345569 -0.158194 0.867863 0.150 Uiso 1 1 calc R U . . .
C143_2 C 0.3740(6) -0.1416(4) 0.9198(8) 0.122(12) Uani 1 1 d DG U . . .
H143_2 H 0.398839 -0.147868 0.928626 0.146 Uiso 1 1 calc R U . . .
N144_2 N 0.3603(5) -0.1248(3) 0.9382(6) 0.108(9) Uani 1 1 d DG U . . .
C145_2 C 0.3220(5) -0.1202(3) 0.9156(6) 0.104(11) Uani 1 1 d DG U . . .
C146_2 C 0.3790(8) -0.1137(5) 0.9726(7) 0.122(14) Uani 1 1 d D U . . .
H14A_2 H 0.361633 -0.102965 0.977564 0.183 Uiso 1 1 calc R U . . .
H14B_2 H 0.386952 -0.124354 0.993582 0.183 Uiso 1 1 calc R U . . .
H14C_2 H 0.401516 -0.106126 0.970686 0.183 Uiso 1 1 calc R U . . .
C147_2 C 0.2962(7) -0.1056(4) 0.9204(8) 0.114(12) Uani 1 1 d D U . . .
H147_2 H 0.303248 -0.095656 0.941301 0.137 Uiso 1 1 calc R U . . .
N148_2 N 0.2628(6) -0.1055(3) 0.8967(8) 0.097(9) Uani 1 1 d D U . . .
C149_2 C 0.2394(6) -0.0868(3) 0.8986(7) 0.102(10) Uani 1 1 d DG U . . .
C150_2 C 0.2549(5) -0.0659(3) 0.9053(7) 0.106(11) Uani 1 1 d DG U . . .
H150_2 H 0.281584 -0.063840 0.910940 0.127 Uiso 1 1 calc R U . . .
C151_2 C 0.2316(6) -0.0478(3) 0.9038(6) 0.092(10) Uani 1 1 d DG U . . .
H151_2 H 0.242231 -0.033473 0.908365 0.110 Uiso 1 1 calc R U . . .
C152_2 C 0.1926(6) -0.0508(3) 0.8956(6) 0.088(9) Uani 1 1 d DG U . . .
C153_2 C 0.1770(5) -0.0717(3) 0.8889(7) 0.103(10) Uani 1 1 d DG U . . .
H153_2 H 0.150364 -0.073742 0.883284 0.124 Uiso 1 1 calc R U . . .
C154_2 C 0.2004(6) -0.0898(3) 0.8904(7) 0.109(11) Uani 1 1 d DG U . . .
H154_2 H 0.189717 -0.104109 0.885860 0.131 Uiso 1 1 calc R U . . .
C155_2 C 0.1677(7) -0.0316(4) 0.8882(5) 0.092(9) Uani 1 1 d D U . . .
N156_2 N 0.1300(7) -0.0349(4) 0.8742(5) 0.098(9) Uani 1 1 d D U . . .
N161_2 N -0.1266(6) -0.0273(3) 0.7675(6) 0.107(9) Uani 1 1 d DG U . . .
C162_2 C -0.1652(5) -0.0344(4) 0.7531(6) 0.110(11) Uani 1 1 d DG U . . .
H162_2 H -0.185212 -0.027403 0.733451 0.132 Uiso 1 1 calc R U . . .
C163_2 C -0.1687(5) -0.0537(4) 0.7731(7) 0.125(12) Uani 1 1 d DG U . . .
H163_2 H -0.191355 -0.061852 0.769315 0.150 Uiso 1 1 calc R U . . .
N164_2 N -0.1322(6) -0.0585(3) 0.8000(6) 0.116(10) Uani 1 1 d DG U . . .
C165_2 C -0.1062(5) -0.0423(3) 0.7964(5) 0.096(10) Uani 1 1 d DG U . . .
C166_2 C -0.1215(10) -0.0760(4) 0.8262(9) 0.166(18) Uani 1 1 d D U . . .
H16A_2 H -0.143798 -0.085209 0.823723 0.249 Uiso 1 1 calc R U . . .
H16B_2 H -0.101835 -0.084860 0.820897 0.249 Uiso 1 1 calc R U . . .
H16C_2 H -0.111391 -0.070121 0.852134 0.249 Uiso 1 1 calc R U . . .
C167_2 C -0.0682(6) -0.0393(4) 0.8151(7) 0.106(11) Uani 1 1 d D U . . .
H167_2 H -0.053996 -0.049631 0.833451 0.127 Uiso 1 1 calc R U . . .
N168_2 N -0.0523(5) -0.0225(4) 0.8076(8) 0.096(9) Uani 1 1 d D U . . .
C169_2 C -0.0113(4) -0.0210(3) 0.8233(6) 0.091(10) Uani 1 1 d DG U . . .
C170_2 C 0.0111(6) -0.0394(3) 0.8245(6) 0.096(10) Uani 1 1 d DG U . . .
H170_2 H -0.000692 -0.053121 0.815322 0.115 Uiso 1 1 calc R U . . .
C171_2 C 0.0506(5) -0.0379(3) 0.8391(6) 0.092(10) Uani 1 1 d DG U . . .
H171_2 H 0.065841 -0.050478 0.839938 0.110 Uiso 1 1 calc R U . . .
C172_2 C 0.0678(4) -0.0178(3) 0.8525(5) 0.086(9) Uani 1 1 d DG U . . .
C173_2 C 0.0454(6) 0.0007(3) 0.8513(6) 0.104(10) Uani 1 1 d DG U . . .
H173_2 H 0.057164 0.014359 0.860513 0.124 Uiso 1 1 calc R U . . .
C174_2 C 0.0059(5) -0.0009(3) 0.8367(6) 0.093(10) Uani 1 1 d DG U . . .
H174_2 H -0.009369 0.011717 0.835897 0.112 Uiso 1 1 calc R U . . .
C175_2 C 0.1092(5) -0.0162(4) 0.8681(5) 0.088(9) Uani 1 1 d D U . . .
N176_2 N 0.1234(7) 0.0043(4) 0.8751(5) 0.085(8) Uani 1 1 d D U . . .
N181_2 N -0.1412(6) 0.0122(3) 0.7247(5) 0.091(8) Uani 1 1 d DG U . . .
C182_2 C -0.1757(7) 0.0234(3) 0.7216(7) 0.108(11) Uani 1 1 d DG U . . .
H182_2 H -0.182293 0.029372 0.742106 0.130 Uiso 1 1 calc R U . . .
C183_2 C -0.1985(5) 0.0239(3) 0.6825(7) 0.119(12) Uani 1 1 d DG U . . .
H183_2 H -0.223103 0.030396 0.672188 0.142 Uiso 1 1 calc R U . . .
N184_2 N -0.1782(5) 0.0132(3) 0.6614(6) 0.107(9) Uani 1 1 d DG U . . .
C185_2 C -0.1428(5) 0.0059(3) 0.6875(6) 0.095(10) Uani 1 1 d DG U . . .
C186_2 C -0.1888(9) 0.0095(5) 0.6220(6) 0.144(15) Uani 1 1 d D U . . .
H18A_2 H -0.214184 0.015781 0.609253 0.217 Uiso 1 1 calc R U . . .
H18B_2 H -0.170306 0.016516 0.612192 0.217 Uiso 1 1 calc R U . . .
H18C_2 H -0.189474 -0.006326 0.617064 0.217 Uiso 1 1 calc R U . . .
C187_2 C -0.1130(6) -0.0050(4) 0.6825(7) 0.097(11) Uani 1 1 d D U . . .
H187_2 H -0.113510 -0.009062 0.657684 0.117 Uiso 1 1 calc R U . . .
N188_2 N -0.0849(6) -0.0097(4) 0.7113(7) 0.091(9) Uani 1 1 d D U . . .
C189_2 C -0.0505(5) -0.0179(3) 0.7059(6) 0.084(10) Uani 1 1 d DG U . . .
C190_2 C -0.0300(6) -0.0345(3) 0.7295(6) 0.093(10) Uani 1 1 d DG U . . .
H190_2 H -0.038470 -0.040353 0.748880 0.112 Uiso 1 1 calc R U . . .
C191_2 C 0.0030(5) -0.0426(3) 0.7246(6) 0.096(10) Uani 1 1 d DG U . . .
H191_2 H 0.017090 -0.053974 0.740739 0.115 Uiso 1 1 calc R U . . .
C192_2 C 0.0155(5) -0.0340(3) 0.6962(6) 0.079(9) Uani 1 1 d DG U . . .
C193_2 C -0.0051(6) -0.0174(3) 0.6727(6) 0.080(10) Uani 1 1 d DG U . . .
H193_2 H 0.003392 -0.011540 0.653244 0.096 Uiso 1 1 calc R U . . .
C194_2 C -0.0381(6) -0.0093(3) 0.6775(6) 0.095(11) Uani 1 1 d DG U . . .
H194_2 H -0.052167 0.002081 0.661385 0.115 Uiso 1 1 calc R U . . .
C195_2 C 0.0501(5) -0.0428(3) 0.6913(6) 0.090(10) Uani 1 1 d D U . . .
N196_2 N 0.0701(6) -0.0569(3) 0.7184(7) 0.094(9) Uani 1 1 d D U . . .
N201_2 N 0.2290(6) -0.1528(3) 0.8790(6) 0.116(10) Uani 1 1 d DG U . . .
C202_2 C 0.2389(7) -0.1699(4) 0.9065(6) 0.123(12) Uani 1 1 d DG U . . .
H202_2 H 0.263775 -0.173021 0.923487 0.147 Uiso 1 1 calc R U . . .
C203_2 C 0.2050(8) -0.1815(3) 0.9041(6) 0.133(12) Uani 1 1 d DG U . . .
H203_2 H 0.203313 -0.193711 0.919227 0.159 Uiso 1 1 calc R U . . .
N204_2 N 0.1742(7) -0.1715(3) 0.8751(6) 0.139(11) Uani 1 1 d DG U . . .
C205_2 C 0.1890(6) -0.1538(3) 0.8596(5) 0.117(11) Uani 1 1 d DG U . . .
C206_2 C 0.1353(7) -0.1769(5) 0.8620(10) 0.160(16) Uani 1 1 d D U . . .
H20A_2 H 0.130895 -0.189521 0.876256 0.240 Uiso 1 1 calc R U . . .
H20B_2 H 0.120437 -0.164291 0.865695 0.240 Uiso 1 1 calc R U . . .
H20C_2 H 0.127252 -0.180530 0.834788 0.240 Uiso 1 1 calc R U . . .
C207_2 C 0.1718(7) -0.1390(4) 0.8315(7) 0.120(12) Uani 1 1 d D U . . .
H207_2 H 0.144973 -0.139471 0.819035 0.144 Uiso 1 1 calc R U . . .
N208_2 N 0.1918(6) -0.1247(4) 0.8221(6) 0.093(9) Uani 1 1 d D U . . .
C209_2 C 0.1700(6) -0.1090(3) 0.7937(5) 0.097(10) Uani 1 1 d DG U . . .
C210_2 C 0.1416(6) -0.0968(3) 0.8010(5) 0.089(10) Uani 1 1 d DG U . . .
H210_2 H 0.137325 -0.098478 0.824613 0.107 Uiso 1 1 calc R U . . .
C211_2 C 0.1196(6) -0.0822(3) 0.7739(6) 0.096(10) Uani 1 1 d DG U . . .
H211_2 H 0.100183 -0.073866 0.778872 0.115 Uiso 1 1 calc R U . . .
C212_2 C 0.1259(6) -0.0797(3) 0.7393(5) 0.090(10) Uani 1 1 d DG U . . .
C213_2 C 0.1543(6) -0.0919(3) 0.7320(5) 0.099(10) Uani 1 1 d DG U . . .
H213_2 H 0.158599 -0.090192 0.708395 0.119 Uiso 1 1 calc R U . . .
C214_2 C 0.1763(6) -0.1065(3) 0.7592(6) 0.086(10) Uani 1 1 d DG U . . .
H214_2 H 0.195743 -0.114804 0.754135 0.103 Uiso 1 1 calc R U . . .
C215_2 C 0.1024(6) -0.0644(3) 0.7115(6) 0.088(9) Uani 1 1 d D U . . .
N216_2 N 0.1133(8) -0.0586(3) 0.6820(6) 0.095(9) Uani 1 1 d D U . . .
N221_2 N 0.1858(7) 0.0084(3) 0.5052(7) 0.133(11) Uani 1 1 d DG U . . .
C222_2 C 0.2115(8) 0.0138(3) 0.4857(8) 0.136(13) Uani 1 1 d DG U . . .
H222_2 H 0.216648 0.028123 0.478674 0.163 Uiso 1 1 calc R U . . .
C223_2 C 0.2281(7) -0.0060(4) 0.4786(7) 0.133(12) Uani 1 1 d DG U . . .
H223_2 H 0.246334 -0.007262 0.465925 0.159 Uiso 1 1 calc R U . . .
N224_2 N 0.2127(6) -0.0237(3) 0.4937(6) 0.118(10) Uani 1 1 d DG U . . .
C225_2 C 0.1865(6) -0.0148(3) 0.5102(5) 0.121(11) Uani 1 1 d DG U . . .
C226_2 C 0.2212(10) -0.0461(4) 0.4929(9) 0.133(15) Uani 1 1 d D U . . .
H22A_2 H 0.206355 -0.054581 0.505404 0.199 Uiso 1 1 calc R U . . .
H22B_2 H 0.214686 -0.050974 0.466350 0.199 Uiso 1 1 calc R U . . .
H22C_2 H 0.248465 -0.048470 0.506291 0.199 Uiso 1 1 calc R U . . .
C227_2 C 0.1642(8) -0.0244(4) 0.5284(9) 0.119(13) Uani 1 1 d D U . . .
H227_2 H 0.163169 -0.039950 0.530259 0.143 Uiso 1 1 calc R U . . .
N228_2 N 0.1450(8) -0.0122(4) 0.5426(8) 0.107(10) Uani 1 1 d D U . . .
C229_2 C 0.1286(6) -0.0225(4) 0.5686(6) 0.108(11) Uani 1 1 d DG U . . .
C230_2 C 0.1512(5) -0.0361(4) 0.5972(6) 0.098(10) Uani 1 1 d DG U . . .
H230_2 H 0.175911 -0.040234 0.597511 0.118 Uiso 1 1 calc R U . . .
C231_2 C 0.1376(6) -0.0438(3) 0.6255(6) 0.088(10) Uani 1 1 d DG U . . .
H231_2 H 0.153049 -0.053085 0.645029 0.106 Uiso 1 1 calc R U . . .
C232_2 C 0.1015(6) -0.0377(3) 0.6250(5) 0.087(10) Uani 1 1 d DG U . . .
C233_2 C 0.0789(5) -0.0241(4) 0.5964(6) 0.108(11) Uani 1 1 d DG U . . .
H233_2 H 0.054152 -0.019981 0.596130 0.129 Uiso 1 1 calc R U . . .
C234_2 C 0.0924(6) -0.0165(4) 0.5682(6) 0.111(11) Uani 1 1 d DG U . . .
H234_2 H 0.077013 -0.007131 0.548611 0.133 Uiso 1 1 calc R U . . .
C235_2 C 0.0896(7) -0.0440(3) 0.6570(6) 0.089(10) Uani 1 1 d D U . . .
N236_2 N 0.0575(7) -0.0354(3) 0.6595(7) 0.092(9) Uani 1 1 d D U . . .
Fe1_3 Fe 0.9346(2) -0.38716(9) 0.1405(2) 0.105(2) Uani 1 1 d . . . . .
Fe2_3 Fe 0.8766(2) -0.28093(9) -0.22718(19) 0.107(2) Uani 1 1 d . . . . .
Fe3_3 Fe 0.9602(2) -0.14899(9) 0.11723(19) 0.090(2) Uani 1 1 d . . . . .
Fe4_3 Fe 0.59179(19) -0.25685(11) -0.0382(2) 0.107(2) Uani 1 1 d . . . . .
N1_3 N 0.9425(7) -0.4178(3) 0.1180(6) 0.116(10) Uani 1 1 d DG U . . .
C2_3 C 0.9355(7) -0.4405(3) 0.1222(7) 0.123(12) Uani 1 1 d DG U . . .
H2_3 H 0.922392 -0.446408 0.137921 0.148 Uiso 1 1 calc R U . . .
C3_3 C 0.9515(7) -0.4527(2) 0.0988(7) 0.114(11) Uani 1 1 d DG U . . .
H3_3 H 0.951007 -0.468210 0.096074 0.136 Uiso 1 1 calc R U . . .
N4_3 N 0.9684(6) -0.4376(3) 0.0801(6) 0.108(10) Uani 1 1 d DG U . . .
C5_3 C 0.9629(5) -0.4161(2) 0.0920(5) 0.099(10) Uani 1 1 d DG U . . .
C6_3 C 0.9878(9) -0.4416(5) 0.0542(8) 0.124(14) Uani 1 1 d D U . . .
H6A_3 H 0.996046 -0.427546 0.046504 0.185 Uiso 1 1 calc R U . . .
H6B_3 H 1.010186 -0.450783 0.066327 0.185 Uiso 1 1 calc R U . . .
H6C_3 H 0.970759 -0.449085 0.031634 0.185 Uiso 1 1 calc R U . . .
C7_3 C 0.9733(8) -0.3960(3) 0.0826(8) 0.098(11) Uani 1 1 d D U . . .
H7_3 H 0.986147 -0.394599 0.064515 0.118 Uiso 1 1 calc R U . . .
N8_3 N 0.9654(7) -0.3793(3) 0.0988(7) 0.080(8) Uani 1 1 d D U . . .
C9_3 C 0.9696(6) -0.3582(2) 0.0825(6) 0.085(10) Uani 1 1 d DG U . . .
C10_3 C 0.9587(6) -0.3557(3) 0.0432(5) 0.083(9) Uani 1 1 d DG U . . .
H10_3 H 0.950280 -0.368032 0.026915 0.100 Uiso 1 1 calc R U . . .
C11_3 C 0.9603(6) -0.3351(3) 0.0276(5) 0.076(9) Uani 1 1 d DG U . . .
H11_3 H 0.952834 -0.333342 0.000773 0.091 Uiso 1 1 calc R U . . .
C12_3 C 0.9727(5) -0.3170(2) 0.0514(6) 0.078(9) Uani 1 1 d DG U . . .
C13_3 C 0.9835(6) -0.3195(2) 0.0907(5) 0.088(10) Uani 1 1 d DG U . . .
H13_3 H 0.991988 -0.307187 0.106973 0.106 Uiso 1 1 calc R U . . .
C14_3 C 0.9820(6) -0.3401(3) 0.1063(5) 0.094(10) Uani 1 1 d DG U . . .
H14_3 H 0.989433 -0.341877 0.133116 0.113 Uiso 1 1 calc R U . . .
C15_3 C 0.9681(4) -0.2950(3) 0.0352(7) 0.081(9) Uani 1 1 d D U . . .
N16_3 N 0.9742(4) -0.2779(4) 0.0590(8) 0.091(8) Uani 1 1 d D U . . .
N21_3 N 0.8976(6) -0.2532(3) -0.2520(6) 0.128(10) Uani 1 1 d DG U . . .
C22_3 C 0.8959(8) -0.2443(4) -0.2877(5) 0.139(13) Uani 1 1 d DG U . . .
H22_3 H 0.878406 -0.248331 -0.311871 0.167 Uiso 1 1 calc R U . . .
C23_3 C 0.9250(8) -0.2281(4) -0.2810(6) 0.145(13) Uani 1 1 d DG U . . .
H23_3 H 0.930346 -0.219504 -0.299886 0.174 Uiso 1 1 calc R U . . .
N24_3 N 0.9447(6) -0.2271(3) -0.2411(7) 0.153(12) Uani 1 1 d DG U . . .
C25_3 C 0.9278(6) -0.2426(3) -0.2232(5) 0.135(12) Uani 1 1 d DG U . . .
C26_3 C 0.9755(9) -0.2137(5) -0.2206(11) 0.179(18) Uani 1 1 d D U . . .
H26A_3 H 0.982795 -0.204270 -0.238322 0.268 Uiso 1 1 calc R U . . .
H26B_3 H 0.968114 -0.204611 -0.202550 0.268 Uiso 1 1 calc R U . . .
H26C_3 H 0.997250 -0.223010 -0.206570 0.268 Uiso 1 1 calc R U . . .
C27_3 C 0.9359(8) -0.2481(5) -0.1857(6) 0.123(12) Uani 1 1 d D U . . .
H27_3 H 0.955319 -0.240518 -0.166392 0.148 Uiso 1 1 calc R U . . .
N28_3 N 0.9172(8) -0.2633(4) -0.1771(5) 0.097(9) Uani 1 1 d D U . . .
C29_3 C 0.9240(6) -0.2666(3) -0.1369(4) 0.086(10) Uani 1 1 d DG U . . .
C30_3 C 0.9342(6) -0.2871(3) -0.1202(5) 0.086(9) Uani 1 1 d DG U . . .
H30_3 H 0.934711 -0.299481 -0.135563 0.103 Uiso 1 1 calc R U . . .
C31_3 C 0.9437(6) -0.2895(3) -0.0810(5) 0.089(10) Uani 1 1 d DG U . . .
H31_3 H 0.950706 -0.303564 -0.069549 0.107 Uiso 1 1 calc R U . . .
C32_3 C 0.9430(5) -0.2714(3) -0.0584(4) 0.085(9) Uani 1 1 d DG U . . .
C33_3 C 0.9327(6) -0.2509(3) -0.0751(5) 0.090(10) Uani 1 1 d DG U . . .
H33_3 H 0.932207 -0.238559 -0.059731 0.107 Uiso 1 1 calc R U . . .
C34_3 C 0.9232(6) -0.2485(3) -0.1143(5) 0.090(10) Uani 1 1 d DG U . . .
H34_3 H 0.916212 -0.234476 -0.125745 0.108 Uiso 1 1 calc R U . . .
C35_3 C 0.9539(5) -0.2735(4) -0.0173(5) 0.079(9) Uani 1 1 d D U . . .
N36_3 N 0.9580(5) -0.2939(4) -0.0029(7) 0.090(8) Uani 1 1 d D U . . .
N41_3 N 0.9923(5) -0.1461(3) 0.1765(5) 0.097(9) Uani 1 1 d DG U . . .
C42_3 C 1.0005(7) -0.1306(3) 0.2066(7) 0.102(11) Uani 1 1 d DG U . . .
H42_3 H 0.987243 -0.117180 0.206204 0.123 Uiso 1 1 calc R U . . .
C43_3 C 1.0320(7) -0.1385(4) 0.2373(6) 0.120(12) Uani 1 1 d DG U . . .
H43_3 H 1.043538 -0.131365 0.261051 0.144 Uiso 1 1 calc R U . . .
N44_3 N 1.0433(5) -0.1590(3) 0.2261(5) 0.115(10) Uani 1 1 d DG U . . .
C45_3 C 1.0187(5) -0.1637(3) 0.1886(5) 0.096(10) Uani 1 1 d DG U . . .
C46_3 C 1.0729(8) -0.1732(5) 0.2465(8) 0.138(15) Uani 1 1 d D U . . .
H46A_3 H 1.086313 -0.166881 0.271704 0.207 Uiso 1 1 calc R U . . .
H46B_3 H 1.062209 -0.187481 0.249534 0.207 Uiso 1 1 calc R U . . .
H46C_3 H 1.090791 -0.174994 0.232538 0.207 Uiso 1 1 calc R U . . .
C47_3 C 1.0175(7) -0.1811(4) 0.1653(6) 0.096(11) Uani 1 1 d D U . . .
H47_3 H 1.034115 -0.193266 0.173836 0.115 Uiso 1 1 calc R U . . .
N48_3 N 0.9936(8) -0.1806(3) 0.1319(6) 0.087(9) Uani 1 1 d D U . . .
C49_3 C 0.9876(6) -0.2004(3) 0.1093(5) 0.092(10) Uani 1 1 d DG U . . .
C50_3 C 0.9864(6) -0.2207(3) 0.1260(4) 0.078(9) Uani 1 1 d DG U . . .
H50_3 H 0.989816 -0.221632 0.152420 0.093 Uiso 1 1 calc R U . . .
C51_3 C 0.9802(6) -0.2397(2) 0.1040(6) 0.071(9) Uani 1 1 d DG U . . .
H51_3 H 0.979376 -0.253596 0.115398 0.085 Uiso 1 1 calc R U . . .
C52_3 C 0.9752(5) -0.2384(3) 0.0654(5) 0.079(9) Uani 1 1 d DG U . . .
C53_3 C 0.9764(6) -0.2181(3) 0.0487(4) 0.087(10) Uani 1 1 d DG U . . .
H53_3 H 0.972965 -0.217196 0.022289 0.105 Uiso 1 1 calc R U . . .
C54_3 C 0.9826(6) -0.1991(3) 0.0707(5) 0.079(9) Uani 1 1 d DG U . . .
H54_3 H 0.983404 -0.185232 0.059311 0.095 Uiso 1 1 calc R U . . .
C55_3 C 0.9693(5) -0.2582(3) 0.0419(7) 0.089(10) Uani 1 1 d D U . . .
N56_3 N 0.9594(4) -0.2553(4) 0.0039(7) 0.081(8) Uani 1 1 d D U . . .
N61_3 N 0.8341(6) -0.2922(3) -0.2768(6) 0.103(9) Uani 1 1 d DG U . . .
C62_3 C 0.8303(7) -0.3075(3) -0.3066(7) 0.125(13) Uani 1 1 d DG U . . .
H62_3 H 0.849708 -0.317094 -0.308731 0.150 Uiso 1 1 calc R U . . .
C63_3 C 0.7926(8) -0.3060(3) -0.3328(6) 0.120(12) Uani 1 1 d DG U . . .
H63_3 H 0.782199 -0.314385 -0.355465 0.144 Uiso 1 1 calc R U . . .
N64_3 N 0.7730(6) -0.2898(3) -0.3191(5) 0.107(9) Uani 1 1 d DG U . . .
C65_3 C 0.7986(6) -0.2812(3) -0.2845(5) 0.105(11) Uani 1 1 d DG U . . .
C66_3 C 0.7351(7) -0.2827(5) -0.3357(8) 0.122(13) Uani 1 1 d D U . . .
H66A_3 H 0.729617 -0.271268 -0.319677 0.183 Uiso 1 1 calc R U . . .
H66B_3 H 0.731357 -0.276715 -0.361112 0.183 Uiso 1 1 calc R U . . .
H66C_3 H 0.717797 -0.295147 -0.337789 0.183 Uiso 1 1 calc R U . . .
C67_3 C 0.7942(7) -0.2655(4) -0.2601(6) 0.106(12) Uani 1 1 d D U . . .
H67_3 H 0.770678 -0.257992 -0.264939 0.127 Uiso 1 1 calc R U . . .
N68_3 N 0.8226(7) -0.2614(4) -0.2308(6) 0.088(9) Uani 1 1 d D U . . .
C69_3 C 0.8155(6) -0.2484(3) -0.2015(5) 0.084(10) Uani 1 1 d DG U . . .
C70_3 C 0.7831(6) -0.2526(3) -0.1921(6) 0.093(10) Uani 1 1 d DG U . . .
H70_3 H 0.764568 -0.262786 -0.206614 0.111 Uiso 1 1 calc R U . . .
C71_3 C 0.7777(5) -0.2419(3) -0.1613(6) 0.087(10) Uani 1 1 d DG U . . .
H71_3 H 0.755538 -0.244738 -0.154802 0.104 Uiso 1 1 calc R U . . .
C72_3 C 0.8048(6) -0.2270(3) -0.1400(5) 0.093(10) Uani 1 1 d DG U . . .
C73_3 C 0.8372(6) -0.2228(3) -0.1494(5) 0.097(10) Uani 1 1 d DG U . . .
H73_3 H 0.855701 -0.212565 -0.134880 0.116 Uiso 1 1 calc R U . . .
C74_3 C 0.8426(6) -0.2335(3) -0.1802(6) 0.100(10) Uani 1 1 d DG U . . .
H74_3 H 0.864732 -0.230613 -0.186691 0.120 Uiso 1 1 calc R U . . .
C75_3 C 0.8018(7) -0.2181(2) -0.1048(5) 0.093(10) Uani 1 1 d D U . . .
N76_3 N 0.8313(7) -0.2064(3) -0.0825(6) 0.096(9) Uani 1 1 d D U . . .
N81_3 N 1.0037(5) -0.1316(3) 0.1061(6) 0.083(8) Uani 1 1 d DG U . . .
C82_3 C 1.0376(6) -0.1198(3) 0.1257(5) 0.096(10) Uani 1 1 d DG U . . .
H82_3 H 1.050236 -0.119614 0.152511 0.115 Uiso 1 1 calc R U . . .
C83_3 C 1.0493(5) -0.1084(3) 0.0982(7) 0.120(12) Uani 1 1 d DG U . . .
H83_3 H 1.071138 -0.099293 0.103379 0.143 Uiso 1 1 calc R U . . .
N84_3 N 1.0226(6) -0.1131(3) 0.0616(6) 0.123(10) Uani 1 1 d DG U . . .
C85_3 C 0.9945(5) -0.1274(2) 0.0665(5) 0.082(9) Uani 1 1 d DG U . . .
C86_3 C 1.0218(10) -0.1058(5) 0.0254(8) 0.142(16) Uani 1 1 d D U . . .
H86A_3 H 1.043661 -0.096130 0.028356 0.213 Uiso 1 1 calc R U . . .
H86B_3 H 1.022993 -0.118435 0.009621 0.213 Uiso 1 1 calc R U . . .
H86C_3 H 0.998095 -0.097643 0.013218 0.213 Uiso 1 1 calc R U . . .
C87_3 C 0.9630(6) -0.1368(4) 0.0408(7) 0.100(11) Uani 1 1 d D U . . .
H87_3 H 0.957026 -0.134459 0.014209 0.120 Uiso 1 1 calc R U . . .
N88_3 N 0.9422(6) -0.1485(4) 0.0535(6) 0.102(10) Uani 1 1 d D U . . .
C89_3 C 0.9121(5) -0.1613(3) 0.0269(6) 0.101(10) Uani 1 1 d DG U . . .
C90_3 C 0.9186(5) -0.1715(4) -0.0037(6) 0.101(11) Uani 1 1 d DG U . . .
H90_3 H 0.942551 -0.170037 -0.007289 0.121 Uiso 1 1 calc R U . . .
C91_3 C 0.8899(6) -0.1840(3) -0.0292(5) 0.087(10) Uani 1 1 d DG U . . .
H91_3 H 0.894303 -0.191005 -0.050125 0.104 Uiso 1 1 calc R U . . .
C92_3 C 0.8548(5) -0.1862(3) -0.0240(5) 0.090(10) Uani 1 1 d DG U . . .
C93_3 C 0.8483(5) -0.1759(3) 0.0066(6) 0.098(10) Uani 1 1 d DG U . . .
H93_3 H 0.824330 -0.177412 0.010165 0.118 Uiso 1 1 calc R U . . .
C94_3 C 0.8770(6) -0.1635(3) 0.0321(6) 0.098(10) Uani 1 1 d DG U . . .
H94_3 H 0.872579 -0.156444 0.053001 0.118 Uiso 1 1 calc R U . . .
C95_3 C 0.8245(6) -0.1991(3) -0.0507(6) 0.098(10) Uani 1 1 d D U . . .
N96_3 N 0.7931(6) -0.2026(3) -0.0413(7) 0.093(9) Uani 1 1 d D U . . .
N101_3 N 0.5706(7) -0.2317(3) -0.0061(7) 0.127(10) Uani 1 1 d DG U . . .
C102_3 C 0.5396(7) -0.2274(4) 0.0070(8) 0.146(13) Uani 1 1 d DG U . . .
H102_3 H 0.522479 -0.237992 0.010739 0.175 Uiso 1 1 calc R U . . .
C103_3 C 0.5388(7) -0.2045(5) 0.0136(8) 0.152(13) Uani 1 1 d DG U . . .
H103_3 H 0.521035 -0.196998 0.022522 0.182 Uiso 1 1 calc R U . . .
N104_3 N 0.5693(6) -0.1946(3) 0.0045(6) 0.151(11) Uani 1 1 d DG U . . .
C105_3 C 0.5890(5) -0.2115(3) -0.0077(5) 0.137(12) Uani 1 1 d DG U . . .
C106_3 C 0.5800(11) -0.1723(4) 0.0064(11) 0.182(18) Uani 1 1 d D U . . .
H10A_3 H 0.562743 -0.163541 0.015499 0.273 Uiso 1 1 calc R U . . .
H10B_3 H 0.606207 -0.170660 0.024016 0.273 Uiso 1 1 calc R U . . .
H10C_3 H 0.578623 -0.167239 -0.019018 0.273 Uiso 1 1 calc R U . . .
C107_3 C 0.6198(8) -0.2110(4) -0.0194(10) 0.125(13) Uani 1 1 d D U . . .
H107_3 H 0.633995 -0.197833 -0.017369 0.150 Uiso 1 1 calc R U . . .
N108_3 N 0.6297(6) -0.2281(4) -0.0329(8) 0.097(9) Uani 1 1 d D U . . .
C109_3 C 0.6651(5) -0.2258(3) -0.0412(6) 0.096(10) Uani 1 1 d DG U . . .
C110_3 C 0.6659(5) -0.2301(3) -0.0776(6) 0.095(10) Uani 1 1 d DG U . . .
H110_3 H 0.643698 -0.235458 -0.096761 0.114 Uiso 1 1 calc R U . . .
C111_3 C 0.6992(6) -0.2266(3) -0.0859(5) 0.090(10) Uani 1 1 d DG U . . .
H111_3 H 0.699741 -0.229597 -0.110722 0.108 Uiso 1 1 calc R U . . .
C112_3 C 0.7316(5) -0.2188(3) -0.0578(6) 0.090(10) Uani 1 1 d DG U . . .
C113_3 C 0.7308(5) -0.2145(3) -0.0214(6) 0.090(10) Uani 1 1 d DG U . . .
H113_3 H 0.753006 -0.209117 -0.002237 0.108 Uiso 1 1 calc R U . . .
C114_3 C 0.6975(6) -0.2179(4) -0.0131(5) 0.097(10) Uani 1 1 d DG U . . .
H114_3 H 0.696963 -0.214978 0.011725 0.116 Uiso 1 1 calc R U . . .
C115_3 C 0.7663(6) -0.2145(3) -0.0663(7) 0.086(9) Uani 1 1 d D U . . .
N116_3 N 0.7679(7) -0.2228(3) -0.0989(7) 0.083(8) Uani 1 1 d D U . . .
N121_3 N 0.9356(6) -0.1184(3) 0.1217(6) 0.100(9) Uani 1 1 d DG U . . .
C122_3 C 0.9439(7) -0.0956(3) 0.1221(7) 0.100(11) Uani 1 1 d DG U . . .
H122_3 H 0.964055 -0.089107 0.115495 0.120 Uiso 1 1 calc R U . . .
C123_3 C 0.9166(7) -0.0841(2) 0.1340(7) 0.118(11) Uani 1 1 d DG U . . .
H123_3 H 0.915335 -0.068644 0.136823 0.142 Uiso 1 1 calc R U . . .
N124_3 N 0.8915(6) -0.0998(3) 0.1410(6) 0.114(10) Uani 1 1 d DG U . . .
C125_3 C 0.9033(6) -0.1210(3) 0.1334(5) 0.101(10) Uani 1 1 d DG U . . .
C126_3 C 0.8601(8) -0.0967(6) 0.1533(10) 0.164(18) Uani 1 1 d D U . . .
H12A_3 H 0.848722 -0.110985 0.155322 0.247 Uiso 1 1 calc R U . . .
H12B_3 H 0.868485 -0.089477 0.178230 0.247 Uiso 1 1 calc R U . . .
H12C_3 H 0.841070 -0.087496 0.134827 0.247 Uiso 1 1 calc R U . . .
C127_3 C 0.8893(8) -0.1414(3) 0.1354(9) 0.101(11) Uani 1 1 d D U . . .
H127_3 H 0.867343 -0.143339 0.142735 0.121 Uiso 1 1 calc R U . . .
N128_3 N 0.9059(7) -0.1578(3) 0.1275(8) 0.092(9) Uani 1 1 d D U . . .
C129_3 C 0.8872(6) -0.1789(2) 0.1231(6) 0.087(10) Uani 1 1 d DG U . . .
C130_3 C 0.9090(5) -0.1974(3) 0.1382(6) 0.089(10) Uani 1 1 d DG U . . .
H130_3 H 0.935573 -0.195942 0.151560 0.106 Uiso 1 1 calc R U . . .
C131_3 C 0.8919(6) -0.2180(3) 0.1339(6) 0.090(10) Uani 1 1 d DG U . . .
H131_3 H 0.906807 -0.230607 0.144258 0.108 Uiso 1 1 calc R U . . .
C132_3 C 0.8530(6) -0.2201(2) 0.1144(5) 0.093(10) Uani 1 1 d DG U . . .
C133_3 C 0.8313(5) -0.2016(3) 0.0993(6) 0.092(10) Uani 1 1 d DG U . . .
H133_3 H 0.804700 -0.203090 0.085935 0.110 Uiso 1 1 calc R U . . .
C134_3 C 0.8484(6) -0.1810(3) 0.1036(6) 0.085(9) Uani 1 1 d DG U . . .
H134_3 H 0.833465 -0.168424 0.093237 0.102 Uiso 1 1 calc R U . . .
C135_3 C 0.8352(7) -0.2417(3) 0.1100(4) 0.094(10) Uani 1 1 d D U . . .
N136_3 N 0.8582(8) -0.2592(4) 0.1201(4) 0.090(9) Uani 1 1 d D U . . .
N141_3 N 0.9892(7) -0.3856(4) 0.1886(7) 0.147(11) Uani 1 1 d DG U . . .
C142_3 C 1.0197(8) -0.3991(4) 0.2108(9) 0.145(13) Uani 1 1 d DG U . . .
H142_3 H 1.025769 -0.413331 0.204010 0.174 Uiso 1 1 calc R U . . .
C143_3 C 1.0394(6) -0.3876(5) 0.2449(8) 0.159(14) Uani 1 1 d DG U . . .
H143_3 H 1.061102 -0.392804 0.264941 0.190 Uiso 1 1 calc R U . . .
N144_3 N 1.0212(6) -0.3670(4) 0.2438(6) 0.164(12) Uani 1 1 d DG U . . .
C145_3 C 0.9901(6) -0.3658(3) 0.2090(6) 0.146(12) Uani 1 1 d DG U . . .
C146_3 C 1.0298(11) -0.3498(6) 0.2706(9) 0.20(2) Uani 1 1 d D U . . .
H14A_3 H 1.011566 -0.337824 0.261095 0.299 Uiso 1 1 calc R U . . .
H14B_3 H 1.028297 -0.355231 0.294806 0.299 Uiso 1 1 calc R U . . .
H14C_3 H 1.055700 -0.344468 0.274463 0.299 Uiso 1 1 calc R U . . .
C147_3 C 0.9639(8) -0.3496(4) 0.1944(8) 0.140(13) Uani 1 1 d D U . . .
H147_3 H 0.966259 -0.335788 0.206963 0.168 Uiso 1 1 calc R U . . .
N148_3 N 0.9366(6) -0.3532(3) 0.1640(7) 0.090(8) Uani 1 1 d D U . . .
C149_3 C 0.9109(5) -0.3348(3) 0.1495(6) 0.089(10) Uani 1 1 d DG U . . .
C150_3 C 0.9268(5) -0.3145(3) 0.1463(6) 0.091(10) Uani 1 1 d DG U . . .
H150_3 H 0.953539 -0.313202 0.152087 0.109 Uiso 1 1 calc R U . . .
C151_3 C 0.9034(6) -0.2962(3) 0.1346(6) 0.098(10) Uani 1 1 d DG U . . .
H151_3 H 0.914245 -0.282376 0.132446 0.118 Uiso 1 1 calc R U . . .
C152_3 C 0.8642(6) -0.2982(3) 0.1262(5) 0.090(9) Uani 1 1 d DG U . . .
C153_3 C 0.8484(5) -0.3185(3) 0.1294(6) 0.095(10) Uani 1 1 d DG U . . .
H153_3 H 0.821614 -0.319830 0.123569 0.115 Uiso 1 1 calc R U . . .
C154_3 C 0.8717(6) -0.3368(3) 0.1410(6) 0.085(9) Uani 1 1 d DG U . . .
H154_3 H 0.860907 -0.350656 0.143211 0.102 Uiso 1 1 calc R U . . .
C155_3 C 0.8404(7) -0.2787(4) 0.1155(5) 0.084(9) Uani 1 1 d D U . . .
N156_3 N 0.8026(7) -0.2818(4) 0.1021(5) 0.088(8) Uani 1 1 d D U . . .
N161_3 N 0.5566(6) -0.2837(3) -0.0352(6) 0.116(10) Uani 1 1 d DG U . . .
C162_3 C 0.5211(6) -0.2935(4) -0.0559(6) 0.141(13) Uani 1 1 d DG U . . .
H162_3 H 0.504328 -0.288818 -0.080127 0.169 Uiso 1 1 calc R U . . .
C163_3 C 0.5150(5) -0.3114(4) -0.0342(7) 0.125(12) Uani 1 1 d DG U . . .
H163_3 H 0.493423 -0.320813 -0.041335 0.150 Uiso 1 1 calc R U . . .
N164_3 N 0.5468(6) -0.3127(3) 0.0000(6) 0.114(10) Uani 1 1 d DG U . . .
C165_3 C 0.5725(5) -0.2956(3) -0.0006(5) 0.110(11) Uani 1 1 d DG U . . .
C166_3 C 0.5544(9) -0.3274(4) 0.0307(8) 0.124(14) Uani 1 1 d D U . . .
H16A_3 H 0.533323 -0.337904 0.025769 0.185 Uiso 1 1 calc R U . . .
H16B_3 H 0.578112 -0.335316 0.033684 0.185 Uiso 1 1 calc R U . . .
H16C_3 H 0.556976 -0.319208 0.054131 0.185 Uiso 1 1 calc R U . . .
C167_3 C 0.6068(6) -0.2898(4) 0.0251(7) 0.102(11) Uani 1 1 d D U . . .
H167_3 H 0.617403 -0.297681 0.048258 0.122 Uiso 1 1 calc R U . . .
N168_3 N 0.6241(5) -0.2737(4) 0.0171(7) 0.097(9) Uani 1 1 d D U . . .
C169_3 C 0.6636(5) -0.2711(3) 0.0406(6) 0.097(10) Uani 1 1 d DG U . . .
C170_3 C 0.6873(6) -0.2894(3) 0.0507(6) 0.099(10) Uani 1 1 d DG U . . .
H170_3 H 0.676908 -0.303744 0.044901 0.119 Uiso 1 1 calc R U . . .
C171_3 C 0.7262(6) -0.2867(3) 0.0694(6) 0.095(10) Uani 1 1 d DG U . . .
H171_3 H 0.742406 -0.299179 0.076325 0.114 Uiso 1 1 calc R U . . .
C172_3 C 0.7415(5) -0.2657(3) 0.0779(5) 0.086(9) Uani 1 1 d DG U . . .
C173_3 C 0.7178(6) -0.2474(3) 0.0678(6) 0.100(10) Uani 1 1 d DG U . . .
H173_3 H 0.728191 -0.233099 0.073660 0.120 Uiso 1 1 calc R U . . .
C174_3 C 0.6789(6) -0.2502(3) 0.0492(6) 0.101(10) Uani 1 1 d DG U . . .
H174_3 H 0.662693 -0.237663 0.042236 0.122 Uiso 1 1 calc R U . . .
C175_3 C 0.7827(6) -0.2628(4) 0.0930(5) 0.088(9) Uani 1 1 d D U . . .
N176_3 N 0.7957(7) -0.2422(4) 0.0958(5) 0.089(8) Uani 1 1 d D U . . .
N181_3 N 0.5496(7) -0.2481(4) -0.0897(6) 0.140(11) Uani 1 1 d DG U . . .
C182_3 C 0.5149(7) -0.2361(4) -0.1030(8) 0.146(14) Uani 1 1 d DG U . . .
H182_3 H 0.504170 -0.227654 -0.087681 0.175 Uiso 1 1 calc R U . . .
C183_3 C 0.4991(6) -0.2391(4) -0.1430(8) 0.149(13) Uani 1 1 d DG U . . .
H183_3 H 0.475893 -0.232880 -0.159292 0.178 Uiso 1 1 calc R U . . .
N184_3 N 0.5240(6) -0.2528(4) -0.1546(6) 0.146(11) Uani 1 1 d DG U . . .
C185_3 C 0.5553(5) -0.2584(3) -0.1216(6) 0.147(12) Uani 1 1 d DG U . . .
C186_3 C 0.5218(11) -0.2608(6) -0.1907(8) 0.183(19) Uani 1 1 d D U . . .
H18A_3 H 0.498530 -0.255271 -0.209899 0.274 Uiso 1 1 calc R U . . .
H18B_3 H 0.544104 -0.255712 -0.196840 0.274 Uiso 1 1 calc R U . . .
H18C_3 H 0.521397 -0.276876 -0.190539 0.274 Uiso 1 1 calc R U . . .
C187_3 C 0.5864(7) -0.2712(5) -0.1180(8) 0.137(13) Uani 1 1 d D U . . .
H187_3 H 0.590558 -0.277699 -0.139422 0.165 Uiso 1 1 calc R U . . .
N188_3 N 0.6094(6) -0.2739(5) -0.0846(7) 0.120(10) Uani 1 1 d D U . . .
C189_3 C 0.6449(5) -0.2849(3) -0.0801(6) 0.101(10) Uani 1 1 d DG U . . .
C190_3 C 0.6634(6) -0.2960(3) -0.0464(6) 0.090(10) Uani 1 1 d DG U . . .
H190_3 H 0.651692 -0.297325 -0.027436 0.109 Uiso 1 1 calc R U . . .
C191_3 C 0.6991(5) -0.3053(3) -0.0404(5) 0.080(9) Uani 1 1 d DG U . . .
H191_3 H 0.711719 -0.312953 -0.017395 0.096 Uiso 1 1 calc R U . . .
C192_3 C 0.7162(5) -0.3035(3) -0.0682(6) 0.082(9) Uani 1 1 d DG U . . .
C193_3 C 0.6977(6) -0.2923(3) -0.1019(5) 0.100(10) Uani 1 1 d DG U . . .
H193_3 H 0.709456 -0.291019 -0.120916 0.120 Uiso 1 1 calc R U . . .
C194_3 C 0.6621(6) -0.2830(3) -0.1079(5) 0.096(10) Uani 1 1 d DG U . . .
H194_3 H 0.649428 -0.275391 -0.130957 0.115 Uiso 1 1 calc R U . . .
C195_3 C 0.7529(5) -0.3140(2) -0.0621(7) 0.084(9) Uani 1 1 d D U . . .
N196_3 N 0.7673(6) -0.3257(3) -0.0299(6) 0.079(8) Uani 1 1 d D U . . .
N201_3 N 0.9080(6) -0.4034(3) 0.1745(6) 0.111(10) Uani 1 1 d DG U . . .
C202_3 C 0.9180(7) -0.4149(4) 0.2096(6) 0.135(13) Uani 1 1 d DG U . . .
H202_3 H 0.942569 -0.415454 0.228483 0.162 Uiso 1 1 calc R U . . .
C203_3 C 0.8847(8) -0.4255(4) 0.2116(6) 0.132(12) Uani 1 1 d DG U . . .
H203_3 H 0.883133 -0.434390 0.232033 0.159 Uiso 1 1 calc R U . . .
N204_3 N 0.8541(6) -0.4206(3) 0.1777(6) 0.143(11) Uani 1 1 d DG U . . .
C205_3 C 0.8685(6) -0.4069(3) 0.1547(5) 0.116(11) Uani 1 1 d DG U . . .
C206_3 C 0.8156(7) -0.4268(5) 0.1655(10) 0.163(17) Uani 1 1 d D U . . .
H20A_3 H 0.810955 -0.436166 0.184840 0.244 Uiso 1 1 calc R U . . .
H20B_3 H 0.799562 -0.413666 0.161533 0.244 Uiso 1 1 calc R U . . .
H20C_3 H 0.809503 -0.434956 0.141438 0.244 Uiso 1 1 calc R U . . .
C207_3 C 0.8509(7) -0.3978(5) 0.1199(6) 0.119(12) Uani 1 1 d D U . . .
H207_3 H 0.824326 -0.399737 0.107008 0.143 Uiso 1 1 calc R U . . .
N208_3 N 0.8710(7) -0.3866(4) 0.1053(6) 0.104(10) Uani 1 1 d D U . . .
C209_3 C 0.8523(6) -0.3745(3) 0.0710(5) 0.099(11) Uani 1 1 d DG U . . .
C210_3 C 0.8167(6) -0.3651(3) 0.0651(5) 0.090(10) Uani 1 1 d DG U . . .
H210_3 H 0.803683 -0.367782 0.082699 0.108 Uiso 1 1 calc R U . . .
C211_3 C 0.8000(5) -0.3519(3) 0.0334(6) 0.098(10) Uani 1 1 d DG U . . .
H211_3 H 0.775687 -0.345549 0.029333 0.117 Uiso 1 1 calc R U . . .
C212_3 C 0.8190(6) -0.3480(3) 0.0076(5) 0.075(9) Uani 1 1 d DG U . . .
C213_3 C 0.8546(6) -0.3574(3) 0.0135(5) 0.094(10) Uani 1 1 d DG U . . .
H213_3 H 0.867599 -0.354725 -0.004136 0.113 Uiso 1 1 calc R U . . .
C214_3 C 0.8713(5) -0.3706(3) 0.0452(6) 0.088(10) Uani 1 1 d DG U . . .
H214_3 H 0.895596 -0.376958 0.049230 0.106 Uiso 1 1 calc R U . . .
C215_3 C 0.8017(7) -0.3350(3) -0.0264(5) 0.086(9) Uani 1 1 d D U . . .
N216_3 N 0.8209(7) -0.3334(3) -0.0511(6) 0.081(8) Uani 1 1 d D U . . .
N221_3 N 0.9166(7) -0.3019(3) -0.2379(7) 0.105(10) Uani 1 1 d DG U . . .
C222_3 C 0.9409(8) -0.3026(4) -0.2601(7) 0.126(12) Uani 1 1 d DG U . . .
H222_3 H 0.947500 -0.290524 -0.272856 0.152 Uiso 1 1 calc R U . . .
C223_3 C 0.9538(7) -0.3246(4) -0.2600(7) 0.121(12) Uani 1 1 d DG U . . .
H223_3 H 0.970447 -0.329786 -0.272696 0.146 Uiso 1 1 calc R U . . .
N224_3 N 0.9373(6) -0.3374(3) -0.2377(6) 0.122(10) Uani 1 1 d DG U . . .
C225_3 C 0.9143(5) -0.3234(3) -0.2240(5) 0.119(11) Uani 1 1 d DG U . . .
C226_3 C 0.9409(11) -0.3600(4) -0.2287(10) 0.163(17) Uani 1 1 d D U . . .
H22A_3 H 0.925643 -0.363527 -0.212565 0.244 Uiso 1 1 calc R U . . .
H22B_3 H 0.931832 -0.368623 -0.252254 0.244 Uiso 1 1 calc R U . . .
H22C_3 H 0.967742 -0.363473 -0.215054 0.244 Uiso 1 1 calc R U . . .
C227_3 C 0.8928(8) -0.3278(4) -0.2015(8) 0.110(12) Uani 1 1 d D U . . .
H227_3 H 0.892496 -0.342060 -0.191213 0.132 Uiso 1 1 calc R U . . .
N228_3 N 0.8734(7) -0.3124(4) -0.1948(7) 0.097(9) Uani 1 1 d D U . . .
C229_3 C 0.8548(6) -0.3160(3) -0.1671(5) 0.088(10) Uani 1 1 d DG U . . .
C230_3 C 0.8720(5) -0.3285(3) -0.1347(6) 0.090(10) Uani 1 1 d DG U . . .
H230_3 H 0.895020 -0.336187 -0.131891 0.109 Uiso 1 1 calc R U . . .
C231_3 C 0.8556(6) -0.3298(3) -0.1062(5) 0.090(10) Uani 1 1 d DG U . . .
H231_3 H 0.867374 -0.338315 -0.084063 0.108 Uiso 1 1 calc R U . . .
C232_3 C 0.8220(6) -0.3185(3) -0.1103(5) 0.074(9) Uani 1 1 d DG U . . .
C233_3 C 0.8048(5) -0.3060(3) -0.1428(6) 0.093(10) Uani 1 1 d DG U . . .
H233_3 H 0.781792 -0.298288 -0.145521 0.111 Uiso 1 1 calc R U . . .
C234_3 C 0.8212(6) -0.3047(3) -0.1712(5) 0.086(10) Uani 1 1 d DG U . . .
H234_3 H 0.809437 -0.296160 -0.193349 0.103 Uiso 1 1 calc R U . . .
C235_3 C 0.8030(6) -0.3209(3) -0.0822(6) 0.080(9) Uani 1 1 d D U . . .
N236_3 N 0.7693(6) -0.3107(3) -0.0902(7) 0.072(8) Uani 1 1 d D U . . .
Fe1_4 Fe 1.3586(2) -0.25019(9) -0.18595(18) 0.0876(19) Uani 1 1 d . . . . .
Fe2_4 Fe 1.5135(2) -0.14355(9) 0.1844(2) 0.109(2) Uani 1 1 d . . . . .
Fe3_4 Fe 1.12231(19) -0.22605(10) 0.0541(2) 0.108(2) Uani 1 1 d . . . . .
Fe4_4 Fe 1.4415(2) -0.38056(9) 0.1604(2) 0.107(2) Uani 1 1 d . . . . .
N1_4 N 1.3996(6) -0.2360(3) -0.2061(6) 0.105(9) Uani 1 1 d DG U . . .
C2_4 C 1.4175(8) -0.2400(3) -0.2337(7) 0.116(12) Uani 1 1 d DG U . . .
H2_4 H 1.416779 -0.253436 -0.246997 0.139 Uiso 1 1 calc R U . . .
C3_4 C 1.4367(7) -0.2205(4) -0.2378(6) 0.122(12) Uani 1 1 d DG U . . .
H3_4 H 1.451047 -0.218586 -0.254377 0.147 Uiso 1 1 calc R U . . .
N4_4 N 1.4306(6) -0.2044(3) -0.2128(6) 0.121(10) Uani 1 1 d DG U . . .
C5_4 C 1.4077(5) -0.2140(3) -0.1932(5) 0.101(11) Uani 1 1 d DG U . . .
C6_4 C 1.4436(10) -0.1826(4) -0.2066(10) 0.149(16) Uani 1 1 d D U . . .
H6A_4 H 1.434471 -0.175777 -0.187437 0.223 Uiso 1 1 calc R U . . .
H6B_4 H 1.471589 -0.182419 -0.197525 0.223 Uiso 1 1 calc R U . . .
H6C_4 H 1.433941 -0.174324 -0.230529 0.223 Uiso 1 1 calc R U . . .
C7_4 C 1.3937(8) -0.2059(4) -0.1664(7) 0.103(12) Uani 1 1 d D U . . .
H7_4 H 1.400129 -0.191489 -0.156646 0.124 Uiso 1 1 calc R U . . .
N8_4 N 1.3722(7) -0.2179(4) -0.1548(7) 0.092(9) Uani 1 1 d D U . . .
C9_4 C 1.3622(6) -0.2108(3) -0.1222(5) 0.096(10) Uani 1 1 d DG U . . .
C10_4 C 1.3895(5) -0.2010(3) -0.0912(6) 0.091(10) Uani 1 1 d DG U . . .
H10_4 H 1.414571 -0.198566 -0.091658 0.109 Uiso 1 1 calc R U . . .
C11_4 C 1.3802(6) -0.1948(3) -0.0595(5) 0.095(10) Uani 1 1 d DG U . . .
H11_4 H 1.398834 -0.188191 -0.038259 0.114 Uiso 1 1 calc R U . . .
C12_4 C 1.3435(6) -0.1984(3) -0.0588(5) 0.088(10) Uani 1 1 d DG U . . .
C13_4 C 1.3162(5) -0.2082(3) -0.0898(6) 0.104(10) Uani 1 1 d DG U . . .
H13_4 H 1.291166 -0.210614 -0.089376 0.125 Uiso 1 1 calc R U . . .
C14_4 C 1.3256(6) -0.2143(3) -0.1216(5) 0.092(10) Uani 1 1 d DG U . . .
H14_4 H 1.306902 -0.220988 -0.142775 0.111 Uiso 1 1 calc R U . . .
C15_4 C 1.3325(7) -0.1915(3) -0.0265(5) 0.086(9) Uani 1 1 d D U . . .
N16_4 N 1.2979(7) -0.1979(3) -0.0261(7) 0.092(9) Uani 1 1 d D U . . .
N21_4 N 1.5025(6) -0.1241(3) 0.2275(6) 0.105(9) Uani 1 1 d DG U . . .
C22_4 C 1.5207(6) -0.1169(4) 0.2656(6) 0.122(12) Uani 1 1 d DG U . . .
H22_4 H 1.545838 -0.120601 0.281448 0.146 Uiso 1 1 calc R U . . .
C23_4 C 1.4947(7) -0.1034(4) 0.2760(5) 0.129(12) Uani 1 1 d DG U . . .
H23_4 H 1.499392 -0.096367 0.299935 0.155 Uiso 1 1 calc R U . . .
N24_4 N 1.4604(6) -0.1021(3) 0.2443(6) 0.111(9) Uani 1 1 d DG U . . .
C25_4 C 1.4653(5) -0.1149(3) 0.2143(5) 0.103(10) Uani 1 1 d DG U . . .
C26_4 C 1.4264(8) -0.0907(4) 0.2402(9) 0.123(14) Uani 1 1 d D U . . .
H26A_4 H 1.408151 -0.093258 0.214594 0.185 Uiso 1 1 calc R U . . .
H26B_4 H 1.415621 -0.096052 0.259255 0.185 Uiso 1 1 calc R U . . .
H26C_4 H 1.431777 -0.074977 0.243951 0.185 Uiso 1 1 calc R U . . .
C27_4 C 1.4410(7) -0.1190(4) 0.1784(6) 0.103(11) Uani 1 1 d D U . . .
H27_4 H 1.416252 -0.112578 0.169469 0.124 Uiso 1 1 calc R U . . .
N28_4 N 1.4522(6) -0.1314(4) 0.1574(5) 0.086(8) Uani 1 1 d D U . . .
C29_4 C 1.4233(6) -0.1404(3) 0.1240(5) 0.088(10) Uani 1 1 d DG U . . .
C30_4 C 1.4319(5) -0.1433(3) 0.0908(6) 0.106(10) Uani 1 1 d DG U . . .
H30_4 H 1.455834 -0.138678 0.089650 0.127 Uiso 1 1 calc R U . . .
C31_4 C 1.4054(6) -0.1531(3) 0.0592(5) 0.103(10) Uani 1 1 d DG U . . .
H31_4 H 1.411309 -0.155168 0.036444 0.124 Uiso 1 1 calc R U . . .
C32_4 C 1.3704(6) -0.1600(3) 0.0608(5) 0.090(9) Uani 1 1 d DG U . . .
C33_4 C 1.3618(5) -0.1570(3) 0.0940(6) 0.092(10) Uani 1 1 d DG U . . .
H33_4 H 1.337798 -0.161680 0.095128 0.110 Uiso 1 1 calc R U . . .
C34_4 C 1.3882(6) -0.1472(4) 0.1256(5) 0.097(10) Uani 1 1 d DG U . . .
H34_4 H 1.382323 -0.145190 0.148335 0.117 Uiso 1 1 calc R U . . .
C35_4 C 1.3451(6) -0.1732(3) 0.0299(6) 0.087(9) Uani 1 1 d D U . . .
N36_4 N 1.3578(8) -0.1787(3) 0.0015(6) 0.088(8) Uani 1 1 d D U . . .
N41_4 N 1.0731(6) -0.2292(4) 0.0017(6) 0.138(11) Uani 1 1 d DG U . . .
C42_4 C 1.0335(7) -0.2342(4) -0.0110(9) 0.143(13) Uani 1 1 d DG U . . .
H42_4 H 1.020088 -0.240979 0.003678 0.172 Uiso 1 1 calc R U . . .
C43_4 C 1.0176(5) -0.2272(4) -0.0495(9) 0.150(13) Uani 1 1 d DG U . . .
H43_4 H 0.991586 -0.228482 -0.065078 0.180 Uiso 1 1 calc R U . . .
N44_4 N 1.0473(6) -0.2179(4) -0.0605(6) 0.161(11) Uani 1 1 d DG U . . .
C45_4 C 1.0816(5) -0.2192(3) -0.0289(6) 0.145(12) Uani 1 1 d DG U . . .
C46_4 C 1.0461(11) -0.2087(6) -0.0956(8) 0.21(2) Uani 1 1 d D U . . .
H46A_4 H 1.071739 -0.203773 -0.093865 0.309 Uiso 1 1 calc R U . . .
H46B_4 H 1.037250 -0.219790 -0.115777 0.309 Uiso 1 1 calc R U . . .
H46C_4 H 1.028631 -0.196159 -0.101649 0.309 Uiso 1 1 calc R U . . .
C47_4 C 1.1178(6) -0.2127(5) -0.0246(7) 0.118(11) Uani 1 1 d D U . . .
H47_4 H 1.123427 -0.206319 -0.045377 0.142 Uiso 1 1 calc R U . . .
N48_4 N 1.1438(5) -0.2153(4) 0.0071(7) 0.091(8) Uani 1 1 d D U . . .
C49_4 C 1.1820(5) -0.2099(3) 0.0077(6) 0.088(10) Uani 1 1 d DG U . . .
C50_4 C 1.1958(6) -0.2189(3) -0.0194(6) 0.092(10) Uani 1 1 d DG U . . .
H50_4 H 1.180907 -0.229377 -0.037152 0.111 Uiso 1 1 calc R U . . .
C51_4 C 1.2314(6) -0.2128(3) -0.0204(6) 0.092(10) Uani 1 1 d DG U . . .
H51_4 H 1.240809 -0.218963 -0.038930 0.110 Uiso 1 1 calc R U . . .
C52_4 C 1.2532(5) -0.1975(3) 0.0056(6) 0.086(9) Uani 1 1 d DG U . . .
C53_4 C 1.2394(6) -0.1884(3) 0.0327(6) 0.093(10) Uani 1 1 d DG U . . .
H53_4 H 1.254264 -0.177975 0.050438 0.112 Uiso 1 1 calc R U . . .
C54_4 C 1.2038(6) -0.1946(3) 0.0337(6) 0.087(10) Uani 1 1 d DG U . . .
H54_4 H 1.194364 -0.188388 0.052217 0.104 Uiso 1 1 calc R U . . .
C55_4 C 1.2900(5) -0.1910(3) 0.0039(7) 0.087(9) Uani 1 1 d D U . . .
N56_4 N 1.3120(7) -0.1787(3) 0.0327(7) 0.091(8) Uani 1 1 d D U . . .
N61_4 N 1.5703(6) -0.1490(3) 0.2214(6) 0.120(10) Uani 1 1 d DG U . . .
C62_4 C 1.6065(7) -0.1386(3) 0.2335(8) 0.132(13) Uani 1 1 d DG U . . .
H62_4 H 1.613406 -0.125933 0.222345 0.158 Uiso 1 1 calc R U . . .
C63_4 C 1.6307(5) -0.1504(4) 0.2653(7) 0.134(12) Uani 1 1 d DG U . . .
H63_4 H 1.656643 -0.147079 0.279146 0.161 Uiso 1 1 calc R U . . .
N64_4 N 1.6095(6) -0.1681(3) 0.2728(6) 0.132(11) Uani 1 1 d DG U . . .
C65_4 C 1.5721(5) -0.1672(3) 0.2456(6) 0.121(11) Uani 1 1 d DG U . . .
C66_4 C 1.6195(10) -0.1848(5) 0.3008(8) 0.151(17) Uani 1 1 d D U . . .
H66A_4 H 1.646215 -0.182861 0.317022 0.226 Uiso 1 1 calc R U . . .
H66B_4 H 1.603083 -0.183801 0.316534 0.226 Uiso 1 1 calc R U . . .
H66C_4 H 1.616354 -0.199182 0.288437 0.226 Uiso 1 1 calc R U . . .
C67_4 C 1.5414(6) -0.1805(4) 0.2410(8) 0.121(12) Uani 1 1 d D U . . .
H67_4 H 1.542919 -0.192852 0.257116 0.145 Uiso 1 1 calc R U . . .
N68_4 N 1.5109(6) -0.1759(4) 0.2145(8) 0.102(9) Uani 1 1 d D U . . .
C69_4 C 1.4801(5) -0.1915(3) 0.2063(6) 0.088(10) Uani 1 1 d DG U . . .
C70_4 C 1.4878(4) -0.2139(3) 0.2092(6) 0.089(10) Uani 1 1 d DG U . . .
H70_4 H 1.513407 -0.218958 0.218936 0.107 Uiso 1 1 calc R U . . .
C71_4 C 1.4580(6) -0.2290(3) 0.1978(6) 0.090(10) Uani 1 1 d DG U . . .
H71_4 H 1.463259 -0.244286 0.199722 0.109 Uiso 1 1 calc R U . . .
C72_4 C 1.4205(5) -0.2216(3) 0.1835(5) 0.082(9) Uani 1 1 d DG U . . .
C73_4 C 1.4128(4) -0.1992(3) 0.1806(6) 0.090(10) Uani 1 1 d DG U . . .
H73_4 H 1.387200 -0.194179 0.170877 0.108 Uiso 1 1 calc R U . . .
C74_4 C 1.4426(6) -0.1842(3) 0.1920(6) 0.091(10) Uani 1 1 d DG U . . .
H74_4 H 1.437347 -0.168851 0.190091 0.109 Uiso 1 1 calc R U . . .
C75_4 C 1.3886(6) -0.2369(4) 0.1729(4) 0.083(9) Uani 1 1 d D U . . .
N76_4 N 1.3536(6) -0.2275(4) 0.1613(4) 0.082(8) Uani 1 1 d D U . . .
N81_4 N 1.1011(6) -0.1961(3) 0.0663(6) 0.115(10) Uani 1 1 d DG U . . .
C82_4 C 1.0664(5) -0.1840(4) 0.0552(7) 0.133(13) Uani 1 1 d DG U . . .
H82_4 H 1.043665 -0.187797 0.035118 0.159 Uiso 1 1 calc R U . . .
C83_4 C 1.0716(6) -0.1654(4) 0.0793(8) 0.130(12) Uani 1 1 d DG U . . .
H83_4 H 1.053046 -0.154480 0.078244 0.156 Uiso 1 1 calc R U . . .
N84_4 N 1.1096(6) -0.1659(3) 0.1054(6) 0.134(11) Uani 1 1 d DG U . . .
C85_4 C 1.1278(5) -0.1849(3) 0.0974(6) 0.121(11) Uani 1 1 d DG U . . .
C86_4 C 1.1281(10) -0.1511(5) 0.1347(9) 0.174(19) Uani 1 1 d D U . . .
H86A_4 H 1.110557 -0.139221 0.135348 0.261 Uiso 1 1 calc R U . . .
H86B_4 H 1.136387 -0.158809 0.159196 0.261 Uiso 1 1 calc R U . . .
H86C_4 H 1.150431 -0.144865 0.129947 0.261 Uiso 1 1 calc R U . . .
C87_4 C 1.1638(6) -0.1930(4) 0.1137(8) 0.124(12) Uani 1 1 d D U . . .
H87_4 H 1.182118 -0.185346 0.133931 0.149 Uiso 1 1 calc R U . . .
N88_4 N 1.1720(5) -0.2109(4) 0.1013(8) 0.093(9) Uani 1 1 d D U . . .
C89_4 C 1.2109(5) -0.2186(3) 0.1163(6) 0.095(10) Uani 1 1 d DG U . . .
C90_4 C 1.2410(6) -0.2038(3) 0.1284(6) 0.099(10) Uani 1 1 d DG U . . .
H90_4 H 1.236072 -0.188559 0.128928 0.118 Uiso 1 1 calc R U . . .
C91_4 C 1.2784(5) -0.2114(3) 0.1397(6) 0.094(10) Uani 1 1 d DG U . . .
H91_4 H 1.298975 -0.201345 0.148011 0.113 Uiso 1 1 calc R U . . .
C92_4 C 1.2856(5) -0.2338(3) 0.1390(5) 0.079(9) Uani 1 1 d DG U . . .
C93_4 C 1.2554(6) -0.2486(2) 0.1268(6) 0.083(9) Uani 1 1 d DG U . . .
H93_4 H 1.260360 -0.263888 0.126314 0.099 Uiso 1 1 calc R U . . .
C94_4 C 1.2181(5) -0.2410(3) 0.1155(6) 0.095(10) Uani 1 1 d DG U . . .
H94_4 H 1.197458 -0.251102 0.107231 0.114 Uiso 1 1 calc R U . . .
C95_4 C 1.3244(6) -0.2421(4) 0.1516(4) 0.078(9) Uani 1 1 d D U . . .
N96_4 N 1.3284(8) -0.2641(4) 0.1531(5) 0.080(8) Uani 1 1 d D U . . .
N101_4 N 1.4061(6) -0.4058(3) 0.1676(7) 0.107(10) Uani 1 1 d DG U . . .
C102_4 C 1.4034(8) -0.4291(3) 0.1661(8) 0.123(12) Uani 1 1 d DG U . . .
H102_4 H 1.418631 -0.438780 0.157298 0.148 Uiso 1 1 calc R U . . .
C103_4 C 1.3738(8) -0.4354(3) 0.1801(8) 0.132(12) Uani 1 1 d DG U . . .
H103_4 H 1.365773 -0.449996 0.182334 0.159 Uiso 1 1 calc R U . . .
N104_4 N 1.3582(6) -0.4160(3) 0.1902(6) 0.131(11) Uani 1 1 d DG U . . .
C105_4 C 1.3782(6) -0.3977(3) 0.1825(5) 0.116(11) Uani 1 1 d DG U . . .
C106_4 C 1.3286(9) -0.4129(6) 0.2054(10) 0.19(2) Uani 1 1 d D U . . .
H10A_4 H 1.318167 -0.427268 0.208842 0.279 Uiso 1 1 calc R U . . .
H10B_4 H 1.338592 -0.405450 0.230034 0.279 Uiso 1 1 calc R U . . .
H10C_4 H 1.308387 -0.404003 0.187770 0.279 Uiso 1 1 calc R U . . .
C107_4 C 1.3742(9) -0.3759(3) 0.1872(9) 0.111(11) Uani 1 1 d D U . . .
H107_4 H 1.356879 -0.370491 0.198937 0.133 Uiso 1 1 calc R U . . .
N108_4 N 1.3942(8) -0.3629(3) 0.1754(9) 0.106(10) Uani 1 1 d D U . . .
C109_4 C 1.3858(6) -0.3397(2) 0.1747(6) 0.092(10) Uani 1 1 d DG U . . .
C110_4 C 1.4159(5) -0.3250(3) 0.1809(6) 0.084(9) Uani 1 1 d DG U . . .
H110_4 H 1.441318 -0.330288 0.187636 0.101 Uiso 1 1 calc R U . . .
C111_4 C 1.4088(5) -0.3025(3) 0.1773(6) 0.089(10) Uani 1 1 d DG U . . .
H111_4 H 1.429348 -0.292483 0.181569 0.107 Uiso 1 1 calc R U . . .
C112_4 C 1.3716(6) -0.2948(2) 0.1675(5) 0.073(9) Uani 1 1 d DG U . . .
C113_4 C 1.3416(5) -0.3095(3) 0.1613(6) 0.084(9) Uani 1 1 d DG U . . .
H113_4 H 1.316144 -0.304157 0.154576 0.100 Uiso 1 1 calc R U . . .
C114_4 C 1.3487(5) -0.3319(3) 0.1649(6) 0.086(9) Uani 1 1 d DG U . . .
H114_4 H 1.328113 -0.341963 0.160644 0.104 Uiso 1 1 calc R U . . .
C115_4 C 1.3650(7) -0.2711(3) 0.1651(5) 0.077(9) Uani 1 1 d D U . . .
N116_4 N 1.3961(8) -0.2582(4) 0.1755(5) 0.082(8) Uani 1 1 d D U . . .
N121_4 N 1.0979(7) -0.2412(3) 0.0927(7) 0.121(10) Uani 1 1 d DG U . . .
C122_4 C 1.0780(8) -0.2359(3) 0.1180(8) 0.133(13) Uani 1 1 d DG U . . .
H122_4 H 1.070985 -0.221556 0.123319 0.159 Uiso 1 1 calc R U . . .
C123_4 C 1.0703(7) -0.2558(4) 0.1340(7) 0.126(12) Uani 1 1 d DG U . . .
H123_4 H 1.057237 -0.257081 0.151920 0.151 Uiso 1 1 calc R U . . .
N124_4 N 1.0855(6) -0.2734(3) 0.1186(6) 0.113(10) Uani 1 1 d DG U . . .
C125_4 C 1.1025(5) -0.2644(3) 0.0930(5) 0.107(11) Uani 1 1 d DG U . . .
C126_4 C 1.0849(9) -0.2960(4) 0.1256(9) 0.130(14) Uani 1 1 d D U . . .
H12A_4 H 1.097827 -0.303898 0.110460 0.194 Uiso 1 1 calc R U . . .
H12B_4 H 1.098061 -0.298875 0.152729 0.194 Uiso 1 1 calc R U . . .
H12C_4 H 1.058421 -0.301054 0.118432 0.194 Uiso 1 1 calc R U . . .
C127_4 C 1.1210(9) -0.2739(4) 0.0709(8) 0.114(12) Uani 1 1 d D U . . .
H127_4 H 1.122803 -0.289486 0.069789 0.137 Uiso 1 1 calc R U . . .
N128_4 N 1.1356(7) -0.2618(4) 0.0521(7) 0.099(10) Uani 1 1 d D U . . .
C129_4 C 1.1626(5) -0.2722(3) 0.0372(6) 0.094(10) Uani 1 1 d DG U . . .
C130_4 C 1.1628(5) -0.2666(3) 0.0011(6) 0.106(11) Uani 1 1 d DG U . . .
H130_4 H 1.143872 -0.256961 -0.014527 0.127 Uiso 1 1 calc R U . . .
C131_4 C 1.1908(6) -0.2749(3) -0.0122(5) 0.085(10) Uani 1 1 d DG U . . .
H131_4 H 1.190973 -0.271067 -0.036823 0.102 Uiso 1 1 calc R U . . .
C132_4 C 1.2186(5) -0.2890(3) 0.0107(6) 0.080(9) Uani 1 1 d DG U . . .
C133_4 C 1.2183(5) -0.2947(3) 0.0468(6) 0.078(9) Uani 1 1 d DG U . . .
H133_4 H 1.237315 -0.304263 0.062387 0.094 Uiso 1 1 calc R U . . .
C134_4 C 1.1904(6) -0.2863(3) 0.0600(5) 0.092(10) Uani 1 1 d DG U . . .
H134_4 H 1.190214 -0.290157 0.084684 0.111 Uiso 1 1 calc R U . . .
C135_4 C 1.2511(5) -0.2953(3) -0.0004(6) 0.087(10) Uani 1 1 d D U . . .
N136_4 N 1.2535(7) -0.2867(3) -0.0328(6) 0.085(8) Uani 1 1 d D U . . .
N141_4 N 1.3176(6) -0.2372(3) -0.2326(6) 0.105(9) Uani 1 1 d DG U . . .
C142_4 C 1.3147(7) -0.2259(3) -0.2668(7) 0.109(11) Uani 1 1 d DG U . . .
H142_4 H 1.335260 -0.219656 -0.273036 0.131 Uiso 1 1 calc R U . . .
C143_4 C 1.2757(8) -0.2258(3) -0.2902(5) 0.115(11) Uani 1 1 d DG U . . .
H143_4 H 1.265612 -0.219304 -0.314824 0.138 Uiso 1 1 calc R U . . .
N144_4 N 1.2545(6) -0.2369(3) -0.2704(5) 0.115(10) Uani 1 1 d DG U . . .
C145_4 C 1.2804(6) -0.2440(2) -0.2348(5) 0.098(10) Uani 1 1 d DG U . . .
C146_4 C 1.2151(7) -0.2408(5) -0.2823(9) 0.157(16) Uani 1 1 d D U . . .
H14A_4 H 1.208926 -0.248891 -0.262372 0.236 Uiso 1 1 calc R U . . .
H14B_4 H 1.201478 -0.226710 -0.286864 0.236 Uiso 1 1 calc R U . . .
H14C_4 H 1.207392 -0.249415 -0.305837 0.236 Uiso 1 1 calc R U . . .
C147_4 C 1.2750(7) -0.2552(4) -0.2054(6) 0.094(11) Uani 1 1 d D U . . .
H147_4 H 1.250202 -0.259359 -0.206217 0.113 Uiso 1 1 calc R U . . .
N148_4 N 1.3039(7) -0.2599(4) -0.1772(6) 0.093(9) Uani 1 1 d D U . . .
C149_4 C 1.2989(6) -0.2678(3) -0.1427(5) 0.091(10) Uani 1 1 d DG U . . .
C150_4 C 1.2702(6) -0.2593(3) -0.1307(6) 0.095(10) Uani 1 1 d DG U . . .
H150_4 H 1.254150 -0.247895 -0.144850 0.114 Uiso 1 1 calc R U . . .
C151_4 C 1.2649(5) -0.2674(3) -0.0979(6) 0.080(10) Uani 1 1 d DG U . . .
H151_4 H 1.245229 -0.261604 -0.089727 0.096 Uiso 1 1 calc R U . . .
C152_4 C 1.2883(6) -0.2841(3) -0.0772(5) 0.078(9) Uani 1 1 d DG U . . .
C153_4 C 1.3170(6) -0.2926(3) -0.0892(5) 0.077(9) Uani 1 1 d DG U . . .
H153_4 H 1.333060 -0.303951 -0.075009 0.092 Uiso 1 1 calc R U . . .
C154_4 C 1.3223(6) -0.2844(3) -0.1219(6) 0.085(10) Uani 1 1 d DG U . . .
H154_4 H 1.341982 -0.290243 -0.130132 0.102 Uiso 1 1 calc R U . . .
C155_4 C 1.2835(7) -0.2927(3) -0.0425(5) 0.074(9) Uani 1 1 d D U . . .
N156_4 N 1.3105(7) -0.3065(3) -0.0216(6) 0.082(8) Uani 1 1 d D U . . .
N161_4 N 1.4715(7) -0.4030(4) 0.1344(6) 0.132(10) Uani 1 1 d DG U . . .
C162_4 C 1.4986(7) -0.4204(4) 0.1446(7) 0.147(13) Uani 1 1 d DG U . . .
H162_4 H 1.515342 -0.423571 0.169544 0.176 Uiso 1 1 calc R U . . .
C163_4 C 1.4963(7) -0.4320(3) 0.1108(9) 0.154(13) Uani 1 1 d DG U . . .
H163_4 H 1.511235 -0.444436 0.109309 0.185 Uiso 1 1 calc R U . . .
N164_4 N 1.4678(7) -0.4219(3) 0.0798(7) 0.157(12) Uani 1 1 d DG U . . .
C165_4 C 1.4525(5) -0.4040(3) 0.0944(6) 0.139(12) Uani 1 1 d DG U . . .
C166_4 C 1.4557(11) -0.4279(6) 0.0410(8) 0.190(19) Uani 1 1 d D U . . .
H16A_4 H 1.435519 -0.417838 0.026320 0.285 Uiso 1 1 calc R U . . .
H16B_4 H 1.477299 -0.426982 0.031616 0.285 Uiso 1 1 calc R U . . .
H16C_4 H 1.445842 -0.442946 0.038069 0.285 Uiso 1 1 calc R U . . .
C167_4 C 1.4248(8) -0.3890(4) 0.0771(7) 0.133(13) Uani 1 1 d D U . . .
H167_4 H 1.414024 -0.388398 0.050139 0.159 Uiso 1 1 calc R U . . .
N168_4 N 1.4136(7) -0.3759(4) 0.0976(7) 0.097(9) Uani 1 1 d D U . . .
C169_4 C 1.3862(6) -0.3594(3) 0.0769(6) 0.099(10) Uani 1 1 d DG U . . .
C170_4 C 1.3942(5) -0.3472(4) 0.0490(7) 0.104(11) Uani 1 1 d DG U . . .
H170_4 H 1.417717 -0.349247 0.044547 0.124 Uiso 1 1 calc R U . . .
C171_4 C 1.3679(6) -0.3320(3) 0.0275(6) 0.098(10) Uani 1 1 d DG U . . .
H171_4 H 1.373335 -0.323658 0.008367 0.117 Uiso 1 1 calc R U . . .
C172_4 C 1.3335(5) -0.3290(3) 0.0339(6) 0.088(10) Uani 1 1 d DG U . . .
C173_4 C 1.3255(5) -0.3413(3) 0.0619(6) 0.096(10) Uani 1 1 d DG U . . .
H173_4 H 1.302038 -0.339216 0.066286 0.115 Uiso 1 1 calc R U . . .
C174_4 C 1.3519(6) -0.3565(3) 0.0834(6) 0.101(10) Uani 1 1 d DG U . . .
H174_4 H 1.346419 -0.364804 0.102466 0.121 Uiso 1 1 calc R U . . .
C175_4 C 1.3053(6) -0.3140(3) 0.0100(6) 0.084(9) Uani 1 1 d D U . . .
N176_4 N 1.2759(6) -0.3087(3) 0.0212(7) 0.089(9) Uani 1 1 d D U . . .
N181_4 N 1.4760(6) -0.3843(3) 0.2178(6) 0.117(10) Uani 1 1 d DG U . . .
C182_4 C 1.4784(7) -0.3973(3) 0.2502(7) 0.137(13) Uani 1 1 d DG U . . .
H182_4 H 1.460582 -0.408213 0.251475 0.165 Uiso 1 1 calc R U . . .
C183_4 C 1.5119(8) -0.3911(4) 0.2802(6) 0.124(12) Uani 1 1 d DG U . . .
H183_4 H 1.520540 -0.397203 0.305194 0.149 Uiso 1 1 calc R U . . .
N184_4 N 1.5303(6) -0.3743(3) 0.2665(5) 0.109(9) Uani 1 1 d DG U . . .
C185_4 C 1.5081(6) -0.3701(3) 0.2279(5) 0.109(11) Uani 1 1 d DG U . . .
C186_4 C 1.5642(7) -0.3628(5) 0.2848(8) 0.119(13) Uani 1 1 d D U . . .
H18A_4 H 1.575332 -0.368004 0.311111 0.179 Uiso 1 1 calc R U . . .
H18B_4 H 1.582315 -0.365263 0.271213 0.179 Uiso 1 1 calc R U . . .
H18C_4 H 1.558653 -0.347051 0.284837 0.179 Uiso 1 1 calc R U . . .
C187_4 C 1.5133(7) -0.3556(4) 0.2020(6) 0.100(11) Uani 1 1 d D U . . .
H187_4 H 1.534396 -0.345834 0.208843 0.120 Uiso 1 1 calc R U . . .
N188_4 N 1.4892(8) -0.3555(3) 0.1689(6) 0.094(9) Uani 1 1 d D U . . .
C189_4 C 1.4904(6) -0.3367(3) 0.1456(5) 0.094(10) Uani 1 1 d DG U . . .
C190_4 C 1.4824(6) -0.3394(3) 0.1066(6) 0.098(10) Uani 1 1 d DG U . . .
H190_4 H 1.477725 -0.353727 0.095741 0.117 Uiso 1 1 calc R U . . .
C191_4 C 1.4811(6) -0.3213(3) 0.0835(4) 0.086(10) Uani 1 1 d DG U . . .
H191_4 H 1.475660 -0.323196 0.056894 0.103 Uiso 1 1 calc R U . . .
C192_4 C 1.4879(5) -0.3004(3) 0.0994(5) 0.081(9) Uani 1 1 d DG U . . .
C193_4 C 1.4960(6) -0.2976(3) 0.1384(5) 0.084(10) Uani 1 1 d DG U . . .
H193_4 H 1.500598 -0.283346 0.149253 0.101 Uiso 1 1 calc R U . . .
C194_4 C 1.4972(6) -0.3158(3) 0.1615(4) 0.101(10) Uani 1 1 d DG U . . .
H194_4 H 1.502664 -0.313877 0.188101 0.121 Uiso 1 1 calc R U . . .
C195_4 C 1.4811(4) -0.2812(3) 0.0749(6) 0.078(9) Uani 1 1 d D U . . .
N196_4 N 1.4668(4) -0.2842(4) 0.0371(6) 0.087(8) Uani 1 1 d D U . . .
N201_4 N 1.3607(6) -0.2778(3) -0.2192(6) 0.091(9) Uani 1 1 d DG U . . .
C202_4 C 1.3460(6) -0.2849(4) -0.2577(5) 0.102(11) Uani 1 1 d DG U . . .
H202_4 H 1.326517 -0.277814 -0.277689 0.122 Uiso 1 1 calc R U . . .
C203_4 C 1.3654(7) -0.3044(4) -0.2611(5) 0.122(12) Uani 1 1 d DG U . . .
H203_4 H 1.361276 -0.312726 -0.283765 0.146 Uiso 1 1 calc R U . . .
N204_4 N 1.3922(6) -0.3094(3) -0.2247(6) 0.122(10) Uani 1 1 d DG U . . .
C205_4 C 1.3893(5) -0.2929(3) -0.1988(5) 0.089(10) Uani 1 1 d DG U . . .
C206_4 C 1.4180(8) -0.3270(4) -0.2137(9) 0.132(15) Uani 1 1 d D U . . .
H20A_4 H 1.415371 -0.336420 -0.235777 0.199 Uiso 1 1 calc R U . . .
H20B_4 H 1.444102 -0.321310 -0.203663 0.199 Uiso 1 1 calc R U . . .
H20C_4 H 1.412536 -0.335629 -0.193848 0.199 Uiso 1 1 calc R U . . .
C207_4 C 1.4084(7) -0.2901(4) -0.1609(5) 0.102(11) Uani 1 1 d D U . . .
H207_4 H 1.426348 -0.300668 -0.146630 0.122 Uiso 1 1 calc R U . . .
N208_4 N 1.4012(8) -0.2730(4) -0.1452(5) 0.094(9) Uani 1 1 d D U . . .
C209_4 C 1.4160(6) -0.2715(3) -0.1041(4) 0.091(10) Uani 1 1 d DG U . . .
C210_4 C 1.4172(6) -0.2899(3) -0.0818(6) 0.095(10) Uani 1 1 d DG U . . .
H210_4 H 1.407942 -0.303624 -0.093577 0.114 Uiso 1 1 calc R U . . .
C211_4 C 1.4319(6) -0.2884(3) -0.0423(5) 0.090(10) Uani 1 1 d DG U . . .
H211_4 H 1.432750 -0.301080 -0.027062 0.108 Uiso 1 1 calc R U . . .
C212_4 C 1.4455(5) -0.2684(3) -0.0250(4) 0.089(9) Uani 1 1 d DG U . . .
C213_4 C 1.4443(6) -0.2499(3) -0.0473(5) 0.105(10) Uani 1 1 d DG U . . .
H213_4 H 1.453550 -0.236253 -0.035525 0.126 Uiso 1 1 calc R U . . .
C214_4 C 1.4296(7) -0.2514(3) -0.0868(5) 0.089(10) Uani 1 1 d DG U . . .
H214_4 H 1.428742 -0.238798 -0.102039 0.107 Uiso 1 1 calc R U . . .
C215_4 C 1.4612(5) -0.2664(4) 0.0164(5) 0.093(9) Uani 1 1 d D U . . .
N216_4 N 1.4687(5) -0.2458(4) 0.0304(7) 0.090(8) Uani 1 1 d D U . . .
N221_4 N 1.5341(7) -0.1179(3) 0.1559(7) 0.136(11) Uani 1 1 d DG U . . .
C222_4 C 1.5462(9) -0.0956(3) 0.1608(8) 0.152(14) Uani 1 1 d DG U . . .
H222_4 H 1.542850 -0.085654 0.179018 0.182 Uiso 1 1 calc R U . . .
C223_4 C 1.5643(8) -0.0909(3) 0.1336(9) 0.166(14) Uani 1 1 d DG U . . .
H223_4 H 1.575102 -0.077163 0.130442 0.199 Uiso 1 1 calc R U . . .
N224_4 N 1.5633(6) -0.1102(4) 0.1119(7) 0.156(12) Uani 1 1 d DG U . . .
C225_4 C 1.5447(6) -0.1269(3) 0.1257(6) 0.143(12) Uani 1 1 d DG U . . .
C226_4 C 1.5777(11) -0.1135(6) 0.0817(10) 0.20(2) Uani 1 1 d D U . . .
H22A_4 H 1.559198 -0.108323 0.058494 0.294 Uiso 1 1 d R U . . .
H22B_4 H 1.581963 -0.128972 0.079454 0.294 Uiso 1 1 d R U . . .
H22C_4 H 1.601190 -0.105689 0.086469 0.294 Uiso 1 1 d R U . . .
C227_4 C 1.5363(10) -0.1482(3) 0.1151(9) 0.130(12) Uani 1 1 d D U . . .
H227_4 H 1.540984 -0.153975 0.093335 0.156 Uiso 1 1 calc R U . . .
N228_4 N 1.5222(8) -0.1602(3) 0.1347(7) 0.097(9) Uani 1 1 d D U . . .
C229_4 C 1.5101(6) -0.1819(3) 0.1192(6) 0.101(10) Uani 1 1 d DG U . . .
C230_4 C 1.4889(7) -0.1840(3) 0.0807(6) 0.101(10) Uani 1 1 d DG U . . .
H230_4 H 1.480566 -0.171281 0.065475 0.121 Uiso 1 1 calc R U . . .
C231_4 C 1.4799(6) -0.2048(3) 0.0646(5) 0.093(10) Uani 1 1 d DG U . . .
H231_4 H 1.465439 -0.206200 0.038285 0.111 Uiso 1 1 calc R U . . .
C232_4 C 1.4921(6) -0.2234(3) 0.0869(6) 0.088(9) Uani 1 1 d DG U . . .
C233_4 C 1.5133(6) -0.2213(3) 0.1254(6) 0.098(10) Uani 1 1 d DG U . . .
H233_4 H 1.521597 -0.234078 0.140640 0.117 Uiso 1 1 calc R U . . .
C234_4 C 1.5223(6) -0.2006(3) 0.1415(5) 0.094(10) Uani 1 1 d DG U . . .
H234_4 H 1.536724 -0.199158 0.167831 0.112 Uiso 1 1 calc R U . . .
C235_4 C 1.4832(5) -0.2450(3) 0.0695(7) 0.088(9) Uani 1 1 d D U . . .
N236_4 N 1.4902(5) -0.2623(4) 0.0932(8) 0.077(8) Uani 1 1 d D U . . .
B1_5 B 0.5917(11) 0.0146(6) 0.2433(11) 0.47(4) Uani 1 1 d G U . . .
F1_5 F 0.5544(12) 0.0139(10) 0.243(2) 0.50(4) Uani 1 1 d G U . . .
F2_5 F 0.6074(18) 0.0345(7) 0.257(2) 0.51(4) Uani 1 1 d G U . . .
F3_5 F 0.592(2) 0.0124(11) 0.2063(12) 0.51(4) Uani 1 1 d G U . . .
F4_5 F 0.6120(16) -0.0028(8) 0.2648(16) 0.45(3) Uani 1 1 d G U . . .
B1_6 B 0.1403(11) 0.0004(6) 0.7661(10) 0.38(4) Uani 1 1 d G U . . .
F1_6 F 0.1030(12) 0.0025(10) 0.7651(19) 0.45(3) Uani 1 1 d G U . . .
F2_6 F 0.1437(19) -0.0185(7) 0.7472(17) 0.46(3) Uani 1 1 d G U . . .
F3_6 F 0.1498(17) 0.0182(7) 0.7475(17) 0.43(3) Uani 1 1 d G U . . .
F4_6 F 0.1646(17) 0.0004(11) 0.8035(12) 0.47(3) Uani 1 1 d G U . . .
B1_7 B 1.3535(11) -0.2483(6) 0.0465(11) 0.38(4) Uani 1 1 d G U . . .
F1_7 F 1.3373(17) -0.2687(7) 0.0469(18) 0.45(3) Uani 1 1 d G U . . .
F2_7 F 1.3569(18) -0.2448(10) 0.0113(12) 0.44(3) Uani 1 1 d G U . . .
F3_7 F 1.3300(18) -0.2320(9) 0.053(2) 0.52(4) Uani 1 1 d G U . . .
F4_7 F 1.3884(13) -0.2471(11) 0.0755(14) 0.43(3) Uani 1 1 d G U . . .
B1_8 B 0.8379(11) -0.2652(6) -0.0025(10) 0.38(4) Uani 1 1 d G U . . .
F1_8 F 0.8543(18) -0.2469(8) 0.0186(16) 0.46(3) Uani 1 1 d G U . . .
F2_8 F 0.8644(16) -0.2753(9) -0.0153(19) 0.45(3) Uani 1 1 d G U . . .
F3_8 F 0.8269(18) -0.2800(8) 0.0204(15) 0.43(3) Uani 1 1 d G U . . .
F4_8 F 0.8057(15) -0.2590(11) -0.0323(15) 0.49(4) Uani 1 1 d G U . . .
B1_9 B 1.4796(6) -0.1436(3) 0.0023(6) 0.21(3) Uani 1 1 d G U . . .
F1_9 F 1.5184(6) -0.1475(5) 0.0144(10) 0.254(16) Uani 1 1 d G U . . .
F2_9 F 1.4705(10) -0.1336(5) 0.0312(8) 0.261(16) Uani 1 1 d G U . . .
F3_9 F 1.4598(9) -0.1634(5) -0.0063(9) 0.285(19) Uani 1 1 d G U . . .
F4_9 F 1.4692(10) -0.1309(5) -0.0305(8) 0.31(2) Uani 1 1 d G U . . .
B1_10 B 1.6616(6) -0.0681(3) 0.1084(6) 0.21(3) Uani 1 1 d G U . . .
F1_10 F 1.6559(9) -0.0612(5) 0.1416(6) 0.243(16) Uani 1 1 d G U . . .
F2_10 F 1.6955(8) -0.0793(5) 0.1177(10) 0.283(19) Uani 1 1 d G U . . .
F3_10 F 1.6637(9) -0.0499(4) 0.0865(9) 0.252(16) Uani 1 1 d G U . . .
F4_10 F 1.6311(8) -0.0808(5) 0.0872(8) 0.241(15) Uani 1 1 d G U . . .
B1_11 B 0.4590(6) -0.3628(3) -0.0043(6) 0.19(2) Uani 1 1 d G U . . .
F1_11 F 0.4401(9) -0.3429(3) -0.0119(9) 0.232(15) Uani 1 1 d G U . . .
F2_11 F 0.4824(9) -0.3646(5) -0.0260(10) 0.30(2) Uani 1 1 d G U . . .
F3_11 F 0.4817(8) -0.3637(5) 0.0340(7) 0.262(16) Uani 1 1 d G U . . .
F4_11 F 0.4328(7) -0.3798(3) -0.0114(9) 0.202(13) Uani 1 1 d G U . . .
B1_12 B -0.0399(6) 0.0591(3) 0.3395(6) 0.17(2) Uani 1 1 d G U . . .
F1_12 F -0.0425(10) 0.0817(3) 0.3407(9) 0.239(15) Uani 1 1 d G U . . .
F2_12 F -0.0054(8) 0.0535(5) 0.3363(10) 0.250(16) Uani 1 1 d G U . . .
F3_12 F -0.0419(9) 0.0500(4) 0.3732(8) 0.219(14) Uani 1 1 d G U . . .
F4_12 F -0.0702(9) 0.0509(5) 0.3096(8) 0.292(19) Uani 1 1 d G U . . .
B1_13 B 0.9318(6) -0.1899(3) -0.1374(6) 0.19(2) Uani 1 1 d G U . . .
F1_13 F 0.9033(8) -0.1981(5) -0.1688(8) 0.264(17) Uani 1 1 d G U . . .
F2_13 F 0.9662(7) -0.1983(4) -0.1369(8) 0.199(13) Uani 1 1 d G U . . .
F3_13 F 0.9255(9) -0.1966(4) -0.1041(7) 0.229(15) Uani 1 1 d G U . . .
F4_13 F 0.9313(9) -0.1672(3) -0.1384(9) 0.254(17) Uani 1 1 d G U . . .
B1_14 B 0.0958(6) 0.1065(3) 0.8864(6) 0.19(2) Uani 1 1 d G U . . .
F1_14 F 0.1243(8) 0.1175(5) 0.8777(10) 0.267(17) Uani 1 1 d G U . . .
F2_14 F 0.0635(7) 0.1192(5) 0.8759(9) 0.270(18) Uani 1 1 d G U . . .
F3_14 F 0.0874(9) 0.0868(4) 0.8661(8) 0.259(17) Uani 1 1 d G U . . .
F4_14 F 0.1081(9) 0.1015(4) 0.9249(6) 0.220(14) Uani 1 1 d G U . . .
B1_15 B 0.7021(6) -0.1832(3) 0.0695(6) 0.19(2) Uani 1 1 d G U . . .
F1_15 F 0.7356(7) -0.1881(5) 0.0629(9) 0.252(16) Uani 1 1 d G U . . .
F2_15 F 0.7105(9) -0.1724(5) 0.1037(7) 0.271(18) Uani 1 1 d G U . . .
F3_15 F 0.6828(10) -0.2026(4) 0.0715(9) 0.256(16) Uani 1 1 d G U . . .
F4_15 F 0.6787(8) -0.1708(4) 0.0395(7) 0.227(14) Uani 1 1 d G U . . .
B1_16 B 0.7886(6) 0.0470(3) 0.4333(6) 0.22(3) Uani 1 1 d G U . . .
F1_16 F 0.8026(10) 0.0372(5) 0.4688(6) 0.276(18) Uani 1 1 d G U . . .
F2_16 F 0.7720(10) 0.0667(5) 0.4367(11) 0.295(19) Uani 1 1 d G U . . .
F3_16 F 0.8184(7) 0.0511(5) 0.4195(8) 0.217(14) Uani 1 1 d G U . . .
F4_16 F 0.7630(8) 0.0330(5) 0.4080(8) 0.274(19) Uani 1 1 d G U . . .
B1_17 B 1.0268(6) -0.2964(3) 0.1975(6) 0.19(2) Uani 1 1 d G U . . .
F1_17 F 1.0296(10) -0.3157(4) 0.1789(9) 0.269(17) Uani 1 1 d G U . . .
F2_17 F 1.0620(6) -0.2865(5) 0.2105(9) 0.265(17) Uani 1 1 d G U . . .
F3_17 F 1.0013(8) -0.2822(4) 0.1723(7) 0.241(16) Uani 1 1 d G U . . .
F4_17 F 1.0130(8) -0.3011(4) 0.2269(7) 0.202(13) Uani 1 1 d G U . . .
B1_18 B 1.1372(6) -0.2435(3) -0.1097(6) 0.20(2) Uani 1 1 d G U . . .
F1_18 F 1.1253(10) -0.2533(4) -0.0820(8) 0.265(16) Uani 1 1 d G U . . .
F2_18 F 1.1224(10) -0.2550(4) -0.1432(7) 0.292(19) Uani 1 1 d G U . . .
F3_18 F 1.1768(6) -0.2443(5) -0.0986(9) 0.269(17) Uani 1 1 d G U . . .
F4_18 F 1.1262(8) -0.2217(3) -0.1137(8) 0.200(13) Uani 1 1 d G U . . .
B1_19 B 0.6663(10) 0.2044(5) 0.2243(10) 0.39(4) Uani 1 1 d G U . . .
F1_19 F 0.6403(15) 0.2158(9) 0.2364(17) 0.43(3) Uani 1 1 d G U . . .
F2_19 F 0.7022(12) 0.2074(8) 0.2502(13) 0.39(3) Uani 1 1 d G U . . .
F3_19 F 0.6579(18) 0.1820(5) 0.2226(18) 0.48(3) Uani 1 1 d G U . . .
F4_19 F 0.6637(17) 0.2113(9) 0.1881(10) 0.41(3) Uani 1 1 d G U . . .
B1_20 B 0.0898(6) -0.1127(3) 0.8688(6) 0.19(2) Uani 1 1 d G U . . .
F1_20 F 0.1284(7) -0.1139(6) 0.8892(9) 0.266(16) Uani 1 1 d G U . . .
F2_20 F 0.0696(10) -0.1162(5) 0.8932(9) 0.29(2) Uani 1 1 d G U . . .
F3_20 F 0.0799(10) -0.1291(4) 0.8411(8) 0.234(15) Uani 1 1 d G U . . .
F4_20 F 0.0813(9) -0.0926(3) 0.8506(9) 0.247(16) Uani 1 1 d G U . . .
B1_21 B 0.9841(6) -0.5065(3) 0.0491(6) 0.21(2) Uani 1 1 d G U . . .
F1_21 F 0.9491(7) -0.4961(5) 0.0345(10) 0.289(19) Uani 1 1 d G U . . .
F2_21 F 1.0101(8) -0.4957(4) 0.0366(10) 0.258(16) Uani 1 1 d G U . . .
F3_21 F 0.9810(8) -0.5281(3) 0.0358(8) 0.199(13) Uani 1 1 d G U . . .
F4_21 F 0.9952(10) -0.5071(5) 0.0885(6) 0.265(17) Uani 1 1 d G U . . .
B1_22 B 0.6631(5) -0.3479(3) 0.0379(5) 0.18(2) Uani 1 1 d G U . . .
F1_22 F 0.6559(8) -0.3432(5) 0.0712(7) 0.238(15) Uani 1 1 d G U . . .
F2_22 F 0.7008(5) -0.3437(3) 0.0432(6) 0.150(9) Uani 1 1 d G U . . .
F3_22 F 0.6562(8) -0.3701(3) 0.0289(9) 0.238(15) Uani 1 1 d G U . . .
F4_22 F 0.6389(7) -0.3357(4) 0.0082(7) 0.218(13) Uani 1 1 d G U . . .
B1_23 B 1.4116(11) -0.0713(5) 0.1190(10) 0.44(4) Uani 1 1 d G U . . .
F1_23 F 1.4343(17) -0.0845(10) 0.1053(17) 0.50(4) Uani 1 1 d G U . . .
F2_23 F 1.4238(16) -0.0727(7) 0.1581(10) 0.38(3) Uani 1 1 d G U . . .
F3_23 F 1.3739(11) -0.0786(9) 0.1049(15) 0.41(3) Uani 1 1 d G U . . .
F4_23 F 1.4126(19) -0.0499(6) 0.1067(16) 0.49(4) Uani 1 1 d G U . . .
B1_24 B 1.0676(8) -0.3888(6) 0.1095(10) 0.41(4) Uani 1 1 d G U . . .
F1_24 F 1.0766(16) -0.3762(8) 0.0828(15) 0.41(3) Uani 1 1 d G U . . .
F2_24 F 1.0579(13) -0.4096(6) 0.0952(14) 0.36(2) Uani 1 1 d G U . . .
F3_24 F 1.0993(11) -0.3904(10) 0.1426(12) 0.49(4) Uani 1 1 d G U . . .
F4_24 F 1.0385(11) -0.3788(9) 0.1190(19) 0.58(4) Uani 1 1 d DG U . . .
B1_25 B 1.0648(10) -0.3146(6) 0.0090(11) 0.47(4) Uani 1 1 d G U . . .
F1_25 F 1.0962(15) -0.3238(9) 0.0027(17) 0.46(3) Uani 1 1 d G U . . .
F2_25 F 1.0695(15) -0.3159(10) 0.0471(11) 0.42(3) Uani 1 1 d G U . . .
F3_25 F 1.0617(19) -0.2925(7) -0.0014(18) 0.46(3) Uani 1 1 d G U . . .
F4_25 F 1.0320(15) -0.3252(11) -0.0133(17) 0.54(4) Uani 1 1 d G U . . .
B1_26 B 1.5945(10) -0.3656(5) 0.1858(10) 0.46(4) Uani 1 1 d G U . . .
F1_26 F 1.6137(16) -0.3629(8) 0.2244(10) 0.42(3) Uani 1 1 d G U . . .
F2_26 F 1.5567(11) -0.3696(10) 0.1801(19) 0.53(4) Uani 1 1 d G U . . .
F3_26 F 1.5971(16) -0.3465(7) 0.1663(15) 0.40(3) Uani 1 1 d G U . . .
F4_26 F 1.6112(19) -0.3825(7) 0.1720(15) 0.45(3) Uani 1 1 d G U . . .
B1_27 B 0.6888(11) 0.1431(6) 0.4836(10) 0.46(4) Uani 1 1 d G U . . .
F1_27 F 0.6734(16) 0.1613(6) 0.4615(14) 0.41(3) Uani 1 1 d G U . . .
F2_27 F 0.6658(17) 0.1252(7) 0.4697(18) 0.48(3) Uani 1 1 d G U . . .
F3_27 F 0.7248(13) 0.1386(11) 0.4815(19) 0.47(3) Uani 1 1 d G U . . .
F4_27 F 0.693(2) 0.1473(11) 0.5213(11) 0.55(4) Uani 1 1 d G U . . .
B1_28 B 0.5379(10) -0.3308(5) -0.1565(10) 0.32(4) Uani 1 1 d G U . . .
F1_28 F 0.5140(16) -0.3419(9) -0.1412(16) 0.45(3) Uani 1 1 d G U . . .
F2_28 F 0.5564(15) -0.3144(7) -0.1319(13) 0.38(3) Uani 1 1 d G U . . .
F3_28 F 0.5652(14) -0.3452(8) -0.1610(16) 0.42(3) Uani 1 1 d G U . . .
F4_28 F 0.5170(14) -0.3226(9) -0.1921(11) 0.40(3) Uani 1 1 d G U . . .
B1_29 B 0.7586(12) -0.2125(6) -0.2993(11) 0.48(5) Uani 1 1 d G U . . .
F1_29 F 0.7655(18) -0.2312(7) -0.3171(12) 0.39(3) Uani 1 1 d G U . . .
F2_29 F 0.7924(16) -0.2050(10) -0.2739(17) 0.49(4) Uani 1 1 d G U . . .
F3_29 F 0.734(2) -0.2176(13) -0.279(2) 0.60(5) Uani 1 1 d G U . . .
F4_29 F 0.741(2) -0.1968(9) -0.3264(18) 0.58(4) Uani 1 1 d G U . . .
B1_30 B 0.2905(11) -0.0335(6) 0.1772(10) 0.47(5) Uani 1 1 d G U . . .
F1_30 F 0.3174(17) -0.0290(12) 0.2123(13) 0.54(4) Uani 1 1 d G U . . .
F2_30 F 0.3087(16) -0.0392(9) 0.1520(16) 0.42(3) Uani 1 1 d G U . . .
F3_30 F 0.2684(16) -0.0149(8) 0.1633(19) 0.46(3) Uani 1 1 d G U . . .
F4_30 F 0.2665(17) -0.0501(8) 0.181(2) 0.46(3) Uani 1 1 d G U . . .
B1_31 B 0.2890(14) -0.1146(7) 0.9971(13) 0.59(5) Uani 1 1 d G U . . .
F1_31 F 0.3138(16) -0.1076(12) 1.0320(17) 0.51(4) Uani 1 1 d G U . . .
F2_31 F 0.2526(13) -0.1149(12) 0.9985(18) 0.49(3) Uani 1 1 d G U . . .
F3_31 F 0.298(3) -0.1359(10) 0.990(3) 0.70(5) Uani 1 1 d G U . . .
F4_31 F 0.292(2) -0.1010(15) 0.968(2) 0.65(5) Uani 1 1 d G U . . .
B1_32 B 0.3401(10) 0.1284(5) 0.2329(10) 0.32(4) Uani 1 1 d G U . . .
F1_32 F 0.3068(13) 0.1210(9) 0.2061(14) 0.41(3) Uani 1 1 d G U . . .
F2_32 F 0.3617(15) 0.1390(6) 0.2147(15) 0.36(2) Uani 1 1 d G U . . .
F3_32 F 0.3314(15) 0.1434(7) 0.2571(13) 0.36(3) Uani 1 1 d G U . . .
F4_32 F 0.3594(17) 0.1110(7) 0.2548(16) 0.47(3) Uani 1 1 d G U . . .
B1_33 B 0.2122(11) 0.1709(5) 0.8139(10) 0.54(5) Uani 1 1 d G U . . .
F1_33 F 0.1885(18) 0.1773(9) 0.7781(13) 0.53(4) Uani 1 1 d G U . . .
F2_33 F 0.2164(18) 0.1484(5) 0.8144(17) 0.61(4) Uani 1 1 d DG U . . .
F3_33 F 0.2480(12) 0.1804(8) 0.8216(19) 0.43(3) Uani 1 1 d G U . . .
F4_33 F 0.1972(18) 0.1780(11) 0.8412(16) 0.48(3) Uani 1 1 d G U . . .
B1_34 B 0.3080(11) 0.0487(6) 0.5587(11) 0.41(4) Uani 1 1 d G U . . .
F1_34 F 0.3338(14) 0.0655(8) 0.5730(16) 0.42(3) Uani 1 1 d G U . . .
F2_34 F 0.2912(18) 0.0433(11) 0.5852(16) 0.48(4) Uani 1 1 d G U . . .
F3_34 F 0.2796(14) 0.0556(10) 0.5256(14) 0.45(3) Uani 1 1 d G U . . .
F4_34 F 0.3264(18) 0.0309(8) 0.549(2) 0.49(4) Uani 1 1 d G U . . .
B1_35 B 0.3855(10) -0.1279(5) 0.7968(11) 0.42(4) Uani 1 1 d G U . . .
F1_35 F 0.3881(19) -0.1291(9) 0.7606(12) 0.43(3) Uani 1 1 d G U . . .
F2_35 F 0.3580(15) -0.1128(8) 0.7966(19) 0.47(3) Uani 1 1 d G U . . .
F3_35 F 0.4202(13) -0.1209(10) 0.8226(16) 0.46(3) Uani 1 1 d G U . . .
F4_35 F 0.3776(17) -0.1485(6) 0.8080(16) 0.41(3) Uani 1 1 d G U . . .
B1_36 B 0.4419(11) 0.0740(6) -0.0665(11) 0.35(4) Uani 1 1 d G U . . .
F1_36 F 0.4671(16) 0.0705(10) -0.0300(12) 0.43(3) Uani 1 1 d G U . . .
F2_36 F 0.4053(12) 0.0723(11) -0.0661(18) 0.46(3) Uani 1 1 d G U . . .
F3_36 F 0.4470(19) 0.0952(7) -0.0784(18) 0.48(3) Uani 1 1 d G U . . .
F4_36 F 0.4492(17) 0.0592(9) -0.0914(15) 0.48(4) Uani 1 1 d G 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
Fe1_1 N141_1 2.07(2) . ?
Fe1_1 N201_1 2.090(19) . ?
Fe1_1 N1_1 2.089(18) . ?
Fe1_1 N148_1 2.24(2) . ?
Fe1_1 N8_1 2.25(2) . ?
Fe1_1 N208_1 2.25(2) . ?
Fe2_1 N61_1 2.10(2) . ?
Fe2_1 N21_1 2.126(19) . ?
Fe2_1 N221_1 2.16(2) . ?
Fe2_1 N228_1 2.24(2) . ?
Fe2_1 N28_1 2.29(2) . ?
Fe2_1 N68_1 2.30(2) . ?
Fe3_1 N81_1 2.129(19) . ?
Fe3_1 N121_1 2.166(19) . ?
Fe3_1 N41_1 2.19(2) . ?
Fe3_1 N48_1 2.23(2) . ?
Fe3_1 N128_1 2.26(2) . ?
Fe3_1 N88_1 2.29(2) . ?
Fe4_1 N101_1 2.09(2) . ?
Fe4_1 N181_1 2.11(2) . ?
Fe4_1 N161_1 2.22(2) . ?
Fe4_1 N168_1 2.23(2) . ?
Fe4_1 N188_1 2.28(2) . ?
Fe4_1 N108_1 2.30(2) . ?
N1_1 C5_1 1.4200 . ?
N1_1 C2_1 1.4200 . ?
C2_1 C3_1 1.4200 . ?
C2_1 H2_1 0.9500 . ?
C3_1 N4_1 1.4200 . ?
C3_1 H3_1 0.9500 . ?
N4_1 C6_1 1.405(12) . ?
N4_1 C5_1 1.4200 . ?
C5_1 C7_1 1.360(12) . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 N8_1 1.263(13) . ?
C7_1 H7_1 0.9500 . ?
N8_1 C9_1 1.441(11) . ?
C9_1 C10_1 1.3900 . ?
C9_1 C14_1 1.3900 . ?
C10_1 C11_1 1.3900 . ?
C10_1 H10_1 0.9500 . ?
C11_1 C12_1 1.3900 . ?
C11_1 H11_1 0.9500 . ?
C12_1 C13_1 1.3900 . ?
C12_1 C15_1 1.454(12) . ?
C13_1 C14_1 1.3900 . ?
C13_1 H13_1 0.9500 . ?
C14_1 H14_1 0.9500 . ?
C15_1 N16_1 1.341(13) . ?
C15_1 N56_1 1.36(3) . ?
N16_1 C35_1 1.35(3) . ?
N21_1 C25_1 1.4200 . ?
N21_1 C22_1 1.4200 . ?
C22_1 C23_1 1.4200 . ?
C22_1 H22_1 0.9500 . ?
C23_1 N24_1 1.4200 . ?
C23_1 H23_1 0.9500 . ?
N24_1 C26_1 1.403(12) . ?
N24_1 C25_1 1.4200 . ?
C25_1 C27_1 1.363(12) . ?
C26_1 H26A_1 0.9800 . ?
C26_1 H26B_1 0.9800 . ?
C26_1 H26C_1 0.9800 . ?
C27_1 N28_1 1.257(13) . ?
C27_1 H27_1 0.9500 . ?
N28_1 C29_1 1.446(11) . ?
C29_1 C30_1 1.3900 . ?
C29_1 C34_1 1.3900 . ?
C30_1 C31_1 1.3900 . ?
C30_1 H30_1 0.9500 . ?
C31_1 C32_1 1.3900 . ?
C31_1 H31_1 0.9500 . ?
C32_1 C33_1 1.3900 . ?
C32_1 C35_1 1.457(12) . ?
C33_1 C34_1 1.3900 . ?
C33_1 H33_1 0.9500 . ?
C34_1 H34_1 0.9500 . ?
C35_1 N36_1 1.338(13) . ?
N36_1 C55_1 1.29(3) . ?
N41_1 C45_1 1.4200 . ?
N41_1 C42_1 1.4200 . ?
C42_1 C43_1 1.4200 . ?
C42_1 H42_1 0.9500 . ?
C43_1 N44_1 1.4200 . ?
C43_1 H43_1 0.9500 . ?
N44_1 C46_1 1.405(12) . ?
N44_1 C45_1 1.4200 . ?
C45_1 C47_1 1.362(12) . ?
C46_1 H46A_1 0.9800 . ?
C46_1 H46B_1 0.9800 . ?
C46_1 H46C_1 0.9800 . ?
C47_1 N48_1 1.266(13) . ?
C47_1 H47_1 0.9500 . ?
N48_1 C49_1 1.453(11) . ?
C49_1 C50_1 1.3900 . ?
C49_1 C54_1 1.3900 . ?
C50_1 C51_1 1.3900 . ?
C50_1 H50_1 0.9500 . ?
C51_1 C52_1 1.3900 . ?
C51_1 H51_1 0.9500 . ?
C52_1 C53_1 1.3900 . ?
C52_1 C55_1 1.453(12) . ?
C53_1 C54_1 1.3900 . ?
C53_1 H53_1 0.9500 . ?
C54_1 H54_1 0.9500 . ?
C55_1 N56_1 1.343(13) . ?
N61_1 C62_1 1.4200 . ?
N61_1 C65_1 1.4200 . ?
C62_1 C63_1 1.4200 . ?
C62_1 H62_1 0.9500 . ?
C63_1 N64_1 1.4200 . ?
C63_1 H63_1 0.9500 . ?
N64_1 C66_1 1.405(12) . ?
N64_1 C65_1 1.4200 . ?
C65_1 C67_1 1.365(12) . ?
C66_1 H66A_1 0.9800 . ?
C66_1 H66B_1 0.9800 . ?
C66_1 H66C_1 0.9800 . ?
C67_1 N68_1 1.259(13) . ?
C67_1 H67_1 0.9500 . ?
N68_1 C69_1 1.437(11) . ?
C69_1 C70_1 1.3900 . ?
C69_1 C74_1 1.3900 . ?
C70_1 C71_1 1.3900 . ?
C70_1 H70_1 0.9500 . ?
C71_1 C72_1 1.3900 . ?
C71_1 H71_1 0.9500 . ?
C72_1 C73_1 1.3900 . ?
C72_1 C75_1 1.455(12) . ?
C73_1 C74_1 1.3900 . ?
C73_1 H73_1 0.9500 . ?
C74_1 H74_1 0.9500 . ?
C75_1 N116_1 1.34(3) . ?
C75_1 N76_1 1.345(13) . ?
N76_1 C95_1 1.34(3) . ?
N81_1 C82_1 1.4200 . ?
N81_1 C85_1 1.4200 . ?
C82_1 C83_1 1.4200 . ?
C82_1 H82_1 0.9500 . ?
C83_1 N84_1 1.4200 . ?
C83_1 H83_1 0.9500 . ?
N84_1 C86_1 1.407(12) . ?
N84_1 C85_1 1.4200 . ?
C85_1 C87_1 1.363(12) . ?
C86_1 H86A_1 0.9800 . ?
C86_1 H86B_1 0.9800 . ?
C86_1 H86C_1 0.9800 . ?
C87_1 N88_1 1.256(13) . ?
C87_1 H87_1 0.9500 . ?
N88_1 C89_1 1.436(11) . ?
C89_1 C90_1 1.3900 . ?
C89_1 C94_1 1.3900 . ?
C90_1 C91_1 1.3900 . ?
C90_1 H90_1 0.9500 . ?
C91_1 C92_1 1.3900 . ?
C91_1 H91_1 0.9500 . ?
C92_1 C93_1 1.3900 . ?
C92_1 C95_1 1.456(12) . ?
C93_1 C94_1 1.3900 . ?
C93_1 H93_1 0.9500 . ?
C94_1 H94_1 0.9500 . ?
C95_1 N96_1 1.345(13) . ?
N96_1 C115_1 1.38(3) . ?
N101_1 C102_1 1.4200 . ?
N101_1 C105_1 1.4200 . ?
C102_1 C103_1 1.4200 . ?
C102_1 H102_1 0.9500 . ?
C103_1 N104_1 1.4200 . ?
C103_1 H103_1 0.9500 . ?
N104_1 C106_1 1.405(12) . ?
N104_1 C105_1 1.4200 . ?
C105_1 C107_1 1.363(12) . ?
C106_1 H10A_1 0.9800 . ?
C106_1 H10B_1 0.9800 . ?
C106_1 H10C_1 0.9800 . ?
C107_1 N108_1 1.264(13) . ?
C107_1 H107_1 0.9500 . ?
N108_1 C109_1 1.439(11) . ?
C109_1 C110_1 1.3900 . ?
C109_1 C114_1 1.3900 . ?
C110_1 C111_1 1.3900 . ?
C110_1 H110_1 0.9500 . ?
C111_1 C112_1 1.3900 . ?
C111_1 H111_1 0.9500 . ?
C112_1 C113_1 1.3900 . ?
C112_1 C115_1 1.453(12) . ?
C113_1 C114_1 1.3900 . ?
C113_1 H113_1 0.9500 . ?
C114_1 H114_1 0.9500 . ?
C115_1 N116_1 1.342(13) . ?
N121_1 C125_1 1.4200 . ?
N121_1 C122_1 1.4200 . ?
C122_1 C123_1 1.4200 . ?
C122_1 H122_1 0.9500 . ?
C123_1 N124_1 1.4200 . ?
C123_1 H123_1 0.9500 . ?
N124_1 C126_1 1.401(12) . ?
N124_1 C125_1 1.4200 . ?
C125_1 C127_1 1.364(12) . ?
C126_1 H12A_1 0.9800 . ?
C126_1 H12B_1 0.9800 . ?
C126_1 H12C_1 0.9800 . ?
C127_1 N128_1 1.259(13) . ?
C127_1 H127_1 0.9500 . ?
N128_1 C129_1 1.452(11) . ?
C129_1 C130_1 1.3900 . ?
C129_1 C134_1 1.3900 . ?
C130_1 C131_1 1.3900 . ?
C130_1 H130_1 0.9500 . ?
C131_1 C132_1 1.3900 . ?
C131_1 H131_1 0.9500 . ?
C132_1 C133_1 1.3900 . ?
C132_1 C135_1 1.455(12) . ?
C133_1 C134_1 1.3900 . ?
C133_1 H133_1 0.9500 . ?
C134_1 H134_1 0.9500 . ?
C135_1 N136_1 1.339(13) . ?
C135_1 N176_1 1.36(3) . ?
N136_1 C155_1 1.35(3) . ?
N141_1 C142_1 1.4200 . ?
N141_1 C145_1 1.4200 . ?
C142_1 C143_1 1.4200 . ?
C142_1 H142_1 0.9500 . ?
C143_1 N144_1 1.4200 . ?
C143_1 H143_1 0.9500 . ?
N144_1 C146_1 1.401(12) . ?
N144_1 C145_1 1.4200 . ?
C145_1 C147_1 1.359(12) . ?
C146_1 H14A_1 0.9800 . ?
C146_1 H14B_1 0.9800 . ?
C146_1 H14C_1 0.9800 . ?
C147_1 N148_1 1.261(13) . ?
C147_1 H147_1 0.9500 . ?
N148_1 C149_1 1.446(11) . ?
C149_1 C150_1 1.3900 . ?
C149_1 C154_1 1.3900 . ?
C150_1 C151_1 1.3900 . ?
C150_1 H150_1 0.9500 . ?
C151_1 C152_1 1.3900 . ?
C151_1 H151_1 0.9500 . ?
C152_1 C153_1 1.3900 . ?
C152_1 C155_1 1.463(12) . ?
C153_1 C154_1 1.3900 . ?
C153_1 H153_1 0.9500 . ?
C154_1 H154_1 0.9500 . ?
C155_1 N156_1 1.340(13) . ?
N156_1 C175_1 1.33(3) . ?
N161_1 C162_1 1.4200 . ?
N161_1 C165_1 1.4200 . ?
C162_1 C163_1 1.4200 . ?
C162_1 H162_1 0.9500 . ?
C163_1 N164_1 1.4200 . ?
C163_1 H163_1 0.9500 . ?
N164_1 C166_1 1.407(12) . ?
N164_1 C165_1 1.4200 . ?
C165_1 C167_1 1.363(12) . ?
C166_1 H16A_1 0.9800 . ?
C166_1 H16B_1 0.9800 . ?
C166_1 H16C_1 0.9800 . ?
C167_1 N168_1 1.264(13) . ?
C167_1 H167_1 0.9500 . ?
N168_1 C169_1 1.452(11) . ?
C169_1 C170_1 1.3900 . ?
C169_1 C174_1 1.3900 . ?
C170_1 C171_1 1.3900 . ?
C170_1 H170_1 0.9500 . ?
C171_1 C172_1 1.3900 . ?
C171_1 H171_1 0.9500 . ?
C172_1 C173_1 1.3900 . ?
C172_1 C175_1 1.446(12) . ?
C173_1 C174_1 1.3900 . ?
C173_1 H173_1 0.9500 . ?
C174_1 H174_1 0.9500 . ?
C175_1 N176_1 1.338(13) . ?
N181_1 C182_1 1.4200 . ?
N181_1 C185_1 1.4200 . ?
C182_1 C183_1 1.4200 . ?
C182_1 H182_1 0.9500 . ?
C183_1 N184_1 1.4200 . ?
C183_1 H183_1 0.9500 . ?
N184_1 C186_1 1.403(12) . ?
N184_1 C185_1 1.4200 . ?
C185_1 C187_1 1.370(12) . ?
C186_1 H18A_1 0.9800 . ?
C186_1 H18B_1 0.9800 . ?
C186_1 H18C_1 0.9800 . ?
C187_1 N188_1 1.261(13) . ?
C187_1 H187_1 0.9500 . ?
N188_1 C189_1 1.447(11) . ?
C189_1 C190_1 1.3900 . ?
C189_1 C194_1 1.3900 . ?
C190_1 C191_1 1.3900 . ?
C190_1 H190_1 0.9500 . ?
C191_1 C192_1 1.3900 . ?
C191_1 H191_1 0.9500 . ?
C192_1 C193_1 1.3900 . ?
C192_1 C195_1 1.455(12) . ?
C193_1 C194_1 1.3900 . ?
C193_1 H193_1 0.9500 . ?
C194_1 H194_1 0.9500 . ?
C195_1 N236_1 1.32(3) . ?
C195_1 N196_1 1.342(13) . ?
N196_1 C215_1 1.34(3) . ?
N201_1 C202_1 1.4200 . ?
N201_1 C205_1 1.4200 . ?
C202_1 C203_1 1.4200 . ?
C202_1 H202_1 0.9500 . ?
C203_1 N204_1 1.4200 . ?
C203_1 H203_1 0.9500 . ?
N204_1 C206_1 1.410(12) . ?
N204_1 C205_1 1.4200 . ?
C205_1 C207_1 1.363(12) . ?
C206_1 H20A_1 0.9800 . ?
C206_1 H20B_1 0.9800 . ?
C206_1 H20C_1 0.9800 . ?
C207_1 N208_1 1.258(13) . ?
C207_1 H207_1 0.9500 . ?
N208_1 C209_1 1.448(11) . ?
C209_1 C210_1 1.3900 . ?
C209_1 C214_1 1.3900 . ?
C210_1 C211_1 1.3900 . ?
C210_1 H210_1 0.9500 . ?
C211_1 C212_1 1.3900 . ?
C211_1 H211_1 0.9500 . ?
C212_1 C213_1 1.3900 . ?
C212_1 C215_1 1.459(12) . ?
C213_1 C214_1 1.3900 . ?
C213_1 H213_1 0.9500 . ?
C214_1 H214_1 0.9500 . ?
C215_1 N216_1 1.342(13) . ?
N216_1 C235_1 1.32(3) . ?
N221_1 C225_1 1.4200 . ?
N221_1 C222_1 1.4200 . ?
C222_1 C223_1 1.4200 . ?
C222_1 H222_1 0.9500 . ?
C223_1 N224_1 1.4200 . ?
C223_1 H223_1 0.9500 . ?
N224_1 C226_1 1.406(12) . ?
N224_1 C225_1 1.4200 . ?
C225_1 C227_1 1.361(12) . ?
C226_1 H22A_1 0.9800 . ?
C226_1 H22B_1 0.9800 . ?
C226_1 H22C_1 0.9800 . ?
C227_1 N228_1 1.268(13) . ?
C227_1 H227_1 0.9500 . ?
N228_1 C229_1 1.451(11) . ?
C229_1 C230_1 1.3900 . ?
C229_1 C234_1 1.3900 . ?
C230_1 C231_1 1.3900 . ?
C230_1 H230_1 0.9500 . ?
C231_1 C232_1 1.3900 . ?
C231_1 H231_1 0.9500 . ?
C232_1 C233_1 1.3900 . ?
C232_1 C235_1 1.451(12) . ?
C233_1 C234_1 1.3900 . ?
C233_1 H233_1 0.9500 . ?
C234_1 H234_1 0.9500 . ?
C235_1 N236_1 1.336(13) . ?
Fe1_2 N1_2 2.082(19) . ?
Fe1_2 N141_2 2.14(2) . ?
Fe1_2 N201_2 2.15(2) . ?
Fe1_2 N208_2 2.20(2) . ?
Fe1_2 N8_2 2.26(2) . ?
Fe1_2 N148_2 2.27(2) . ?
Fe2_2 N21_2 2.133(19) . ?
Fe2_2 N221_2 2.18(2) . ?
Fe2_2 N61_2 2.19(2) . ?
Fe2_2 N68_2 2.25(2) . ?
Fe2_2 N228_2 2.27(2) . ?
Fe2_2 N28_2 2.33(2) . ?
Fe3_2 N41_2 2.07(2) . ?
Fe3_2 N81_2 2.16(2) . ?
Fe3_2 N121_2 2.20(2) . ?
Fe3_2 N128_2 2.23(2) . ?
Fe3_2 N88_2 2.25(2) . ?
Fe3_2 N48_2 2.25(2) . ?
Fe4_2 N181_2 2.08(2) . ?
Fe4_2 N161_2 2.085(19) . ?
Fe4_2 N101_2 2.086(18) . ?
Fe4_2 N168_2 2.23(2) . ?
Fe4_2 N188_2 2.25(2) . ?
Fe4_2 N108_2 2.26(2) . ?
N1_2 C5_2 1.4200 . ?
N1_2 C2_2 1.4200 . ?
C2_2 C3_2 1.4200 . ?
C2_2 H2_2 0.9500 . ?
C3_2 N4_2 1.4200 . ?
C3_2 H3_2 0.9500 . ?
N4_2 C6_2 1.402(12) . ?
N4_2 C5_2 1.4200 . ?
C5_2 C7_2 1.364(12) . ?
C6_2 H6A_2 0.9800 . ?
C6_2 H6B_2 0.9800 . ?
C6_2 H6C_2 0.9800 . ?
C7_2 N8_2 1.263(13) . ?
C7_2 H7_2 0.9500 . ?
N8_2 C9_2 1.439(11) . ?
C9_2 C10_2 1.3900 . ?
C9_2 C14_2 1.3900 . ?
C10_2 C11_2 1.3900 . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.3900 . ?
C11_2 H11_2 0.9500 . ?
C12_2 C13_2 1.3900 . ?
C12_2 C15_2 1.457(12) . ?
C13_2 C14_2 1.3900 . ?
C13_2 H13_2 0.9500 . ?
C14_2 H14_2 0.9500 . ?
C15_2 N16_2 1.341(13) . ?
C15_2 N56_2 1.38(3) . ?
N16_2 C35_2 1.38(3) . ?
N21_2 C22_2 1.4200 . ?
N21_2 C25_2 1.4200 . ?
C22_2 C23_2 1.4200 . ?
C22_2 H22_2 0.9500 . ?
C23_2 N24_2 1.4200 . ?
C23_2 H23_2 0.9500 . ?
N24_2 C26_2 1.403(12) . ?
N24_2 C25_2 1.4200 . ?
C25_2 C27_2 1.362(12) . ?
C26_2 H26A_2 0.9800 . ?
C26_2 H26B_2 0.9800 . ?
C26_2 H26C_2 0.9800 . ?
C27_2 N28_2 1.260(13) . ?
C27_2 H27_2 0.9500 . ?
N28_2 C29_2 1.440(11) . ?
C29_2 C30_2 1.3900 . ?
C29_2 C34_2 1.3900 . ?
C30_2 C31_2 1.3900 . ?
C30_2 H30_2 0.9500 . ?
C31_2 C32_2 1.3900 . ?
C31_2 H31_2 0.9500 . ?
C32_2 C33_2 1.3900 . ?
C32_2 C35_2 1.452(12) . ?
C33_2 C34_2 1.3900 . ?
C33_2 H33_2 0.9500 . ?
C34_2 H34_2 0.9500 . ?
C35_2 N36_2 1.337(13) . ?
N36_2 C55_2 1.31(3) . ?
N41_2 C42_2 1.4200 . ?
N41_2 C45_2 1.4200 . ?
C42_2 C43_2 1.4200 . ?
C42_2 H42_2 0.9500 . ?
C43_2 N44_2 1.4200 . ?
C43_2 H43_2 0.9500 . ?
N44_2 C46_2 1.407(12) . ?
N44_2 C45_2 1.4200 . ?
C45_2 C47_2 1.364(12) . ?
C46_2 H46A_2 0.9800 . ?
C46_2 H46B_2 0.9800 . ?
C46_2 H46C_2 0.9800 . ?
C47_2 N48_2 1.259(13) . ?
C47_2 H47_2 0.9500 . ?
N48_2 C49_2 1.438(11) . ?
C49_2 C50_2 1.3900 . ?
C49_2 C54_2 1.3900 . ?
C50_2 C51_2 1.3900 . ?
C50_2 H50_2 0.9500 . ?
C51_2 C52_2 1.3900 . ?
C51_2 H51_2 0.9500 . ?
C52_2 C53_2 1.3900 . ?
C52_2 C55_2 1.452(12) . ?
C53_2 C54_2 1.3900 . ?
C53_2 H53_2 0.9500 . ?
C54_2 H54_2 0.9500 . ?
C55_2 N56_2 1.340(13) . ?
N61_2 C62_2 1.4200 . ?
N61_2 C65_2 1.4200 . ?
C62_2 C63_2 1.4200 . ?
C62_2 H62_2 0.9500 . ?
C63_2 N64_2 1.4200 . ?
C63_2 H63_2 0.9500 . ?
N64_2 C66_2 1.406(12) . ?
N64_2 C65_2 1.4200 . ?
C65_2 C67_2 1.362(12) . ?
C66_2 H66A_2 0.9800 . ?
C66_2 H66B_2 0.9800 . ?
C66_2 H66C_2 0.9800 . ?
C67_2 N68_2 1.261(13) . ?
C67_2 H67_2 0.9500 . ?
N68_2 C69_2 1.446(11) . ?
C69_2 C70_2 1.3900 . ?
C69_2 C74_2 1.3900 . ?
C70_2 C71_2 1.3900 . ?
C70_2 H70_2 0.9500 . ?
C71_2 C72_2 1.3900 . ?
C71_2 H71_2 0.9500 . ?
C72_2 C73_2 1.3900 . ?
C72_2 C75_2 1.446(12) . ?
C73_2 C74_2 1.3900 . ?
C73_2 H73_2 0.9500 . ?
C74_2 H74_2 0.9500 . ?
C75_2 N76_2 1.334(13) . ?
C75_2 N116_2 1.38(3) . ?
N76_2 C95_2 1.35(3) . ?
N81_2 C82_2 1.4200 . ?
N81_2 C85_2 1.4200 . ?
C82_2 C83_2 1.4200 . ?
C82_2 H82_2 0.9500 . ?
C83_2 N84_2 1.4200 . ?
C83_2 H83_2 0.9500 . ?
N84_2 C86_2 1.410(12) . ?
N84_2 C85_2 1.4200 . ?
C85_2 C87_2 1.365(12) . ?
C86_2 H86A_2 0.9800 . ?
C86_2 H86B_2 0.9800 . ?
C86_2 H86C_2 0.9800 . ?
C87_2 N88_2 1.262(13) . ?
C87_2 H87_2 0.9500 . ?
N88_2 C89_2 1.447(11) . ?
C89_2 C90_2 1.3900 . ?
C89_2 C94_2 1.3900 . ?
C90_2 C91_2 1.3900 . ?
C90_2 H90_2 0.9500 . ?
C91_2 C92_2 1.3900 . ?
C91_2 H91_2 0.9500 . ?
C92_2 C93_2 1.3900 . ?
C92_2 C95_2 1.458(12) . ?
C93_2 C94_2 1.3900 . ?
C93_2 H93_2 0.9500 . ?
C94_2 H94_2 0.9500 . ?
C95_2 N96_2 1.339(13) . ?
N96_2 C115_2 1.36(3) . ?
N101_2 C105_2 1.4200 . ?
N101_2 C102_2 1.4200 . ?
C102_2 C103_2 1.4200 . ?
C102_2 H102_2 0.9500 . ?
C103_2 N104_2 1.4200 . ?
C103_2 H103_2 0.9500 . ?
N104_2 C106_2 1.401(12) . ?
N104_2 C105_2 1.4200 . ?
C105_2 C107_2 1.361(12) . ?
C106_2 H10A_2 0.9800 . ?
C106_2 H10B_2 0.9800 . ?
C106_2 H10C_2 0.9800 . ?
C107_2 N108_2 1.256(13) . ?
C107_2 H107_2 0.9500 . ?
N108_2 C109_2 1.446(11) . ?
C109_2 C110_2 1.3900 . ?
C109_2 C114_2 1.3900 . ?
C110_2 C111_2 1.3900 . ?
C110_2 H110_2 0.9500 . ?
C111_2 C112_2 1.3900 . ?
C111_2 H111_2 0.9500 . ?
C112_2 C113_2 1.3900 . ?
C112_2 C115_2 1.464(12) . ?
C113_2 C114_2 1.3900 . ?
C113_2 H113_2 0.9500 . ?
C114_2 H114_2 0.9500 . ?
C115_2 N116_2 1.345(13) . ?
N121_2 C122_2 1.4200 . ?
N121_2 C125_2 1.4200 . ?
C122_2 C123_2 1.4200 . ?
C122_2 H122_2 0.9500 . ?
C123_2 N124_2 1.4200 . ?
C123_2 H123_2 0.9500 . ?
N124_2 C126_2 1.409(12) . ?
N124_2 C125_2 1.4200 . ?
C125_2 C127_2 1.363(12) . ?
C126_2 H12A_2 0.9800 . ?
C126_2 H12B_2 0.9800 . ?
C126_2 H12C_2 0.9800 . ?
C127_2 N128_2 1.265(13) . ?
C127_2 H127_2 0.9500 . ?
N128_2 C129_2 1.450(11) . ?
C129_2 C130_2 1.3900 . ?
C129_2 C134_2 1.3900 . ?
C130_2 C131_2 1.3900 . ?
C130_2 H130_2 0.9500 . ?
C131_2 C132_2 1.3900 . ?
C131_2 H131_2 0.9500 . ?
C132_2 C133_2 1.3900 . ?
C132_2 C135_2 1.449(12) . ?
C133_2 C134_2 1.3900 . ?
C133_2 H133_2 0.9500 . ?
C134_2 H134_2 0.9500 . ?
C135_2 N136_2 1.336(13) . ?
C135_2 N176_2 1.38(3) . ?
N136_2 C155_2 1.34(3) . ?
N141_2 C142_2 1.4200 . ?
N141_2 C145_2 1.4200 . ?
C142_2 C143_2 1.4200 . ?
C142_2 H142_2 0.9500 . ?
C143_2 N144_2 1.4200 . ?
C143_2 H143_2 0.9500 . ?
N144_2 C146_2 1.408(12) . ?
N144_2 C145_2 1.4200 . ?
C145_2 C147_2 1.362(12) . ?
C146_2 H14A_2 0.9800 . ?
C146_2 H14B_2 0.9800 . ?
C146_2 H14C_2 0.9800 . ?
C147_2 N148_2 1.262(13) . ?
C147_2 H147_2 0.9500 . ?
N148_2 C149_2 1.450(11) . ?
C149_2 C150_2 1.3900 . ?
C149_2 C154_2 1.3900 . ?
C150_2 C151_2 1.3900 . ?
C150_2 H150_2 0.9500 . ?
C151_2 C152_2 1.3900 . ?
C151_2 H151_2 0.9500 . ?
C152_2 C153_2 1.3900 . ?
C152_2 C155_2 1.457(12) . ?
C153_2 C154_2 1.3900 . ?
C153_2 H153_2 0.9500 . ?
C154_2 H154_2 0.9500 . ?
C155_2 N156_2 1.341(13) . ?
N156_2 C175_2 1.35(3) . ?
N161_2 C165_2 1.4200 . ?
N161_2 C162_2 1.4200 . ?
C162_2 C163_2 1.4200 . ?
C162_2 H162_2 0.9500 . ?
C163_2 N164_2 1.4200 . ?
C163_2 H163_2 0.9500 . ?
N164_2 C166_2 1.408(12) . ?
N164_2 C165_2 1.4200 . ?
C165_2 C167_2 1.364(12) . ?
C166_2 H16A_2 0.9800 . ?
C166_2 H16B_2 0.9800 . ?
C166_2 H16C_2 0.9800 . ?
C167_2 N168_2 1.259(13) . ?
C167_2 H167_2 0.9500 . ?
N168_2 C169_2 1.442(11) . ?
C169_2 C170_2 1.3900 . ?
C169_2 C174_2 1.3900 . ?
C170_2 C171_2 1.3900 . ?
C170_2 H170_2 0.9500 . ?
C171_2 C172_2 1.3900 . ?
C171_2 H171_2 0.9500 . ?
C172_2 C173_2 1.3900 . ?
C172_2 C175_2 1.457(12) . ?
C173_2 C174_2 1.3900 . ?
C173_2 H173_2 0.9500 . ?
C174_2 H174_2 0.9500 . ?
C175_2 N176_2 1.345(13) . ?
N181_2 C185_2 1.4200 . ?
N181_2 C182_2 1.4200 . ?
C182_2 C183_2 1.4200 . ?
C182_2 H182_2 0.9500 . ?
C183_2 N184_2 1.4200 . ?
C183_2 H183_2 0.9500 . ?
N184_2 C186_2 1.403(12) . ?
N184_2 C185_2 1.4200 . ?
C185_2 C187_2 1.358(12) . ?
C186_2 H18A_2 0.9800 . ?
C186_2 H18B_2 0.9800 . ?
C186_2 H18C_2 0.9800 . ?
C187_2 N188_2 1.256(13) . ?
C187_2 H187_2 0.9500 . ?
N188_2 C189_2 1.447(11) . ?
C189_2 C190_2 1.3900 . ?
C189_2 C194_2 1.3900 . ?
C190_2 C191_2 1.3900 . ?
C190_2 H190_2 0.9500 . ?
C191_2 C192_2 1.3900 . ?
C191_2 H191_2 0.9500 . ?
C192_2 C193_2 1.3900 . ?
C192_2 C195_2 1.463(12) . ?
C193_2 C194_2 1.3900 . ?
C193_2 H193_2 0.9500 . ?
C194_2 H194_2 0.9500 . ?
C195_2 N196_2 1.348(13) . ?
C195_2 N236_2 1.38(3) . ?
N196_2 C215_2 1.39(3) . ?
N201_2 C205_2 1.4200 . ?
N201_2 C202_2 1.4200 . ?
C202_2 C203_2 1.4200 . ?
C202_2 H202_2 0.9500 . ?
C203_2 N204_2 1.4200 . ?
C203_2 H203_2 0.9500 . ?
N204_2 C206_2 1.405(12) . ?
N204_2 C205_2 1.4200 . ?
C205_2 C207_2 1.364(12) . ?
C206_2 H20A_2 0.9800 . ?
C206_2 H20B_2 0.9800 . ?
C206_2 H20C_2 0.9800 . ?
C207_2 N208_2 1.269(13) . ?
C207_2 H207_2 0.9500 . ?
N208_2 C209_2 1.456(11) . ?
C209_2 C210_2 1.3900 . ?
C209_2 C214_2 1.3900 . ?
C210_2 C211_2 1.3900 . ?
C210_2 H210_2 0.9500 . ?
C211_2 C212_2 1.3900 . ?
C211_2 H211_2 0.9500 . ?
C212_2 C213_2 1.3900 . ?
C212_2 C215_2 1.451(12) . ?
C213_2 C214_2 1.3900 . ?
C213_2 H213_2 0.9500 . ?
C214_2 H214_2 0.9500 . ?
C215_2 N216_2 1.337(13) . ?
N216_2 C235_2 1.37(3) . ?
N221_2 C222_2 1.4200 . ?
N221_2 C225_2 1.4200 . ?
C222_2 C223_2 1.4200 . ?
C222_2 H222_2 0.9500 . ?
C223_2 N224_2 1.4200 . ?
C223_2 H223_2 0.9500 . ?
N224_2 C226_2 1.404(12) . ?
N224_2 C225_2 1.4200 . ?
C225_2 C227_2 1.367(12) . ?
C226_2 H22A_2 0.9800 . ?
C226_2 H22B_2 0.9800 . ?
C226_2 H22C_2 0.9800 . ?
C227_2 N228_2 1.263(13) . ?
C227_2 H227_2 0.9500 . ?
N228_2 C229_2 1.449(11) . ?
C229_2 C230_2 1.3900 . ?
C229_2 C234_2 1.3900 . ?
C230_2 C231_2 1.3900 . ?
C230_2 H230_2 0.9500 . ?
C231_2 C232_2 1.3900 . ?
C231_2 H231_2 0.9500 . ?
C232_2 C233_2 1.3900 . ?
C232_2 C235_2 1.451(12) . ?
C233_2 C234_2 1.3900 . ?
C233_2 H233_2 0.9500 . ?
C234_2 H234_2 0.9500 . ?
C235_2 N236_2 1.339(13) . ?
Fe1_3 N201_3 2.097(19) . ?
Fe1_3 N1_3 2.108(19) . ?
Fe1_3 N141_3 2.21(2) . ?
Fe1_3 N148_3 2.24(2) . ?
Fe1_3 N8_3 2.27(2) . ?
Fe1_3 N208_3 2.29(2) . ?
Fe2_3 N221_3 2.095(19) . ?
Fe2_3 N61_3 2.10(2) . ?
Fe2_3 N21_3 2.19(2) . ?
Fe2_3 N28_3 2.24(2) . ?
Fe2_3 N228_3 2.28(2) . ?
Fe2_3 N68_3 2.30(2) . ?
Fe3_3 N81_3 2.090(18) . ?
Fe3_3 N121_3 2.107(18) . ?
Fe3_3 N41_3 2.13(2) . ?
Fe3_3 N88_3 2.24(2) . ?
Fe3_3 N128_3 2.24(2) . ?
Fe3_3 N48_3 2.25(2) . ?
Fe4_3 N181_3 2.10(2) . ?
Fe4_3 N161_3 2.12(2) . ?
Fe4_3 N108_3 2.21(2) . ?
Fe4_3 N101_3 2.24(2) . ?
Fe4_3 N168_3 2.25(2) . ?
Fe4_3 N188_3 2.29(2) . ?
N1_3 C2_3 1.4200 . ?
N1_3 C5_3 1.4200 . ?
C2_3 C3_3 1.4200 . ?
C2_3 H2_3 0.9500 . ?
C3_3 N4_3 1.4200 . ?
C3_3 H3_3 0.9500 . ?
N4_3 C6_3 1.406(12) . ?
N4_3 C5_3 1.4200 . ?
C5_3 C7_3 1.362(12) . ?
C6_3 H6A_3 0.9800 . ?
C6_3 H6B_3 0.9800 . ?
C6_3 H6C_3 0.9800 . ?
C7_3 N8_3 1.268(13) . ?
C7_3 H7_3 0.9500 . ?
N8_3 C9_3 1.451(11) . ?
C9_3 C10_3 1.3900 . ?
C9_3 C14_3 1.3900 . ?
C10_3 C11_3 1.3900 . ?
C10_3 H10_3 0.9500 . ?
C11_3 C12_3 1.3900 . ?
C11_3 H11_3 0.9500 . ?
C12_3 C13_3 1.3900 . ?
C12_3 C15_3 1.453(12) . ?
C13_3 C14_3 1.3900 . ?
C13_3 H13_3 0.9500 . ?
C14_3 H14_3 0.9500 . ?
C15_3 N16_3 1.341(13) . ?
C15_3 N36_3 1.34(3) . ?
N16_3 C55_3 1.34(3) . ?
N21_3 C25_3 1.4200 . ?
N21_3 C22_3 1.4200 . ?
C22_3 C23_3 1.4200 . ?
C22_3 H22_3 0.9500 . ?
C23_3 N24_3 1.4200 . ?
C23_3 H23_3 0.9500 . ?
N24_3 C26_3 1.406(12) . ?
N24_3 C25_3 1.4200 . ?
C25_3 C27_3 1.365(12) . ?
C26_3 H26A_3 0.9800 . ?
C26_3 H26B_3 0.9800 . ?
C26_3 H26C_3 0.9800 . ?
C27_3 N28_3 1.265(13) . ?
C27_3 H27_3 0.9500 . ?
N28_3 C29_3 1.449(11) . ?
C29_3 C30_3 1.3900 . ?
C29_3 C34_3 1.3900 . ?
C30_3 C31_3 1.3900 . ?
C30_3 H30_3 0.9500 . ?
C31_3 C32_3 1.3900 . ?
C31_3 H31_3 0.9500 . ?
C32_3 C33_3 1.3900 . ?
C32_3 C35_3 1.452(12) . ?
C33_3 C34_3 1.3900 . ?
C33_3 H33_3 0.9500 . ?
C34_3 H34_3 0.9500 . ?
C35_3 N56_3 1.33(3) . ?
C35_3 N36_3 1.339(13) . ?
N41_3 C42_3 1.4200 . ?
N41_3 C45_3 1.4200 . ?
C42_3 C43_3 1.4200 . ?
C42_3 H42_3 0.9500 . ?
C43_3 N44_3 1.4200 . ?
C43_3 H43_3 0.9500 . ?
N44_3 C46_3 1.405(12) . ?
N44_3 C45_3 1.4200 . ?
C45_3 C47_3 1.360(12) . ?
C46_3 H46A_3 0.9800 . ?
C46_3 H46B_3 0.9800 . ?
C46_3 H46C_3 0.9800 . ?
C47_3 N48_3 1.261(13) . ?
C47_3 H47_3 0.9500 . ?
N48_3 C49_3 1.445(11) . ?
C49_3 C50_3 1.3900 . ?
C49_3 C54_3 1.3900 . ?
C50_3 C51_3 1.3900 . ?
C50_3 H50_3 0.9500 . ?
C51_3 C52_3 1.3900 . ?
C51_3 H51_3 0.9500 . ?
C52_3 C53_3 1.3900 . ?
C52_3 C55_3 1.463(12) . ?
C53_3 C54_3 1.3900 . ?
C53_3 H53_3 0.9500 . ?
C54_3 H54_3 0.9500 . ?
C55_3 N56_3 1.348(13) . ?
N61_3 C65_3 1.4200 . ?
N61_3 C62_3 1.4200 . ?
C62_3 C63_3 1.4200 . ?
C62_3 H62_3 0.9500 . ?
C63_3 N64_3 1.4200 . ?
C63_3 H63_3 0.9500 . ?
N64_3 C66_3 1.404(12) . ?
N64_3 C65_3 1.4200 . ?
C65_3 C67_3 1.368(12) . ?
C66_3 H66A_3 0.9800 . ?
C66_3 H66B_3 0.9800 . ?
C66_3 H66C_3 0.9800 . ?
C67_3 N68_3 1.261(13) . ?
C67_3 H67_3 0.9500 . ?
N68_3 C69_3 1.444(11) . ?
C69_3 C70_3 1.3900 . ?
C69_3 C74_3 1.3900 . ?
C70_3 C71_3 1.3900 . ?
C70_3 H70_3 0.9500 . ?
C71_3 C72_3 1.3900 . ?
C71_3 H71_3 0.9500 . ?
C72_3 C73_3 1.3900 . ?
C72_3 C75_3 1.454(12) . ?
C73_3 C74_3 1.3900 . ?
C73_3 H73_3 0.9500 . ?
C74_3 H74_3 0.9500 . ?
C75_3 N76_3 1.339(13) . ?
C75_3 N116_3 1.38(3) . ?
N76_3 C95_3 1.36(3) . ?
N81_3 C82_3 1.4200 . ?
N81_3 C85_3 1.4200 . ?
C82_3 C83_3 1.4200 . ?
C82_3 H82_3 0.9500 . ?
C83_3 N84_3 1.4200 . ?
C83_3 H83_3 0.9500 . ?
N84_3 C86_3 1.409(12) . ?
N84_3 C85_3 1.4200 . ?
C85_3 C87_3 1.362(12) . ?
C86_3 H86A_3 0.9800 . ?
C86_3 H86B_3 0.9800 . ?
C86_3 H86C_3 0.9800 . ?
C87_3 N88_3 1.258(13) . ?
C87_3 H87_3 0.9500 . ?
N88_3 C89_3 1.446(11) . ?
C89_3 C90_3 1.3900 . ?
C89_3 C94_3 1.3900 . ?
C90_3 C91_3 1.3900 . ?
C90_3 H90_3 0.9500 . ?
C91_3 C92_3 1.3900 . ?
C91_3 H91_3 0.9500 . ?
C92_3 C93_3 1.3900 . ?
C92_3 C95_3 1.458(12) . ?
C93_3 C94_3 1.3900 . ?
C93_3 H93_3 0.9500 . ?
C94_3 H94_3 0.9500 . ?
C95_3 N96_3 1.343(13) . ?
N96_3 C115_3 1.33(3) . ?
N101_3 C102_3 1.4200 . ?
N101_3 C105_3 1.4200 . ?
C102_3 C103_3 1.4200 . ?
C102_3 H102_3 0.9500 . ?
C103_3 N104_3 1.4200 . ?
C103_3 H103_3 0.9500 . ?
N104_3 C106_3 1.409(12) . ?
N104_3 C105_3 1.4200 . ?
C105_3 C107_3 1.358(12) . ?
C106_3 H10A_3 0.9800 . ?
C106_3 H10B_3 0.9800 . ?
C106_3 H10C_3 0.9800 . ?
C107_3 N108_3 1.264(13) . ?
C107_3 H107_3 0.9500 . ?
N108_3 C109_3 1.457(11) . ?
C109_3 C110_3 1.3900 . ?
C109_3 C114_3 1.3900 . ?
C110_3 C111_3 1.3900 . ?
C110_3 H110_3 0.9500 . ?
C111_3 C112_3 1.3900 . ?
C111_3 H111_3 0.9500 . ?
C112_3 C113_3 1.3900 . ?
C112_3 C115_3 1.453(12) . ?
C113_3 C114_3 1.3900 . ?
C113_3 H113_3 0.9500 . ?
C114_3 H114_3 0.9500 . ?
C115_3 N116_3 1.337(13) . ?
N121_3 C122_3 1.4200 . ?
N121_3 C125_3 1.4200 . ?
C122_3 C123_3 1.4200 . ?
C122_3 H122_3 0.9500 . ?
C123_3 N124_3 1.4200 . ?
C123_3 H123_3 0.9500 . ?
N124_3 C126_3 1.405(12) . ?
N124_3 C125_3 1.4200 . ?
C125_3 C127_3 1.361(12) . ?
C126_3 H12A_3 0.9800 . ?
C126_3 H12B_3 0.9800 . ?
C126_3 H12C_3 0.9800 . ?
C127_3 N128_3 1.258(13) . ?
C127_3 H127_3 0.9500 . ?
N128_3 C129_3 1.446(11) . ?
C129_3 C130_3 1.3900 . ?
C129_3 C134_3 1.3900 . ?
C130_3 C131_3 1.3900 . ?
C130_3 H130_3 0.9500 . ?
C131_3 C132_3 1.3900 . ?
C131_3 H131_3 0.9500 . ?
C132_3 C133_3 1.3900 . ?
C132_3 C135_3 1.456(12) . ?
C133_3 C134_3 1.3900 . ?
C133_3 H133_3 0.9500 . ?
C134_3 H134_3 0.9500 . ?
C135_3 N136_3 1.340(13) . ?
C135_3 N176_3 1.39(3) . ?
N136_3 C155_3 1.35(3) . ?
N141_3 C145_3 1.4200 . ?
N141_3 C142_3 1.4200 . ?
C142_3 C143_3 1.4200 . ?
C142_3 H142_3 0.9500 . ?
C143_3 N144_3 1.4200 . ?
C143_3 H143_3 0.9500 . ?
N144_3 C146_3 1.406(12) . ?
N144_3 C145_3 1.4200 . ?
C145_3 C147_3 1.365(12) . ?
C146_3 H14A_3 0.9800 . ?
C146_3 H14B_3 0.9800 . ?
C146_3 H14C_3 0.9800 . ?
C147_3 N148_3 1.262(13) . ?
C147_3 H147_3 0.9500 . ?
N148_3 C149_3 1.451(11) . ?
C149_3 C150_3 1.3900 . ?
C149_3 C154_3 1.3900 . ?
C150_3 C151_3 1.3900 . ?
C150_3 H150_3 0.9500 . ?
C151_3 C152_3 1.3900 . ?
C151_3 H151_3 0.9500 . ?
C152_3 C153_3 1.3900 . ?
C152_3 C155_3 1.455(12) . ?
C153_3 C154_3 1.3900 . ?
C153_3 H153_3 0.9500 . ?
C154_3 H154_3 0.9500 . ?
C155_3 N156_3 1.337(13) . ?
N156_3 C175_3 1.35(3) . ?
N161_3 C162_3 1.4200 . ?
N161_3 C165_3 1.4200 . ?
C162_3 C163_3 1.4200 . ?
C162_3 H162_3 0.9500 . ?
C163_3 N164_3 1.4200 . ?
C163_3 H163_3 0.9500 . ?
N164_3 C166_3 1.406(12) . ?
N164_3 C165_3 1.4200 . ?
C165_3 C167_3 1.359(12) . ?
C166_3 H16A_3 0.9800 . ?
C166_3 H16B_3 0.9800 . ?
C166_3 H16C_3 0.9800 . ?
C167_3 N168_3 1.264(13) . ?
C167_3 H167_3 0.9500 . ?
N168_3 C169_3 1.445(11) . ?
C169_3 C170_3 1.3900 . ?
C169_3 C174_3 1.3900 . ?
C170_3 C171_3 1.3900 . ?
C170_3 H170_3 0.9500 . ?
C171_3 C172_3 1.3900 . ?
C171_3 H171_3 0.9500 . ?
C172_3 C173_3 1.3900 . ?
C172_3 C175_3 1.458(12) . ?
C173_3 C174_3 1.3900 . ?
C173_3 H173_3 0.9500 . ?
C174_3 H174_3 0.9500 . ?
C175_3 N176_3 1.335(13) . ?
N181_3 C185_3 1.4200 . ?
N181_3 C182_3 1.4200 . ?
C182_3 C183_3 1.4200 . ?
C182_3 H182_3 0.9500 . ?
C183_3 N184_3 1.4200 . ?
C183_3 H183_3 0.9500 . ?
N184_3 C186_3 1.406(12) . ?
N184_3 C185_3 1.4200 . ?
C185_3 C187_3 1.363(12) . ?
C186_3 H18A_3 0.9800 . ?
C186_3 H18B_3 0.9800 . ?
C186_3 H18C_3 0.9800 . ?
C187_3 N188_3 1.260(13) . ?
C187_3 H187_3 0.9500 . ?
N188_3 C189_3 1.441(11) . ?
C189_3 C190_3 1.3900 . ?
C189_3 C194_3 1.3900 . ?
C190_3 C191_3 1.3900 . ?
C190_3 H190_3 0.9500 . ?
C191_3 C192_3 1.3900 . ?
C191_3 H191_3 0.9500 . ?
C192_3 C193_3 1.3900 . ?
C192_3 C195_3 1.455(12) . ?
C193_3 C194_3 1.3900 . ?
C193_3 H193_3 0.9500 . ?
C194_3 H194_3 0.9500 . ?
C195_3 N196_3 1.343(13) . ?
C195_3 N236_3 1.39(3) . ?
N196_3 C215_3 1.36(3) . ?
N201_3 C202_3 1.4200 . ?
N201_3 C205_3 1.4200 . ?
C202_3 C203_3 1.4200 . ?
C202_3 H202_3 0.9500 . ?
C203_3 N204_3 1.4200 . ?
C203_3 H203_3 0.9500 . ?
N204_3 C206_3 1.402(12) . ?
N204_3 C205_3 1.4200 . ?
C205_3 C207_3 1.360(12) . ?
C206_3 H20A_3 0.9800 . ?
C206_3 H20B_3 0.9800 . ?
C206_3 H20C_3 0.9800 . ?
C207_3 N208_3 1.259(13) . ?
C207_3 H207_3 0.9500 . ?
N208_3 C209_3 1.440(11) . ?
C209_3 C210_3 1.3900 . ?
C209_3 C214_3 1.3900 . ?
C210_3 C211_3 1.3900 . ?
C210_3 H210_3 0.9500 . ?
C211_3 C212_3 1.3900 . ?
C211_3 H211_3 0.9500 . ?
C212_3 C213_3 1.3900 . ?
C212_3 C215_3 1.451(12) . ?
C213_3 C214_3 1.3900 . ?
C213_3 H213_3 0.9500 . ?
C214_3 H214_3 0.9500 . ?
C215_3 N216_3 1.343(13) . ?
N216_3 C235_3 1.36(3) . ?
N221_3 C225_3 1.4200 . ?
N221_3 C222_3 1.4200 . ?
C222_3 C223_3 1.4200 . ?
C222_3 H222_3 0.9500 . ?
C223_3 N224_3 1.4200 . ?
C223_3 H223_3 0.9500 . ?
N224_3 C226_3 1.408(12) . ?
N224_3 C225_3 1.4200 . ?
C225_3 C227_3 1.367(12) . ?
C226_3 H22A_3 0.9800 . ?
C226_3 H22B_3 0.9800 . ?
C226_3 H22C_3 0.9800 . ?
C227_3 N228_3 1.259(13) . ?
C227_3 H227_3 0.9500 . ?
N228_3 C229_3 1.439(11) . ?
C229_3 C230_3 1.3900 . ?
C229_3 C234_3 1.3900 . ?
C230_3 C231_3 1.3900 . ?
C230_3 H230_3 0.9500 . ?
C231_3 C232_3 1.3900 . ?
C231_3 H231_3 0.9500 . ?
C232_3 C233_3 1.3900 . ?
C232_3 C235_3 1.455(12) . ?
C233_3 C234_3 1.3900 . ?
C233_3 H233_3 0.9500 . ?
C234_3 H234_3 0.9500 . ?
C235_3 N236_3 1.340(13) . ?
Fe1_4 N141_4 2.05(2) . ?
Fe1_4 N1_4 2.097(19) . ?
Fe1_4 N201_4 2.103(18) . ?
Fe1_4 N148_4 2.25(2) . ?
Fe1_4 N8_4 2.25(2) . ?
Fe1_4 N208_4 2.26(2) . ?
Fe2_4 N61_4 2.13(2) . ?
Fe2_4 N21_4 2.14(2) . ?
Fe2_4 N221_4 2.17(2) . ?
Fe2_4 N228_4 2.23(2) . ?
Fe2_4 N68_4 2.28(2) . ?
Fe2_4 N28_4 2.28(2) . ?
Fe3_4 N81_4 2.097(19) . ?
Fe3_4 N121_4 2.15(2) . ?
Fe3_4 N41_4 2.19(2) . ?
Fe3_4 N128_4 2.24(2) . ?
Fe3_4 N48_4 2.25(2) . ?
Fe3_4 N88_4 2.28(2) . ?
Fe4_4 N101_4 2.099(19) . ?
Fe4_4 N181_4 2.11(2) . ?
Fe4_4 N161_4 2.19(2) . ?
Fe4_4 N168_4 2.23(2) . ?
Fe4_4 N188_4 2.28(2) . ?
Fe4_4 N108_4 2.28(2) . ?
N1_4 C2_4 1.4200 . ?
N1_4 C5_4 1.4200 . ?
C2_4 C3_4 1.4200 . ?
C2_4 H2_4 0.9500 . ?
C3_4 N4_4 1.4200 . ?
C3_4 H3_4 0.9500 . ?
N4_4 C6_4 1.409(12) . ?
N4_4 C5_4 1.4200 . ?
C5_4 C7_4 1.362(12) . ?
C6_4 H6A_4 0.9800 . ?
C6_4 H6B_4 0.9800 . ?
C6_4 H6C_4 0.9800 . ?
C7_4 N8_4 1.261(13) . ?
C7_4 H7_4 0.9500 . ?
N8_4 C9_4 1.449(11) . ?
C9_4 C10_4 1.3900 . ?
C9_4 C14_4 1.3900 . ?
C10_4 C11_4 1.3900 . ?
C10_4 H10_4 0.9500 . ?
C11_4 C12_4 1.3900 . ?
C11_4 H11_4 0.9500 . ?
C12_4 C13_4 1.3900 . ?
C12_4 C15_4 1.459(12) . ?
C13_4 C14_4 1.3900 . ?
C13_4 H13_4 0.9500 . ?
C14_4 H14_4 0.9500 . ?
C15_4 N16_4 1.348(13) . ?
C15_4 N36_4 1.39(3) . ?
N16_4 C55_4 1.32(3) . ?
N21_4 C25_4 1.4200 . ?
N21_4 C22_4 1.4200 . ?
C22_4 C23_4 1.4200 . ?
C22_4 H22_4 0.9500 . ?
C23_4 N24_4 1.4200 . ?
C23_4 H23_4 0.9500 . ?
N24_4 C26_4 1.406(12) . ?
N24_4 C25_4 1.4200 . ?
C25_4 C27_4 1.363(12) . ?
C26_4 H26A_4 0.9800 . ?
C26_4 H26B_4 0.9800 . ?
C26_4 H26C_4 0.9800 . ?
C27_4 N28_4 1.258(13) . ?
C27_4 H27_4 0.9500 . ?
N28_4 C29_4 1.450(11) . ?
C29_4 C34_4 1.3900 . ?
C29_4 C30_4 1.3900 . ?
C30_4 C31_4 1.3900 . ?
C30_4 H30_4 0.9500 . ?
C31_4 C32_4 1.3900 . ?
C31_4 H31_4 0.9500 . ?
C32_4 C33_4 1.3900 . ?
C32_4 C35_4 1.458(12) . ?
C33_4 C34_4 1.3900 . ?
C33_4 H33_4 0.9500 . ?
C34_4 H34_4 0.9500 . ?
C35_4 N56_4 1.31(3) . ?
C35_4 N36_4 1.339(13) . ?
N41_4 C45_4 1.4200 . ?
N41_4 C42_4 1.4200 . ?
C42_4 C43_4 1.4200 . ?
C42_4 H42_4 0.9500 . ?
C43_4 N44_4 1.4200 . ?
C43_4 H43_4 0.9500 . ?
N44_4 C46_4 1.409(12) . ?
N44_4 C45_4 1.4200 . ?
C45_4 C47_4 1.360(12) . ?
C46_4 H46A_4 0.9800 . ?
C46_4 H46B_4 0.9800 . ?
C46_4 H46C_4 0.9800 . ?
C47_4 N48_4 1.260(13) . ?
C47_4 H47_4 0.9500 . ?
N48_4 C49_4 1.453(11) . ?
C49_4 C50_4 1.3900 . ?
C49_4 C54_4 1.3900 . ?
C50_4 C51_4 1.3900 . ?
C50_4 H50_4 0.9500 . ?
C51_4 C52_4 1.3900 . ?
C51_4 H51_4 0.9500 . ?
C52_4 C53_4 1.3900 . ?
C52_4 C55_4 1.450(12) . ?
C53_4 C54_4 1.3900 . ?
C53_4 H53_4 0.9500 . ?
C54_4 H54_4 0.9500 . ?
C55_4 N56_4 1.338(13) . ?
N61_4 C62_4 1.4200 . ?
N61_4 C65_4 1.4200 . ?
C62_4 C63_4 1.4200 . ?
C62_4 H62_4 0.9500 . ?
C63_4 N64_4 1.4200 . ?
C63_4 H63_4 0.9500 . ?
N64_4 C66_4 1.411(12) . ?
N64_4 C65_4 1.4200 . ?
C65_4 C67_4 1.363(12) . ?
C66_4 H66A_4 0.9800 . ?
C66_4 H66B_4 0.9800 . ?
C66_4 H66C_4 0.9800 . ?
C67_4 N68_4 1.261(13) . ?
C67_4 H67_4 0.9500 . ?
N68_4 C69_4 1.441(11) . ?
C69_4 C70_4 1.3900 . ?
C69_4 C74_4 1.3900 . ?
C70_4 C71_4 1.3900 . ?
C70_4 H70_4 0.9500 . ?
C71_4 C72_4 1.3900 . ?
C71_4 H71_4 0.9500 . ?
C72_4 C73_4 1.3900 . ?
C72_4 C75_4 1.455(12) . ?
C73_4 C74_4 1.3900 . ?
C73_4 H73_4 0.9500 . ?
C74_4 H74_4 0.9500 . ?
C75_4 N116_4 1.32(3) . ?
C75_4 N76_4 1.352(13) . ?
N76_4 C95_4 1.36(3) . ?
N81_4 C82_4 1.4200 . ?
N81_4 C85_4 1.4200 . ?
C82_4 C83_4 1.4200 . ?
C82_4 H82_4 0.9500 . ?
C83_4 N84_4 1.4200 . ?
C83_4 H83_4 0.9500 . ?
N84_4 C86_4 1.406(12) . ?
N84_4 C85_4 1.4200 . ?
C85_4 C87_4 1.365(12) . ?
C86_4 H86A_4 0.9800 . ?
C86_4 H86B_4 0.9800 . ?
C86_4 H86C_4 0.9800 . ?
C87_4 N88_4 1.263(13) . ?
C87_4 H87_4 0.9500 . ?
N88_4 C89_4 1.441(11) . ?
C89_4 C90_4 1.3900 . ?
C89_4 C94_4 1.3900 . ?
C90_4 C91_4 1.3900 . ?
C90_4 H90_4 0.9500 . ?
C91_4 C92_4 1.3900 . ?
C91_4 H91_4 0.9500 . ?
C92_4 C93_4 1.3900 . ?
C92_4 C95_4 1.454(12) . ?
C93_4 C94_4 1.3900 . ?
C93_4 H93_4 0.9500 . ?
C94_4 H94_4 0.9500 . ?
C95_4 N96_4 1.343(13) . ?
N96_4 C115_4 1.35(3) . ?
N101_4 C105_4 1.4200 . ?
N101_4 C102_4 1.4200 . ?
C102_4 C103_4 1.4200 . ?
C102_4 H102_4 0.9500 . ?
C103_4 N104_4 1.4200 . ?
C103_4 H103_4 0.9500 . ?
N104_4 C106_4 1.409(12) . ?
N104_4 C105_4 1.4200 . ?
C105_4 C107_4 1.357(12) . ?
C106_4 H10A_4 0.9800 . ?
C106_4 H10B_4 0.9800 . ?
C106_4 H10C_4 0.9800 . ?
C107_4 N108_4 1.263(13) . ?
C107_4 H107_4 0.9500 . ?
N108_4 C109_4 1.444(11) . ?
C109_4 C110_4 1.3900 . ?
C109_4 C114_4 1.3900 . ?
C110_4 C111_4 1.3900 . ?
C110_4 H110_4 0.9500 . ?
C111_4 C112_4 1.3900 . ?
C111_4 H111_4 0.9500 . ?
C112_4 C113_4 1.3900 . ?
C112_4 C115_4 1.458(12) . ?
C113_4 C114_4 1.3900 . ?
C113_4 H113_4 0.9500 . ?
C114_4 H114_4 0.9500 . ?
C115_4 N116_4 1.344(13) . ?
N121_4 C125_4 1.4200 . ?
N121_4 C122_4 1.4200 . ?
C122_4 C123_4 1.4200 . ?
C122_4 H122_4 0.9500 . ?
C123_4 N124_4 1.4200 . ?
C123_4 H123_4 0.9500 . ?
N124_4 C126_4 1.403(12) . ?
N124_4 C125_4 1.4200 . ?
C125_4 C127_4 1.366(12) . ?
C126_4 H12A_4 0.9800 . ?
C126_4 H12B_4 0.9800 . ?
C126_4 H12C_4 0.9800 . ?
C127_4 N128_4 1.259(13) . ?
C127_4 H127_4 0.9500 . ?
N128_4 C129_4 1.447(11) . ?
C129_4 C130_4 1.3900 . ?
C129_4 C134_4 1.3900 . ?
C130_4 C131_4 1.3900 . ?
C130_4 H130_4 0.9500 . ?
C131_4 C132_4 1.3900 . ?
C131_4 H131_4 0.9500 . ?
C132_4 C133_4 1.3900 . ?
C132_4 C135_4 1.455(12) . ?
C133_4 C134_4 1.3900 . ?
C133_4 H133_4 0.9500 . ?
C134_4 H134_4 0.9500 . ?
C135_4 N176_4 1.29(3) . ?
C135_4 N136_4 1.342(13) . ?
N136_4 C155_4 1.33(3) . ?
N141_4 C145_4 1.4200 . ?
N141_4 C142_4 1.4200 . ?
C142_4 C143_4 1.4200 . ?
C142_4 H142_4 0.9500 . ?
C143_4 N144_4 1.4200 . ?
C143_4 H143_4 0.9500 . ?
N144_4 C146_4 1.403(12) . ?
N144_4 C145_4 1.4200 . ?
C145_4 C147_4 1.359(12) . ?
C146_4 H14A_4 0.9800 . ?
C146_4 H14B_4 0.9800 . ?
C146_4 H14C_4 0.9800 . ?
C147_4 N148_4 1.258(13) . ?
C147_4 H147_4 0.9500 . ?
N148_4 C149_4 1.442(11) . ?
C149_4 C150_4 1.3900 . ?
C149_4 C154_4 1.3900 . ?
C150_4 C151_4 1.3900 . ?
C150_4 H150_4 0.9500 . ?
C151_4 C152_4 1.3900 . ?
C151_4 H151_4 0.9500 . ?
C152_4 C153_4 1.3900 . ?
C152_4 C155_4 1.460(12) . ?
C153_4 C154_4 1.3900 . ?
C153_4 H153_4 0.9500 . ?
C154_4 H154_4 0.9500 . ?
C155_4 N156_4 1.340(13) . ?
N156_4 C175_4 1.33(3) . ?
N161_4 C162_4 1.4200 . ?
N161_4 C165_4 1.4200 . ?
C162_4 C163_4 1.4200 . ?
C162_4 H162_4 0.9500 . ?
C163_4 N164_4 1.4200 . ?
C163_4 H163_4 0.9500 . ?
N164_4 C166_4 1.410(12) . ?
N164_4 C165_4 1.4200 . ?
C165_4 C167_4 1.366(12) . ?
C166_4 H16A_4 0.9800 . ?
C166_4 H16B_4 0.9800 . ?
C166_4 H16C_4 0.9800 . ?
C167_4 N168_4 1.263(13) . ?
C167_4 H167_4 0.9500 . ?
N168_4 C169_4 1.452(11) . ?
C169_4 C170_4 1.3900 . ?
C169_4 C174_4 1.3900 . ?
C170_4 C171_4 1.3900 . ?
C170_4 H170_4 0.9500 . ?
C171_4 C172_4 1.3900 . ?
C171_4 H171_4 0.9500 . ?
C172_4 C173_4 1.3900 . ?
C172_4 C175_4 1.449(12) . ?
C173_4 C174_4 1.3900 . ?
C173_4 H173_4 0.9500 . ?
C174_4 H174_4 0.9500 . ?
C175_4 N176_4 1.335(13) . ?
N181_4 C182_4 1.4200 . ?
N181_4 C185_4 1.4200 . ?
C182_4 C183_4 1.4200 . ?
C182_4 H182_4 0.9500 . ?
C183_4 N184_4 1.4200 . ?
C183_4 H183_4 0.9500 . ?
N184_4 C186_4 1.404(12) . ?
N184_4 C185_4 1.4200 . ?
C185_4 C187_4 1.365(12) . ?
C186_4 H18A_4 0.9800 . ?
C186_4 H18B_4 0.9800 . ?
C186_4 H18C_4 0.9800 . ?
C187_4 N188_4 1.258(13) . ?
C187_4 H187_4 0.9500 . ?
N188_4 C189_4 1.449(11) . ?
C189_4 C190_4 1.3900 . ?
C189_4 C194_4 1.3900 . ?
C190_4 C191_4 1.3900 . ?
C190_4 H190_4 0.9500 . ?
C191_4 C192_4 1.3900 . ?
C191_4 H191_4 0.9500 . ?
C192_4 C193_4 1.3900 . ?
C192_4 C195_4 1.453(12) . ?
C193_4 C194_4 1.3900 . ?
C193_4 H193_4 0.9500 . ?
C194_4 H194_4 0.9500 . ?
C195_4 N236_4 1.32(3) . ?
C195_4 N196_4 1.341(13) . ?
N196_4 C215_4 1.31(3) . ?
N201_4 C202_4 1.4200 . ?
N201_4 C205_4 1.4200 . ?
C202_4 C203_4 1.4200 . ?
C202_4 H202_4 0.9500 . ?
C203_4 N204_4 1.4200 . ?
C203_4 H203_4 0.9500 . ?
N204_4 C206_4 1.405(12) . ?
N204_4 C205_4 1.4200 . ?
C205_4 C207_4 1.362(12) . ?
C206_4 H20A_4 0.9800 . ?
C206_4 H20B_4 0.9800 . ?
C206_4 H20C_4 0.9800 . ?
C207_4 N208_4 1.266(13) . ?
C207_4 H207_4 0.9500 . ?
N208_4 C209_4 1.447(11) . ?
C209_4 C210_4 1.3900 . ?
C209_4 C214_4 1.3900 . ?
C210_4 C211_4 1.3900 . ?
C210_4 H210_4 0.9500 . ?
C211_4 C212_4 1.3900 . ?
C211_4 H211_4 0.9500 . ?
C212_4 C213_4 1.3900 . ?
C212_4 C215_4 1.461(12) . ?
C213_4 C214_4 1.3900 . ?
C213_4 H213_4 0.9500 . ?
C214_4 H214_4 0.9500 . ?
C215_4 N216_4 1.349(13) . ?
N216_4 C235_4 1.37(3) . ?
N221_4 C222_4 1.4200 . ?
N221_4 C225_4 1.4200 . ?
C222_4 C223_4 1.4200 . ?
C222_4 H222_4 0.9500 . ?
C223_4 N224_4 1.4200 . ?
C223_4 H223_4 0.9500 . ?
N224_4 C226_4 1.410(12) . ?
N224_4 C225_4 1.4200 . ?
C225_4 C227_4 1.363(12) . ?
C226_4 H22A_4 0.9608 . ?
C226_4 H22B_4 0.9611 . ?
C226_4 H22C_4 0.9609 . ?
C227_4 N228_4 1.264(13) . ?
C227_4 H227_4 0.9500 . ?
N228_4 C229_4 1.452(11) . ?
C229_4 C230_4 1.3900 . ?
C229_4 C234_4 1.3900 . ?
C230_4 C231_4 1.3900 . ?
C230_4 H230_4 0.9500 . ?
C231_4 C232_4 1.3900 . ?
C231_4 H231_4 0.9500 . ?
C232_4 C233_4 1.3900 . ?
C232_4 C235_4 1.453(12) . ?
C233_4 C234_4 1.3900 . ?
C233_4 H233_4 0.9500 . ?
C234_4 H234_4 0.9500 . ?
C235_4 N236_4 1.345(13) . ?
B1_5 F2_5 1.3736 . ?
B1_5 F1_5 1.3831 . ?
B1_5 F4_5 1.3849 . ?
B1_5 F3_5 1.3939 . ?
B1_6 F2_6 1.3738 . ?
B1_6 F1_6 1.3831 . ?
B1_6 F4_6 1.3845 . ?
B1_6 F3_6 1.3942 . ?
B1_7 F2_7 1.3737 . ?
B1_7 F1_7 1.3833 . ?
B1_7 F4_7 1.3848 . ?
B1_7 F3_7 1.3939 . ?
B1_8 F2_8 1.3734 . ?
B1_8 F1_8 1.3834 . ?
B1_8 F4_8 1.3847 . ?
B1_8 F3_8 1.3942 . ?
B1_9 F2_9 1.3737 . ?
B1_9 F1_9 1.3829 . ?
B1_9 F4_9 1.3848 . ?
B1_9 F3_9 1.3940 . ?
B1_10 F2_10 1.3734 . ?
B1_10 F1_10 1.3836 . ?
B1_10 F4_10 1.3845 . ?
B1_10 F3_10 1.3942 . ?
B1_11 F2_11 1.3736 . ?
B1_11 F1_11 1.3836 . ?
B1_11 F4_11 1.3847 . ?
B1_11 F3_11 1.3937 . ?
B1_12 F2_12 1.3735 . ?
B1_12 F1_12 1.3835 . ?
B1_12 F4_12 1.3844 . ?
B1_12 F3_12 1.3941 . ?
B1_13 F2_13 1.3734 . ?
B1_13 F1_13 1.3830 . ?
B1_13 F4_13 1.3850 . ?
B1_13 F3_13 1.3942 . ?
B1_14 F2_14 1.3735 . ?
B1_14 F1_14 1.3832 . ?
B1_14 F4_14 1.3847 . ?
B1_14 F3_14 1.3940 . ?
B1_15 F2_15 1.3737 . ?
B1_15 F1_15 1.3830 . ?
B1_15 F4_15 1.3846 . ?
B1_15 F3_15 1.3941 . ?
B1_16 F2_16 1.3739 . ?
B1_16 F1_16 1.3831 . ?
B1_16 F4_16 1.3846 . ?
B1_16 F3_16 1.3939 . ?
B1_17 F2_17 1.3734 . ?
B1_17 F1_17 1.3834 . ?
B1_17 F4_17 1.3849 . ?
B1_17 F3_17 1.3937 . ?
B1_18 F2_18 1.3736 . ?
B1_18 F1_18 1.3835 . ?
B1_18 F4_18 1.3849 . ?
B1_18 F3_18 1.3935 . ?
B1_19 F2_19 1.3734 . ?
B1_19 F1_19 1.3833 . ?
B1_19 F4_19 1.3848 . ?
B1_19 F3_19 1.3940 . ?
B1_20 F2_20 1.3737 . ?
B1_20 F1_20 1.3828 . ?
B1_20 F4_20 1.3850 . ?
B1_20 F3_20 1.3938 . ?
B1_21 F2_21 1.3735 . ?
B1_21 F1_21 1.3829 . ?
B1_21 F4_21 1.3848 . ?
B1_21 F3_21 1.3941 . ?
B1_22 F2_22 1.3733 . ?
B1_22 F1_22 1.3832 . ?
B1_22 F4_22 1.3846 . ?
B1_22 F3_22 1.3942 . ?
B1_23 F2_23 1.3736 . ?
B1_23 F1_23 1.3833 . ?
B1_23 F4_23 1.3849 . ?
B1_23 F3_23 1.3936 . ?
B1_24 F2_24 1.3735 . ?
B1_24 F1_24 1.3830 . ?
B1_24 F4_24 1.3849 . ?
B1_24 F3_24 1.3940 . ?
B1_25 F2_25 1.3737 . ?
B1_25 F1_25 1.3830 . ?
B1_25 F4_25 1.3848 . ?
B1_25 F3_25 1.3940 . ?
B1_26 F2_26 1.3734 . ?
B1_26 F1_26 1.3833 . ?
B1_26 F4_26 1.3845 . ?
B1_26 F3_26 1.3942 . ?
B1_27 F2_27 1.3735 . ?
B1_27 F1_27 1.3832 . ?
B1_27 F4_27 1.3847 . ?
B1_27 F3_27 1.3938 . ?
B1_28 F2_28 1.3735 . ?
B1_28 F1_28 1.3834 . ?
B1_28 F4_28 1.3846 . ?
B1_28 F3_28 1.3940 . ?
B1_29 F2_29 1.3734 . ?
B1_29 F1_29 1.3832 . ?
B1_29 F4_29 1.3849 . ?
B1_29 F3_29 1.3941 . ?
B1_30 F2_30 1.3737 . ?
B1_30 F1_30 1.3830 . ?
B1_30 F4_30 1.3849 . ?
B1_30 F3_30 1.3937 . ?
B1_31 F2_31 1.3735 . ?
B1_31 F1_31 1.3832 . ?
B1_31 F4_31 1.3850 . ?
B1_31 F3_31 1.3939 . ?
B1_32 F2_32 1.3735 . ?
B1_32 F1_32 1.3828 . ?
B1_32 F4_32 1.3849 . ?
B1_32 F3_32 1.3940 . ?
B1_33 F2_33 1.3737 . ?
B1_33 F1_33 1.3832 . ?
B1_33 F4_33 1.3849 . ?
B1_33 F3_33 1.3935 . ?
B1_34 F2_34 1.3740 . ?
B1_34 F1_34 1.3831 . ?
B1_34 F4_34 1.3849 . ?
B1_34 F3_34 1.3937 . ?
B1_35 F2_35 1.3735 . ?
B1_35 F1_35 1.3833 . ?
B1_35 F4_35 1.3850 . ?
B1_35 F3_35 1.3937 . ?
B1_36 F2_36 1.3734 . ?
B1_36 F1_36 1.3830 . ?
B1_36 F4_36 1.3850 . ?
B1_36 F3_36 1.3940 . ?

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
N141_1 Fe1_1 N201_1 88.1(8) . . ?
N141_1 Fe1_1 N1_1 87.3(9) . . ?
N201_1 Fe1_1 N1_1 87.0(8) . . ?
N141_1 Fe1_1 N148_1 76.9(8) . . ?
N201_1 Fe1_1 N148_1 95.6(9) . . ?
N1_1 Fe1_1 N148_1 163.9(9) . . ?
N141_1 Fe1_1 N8_1 93.4(10) . . ?
N201_1 Fe1_1 N8_1 162.6(8) . . ?
N1_1 Fe1_1 N8_1 75.7(7) . . ?
N148_1 Fe1_1 N8_1 101.7(9) . . ?
N141_1 Fe1_1 N208_1 164.6(8) . . ?
N201_1 Fe1_1 N208_1 76.7(7) . . ?
N1_1 Fe1_1 N208_1 94.4(9) . . ?
N148_1 Fe1_1 N208_1 101.7(9) . . ?
N8_1 Fe1_1 N208_1 101.9(10) . . ?
N61_1 Fe2_1 N21_1 88.9(9) . . ?
N61_1 Fe2_1 N221_1 91.4(9) . . ?
N21_1 Fe2_1 N221_1 98.3(9) . . ?
N61_1 Fe2_1 N228_1 98.2(10) . . ?
N21_1 Fe2_1 N228_1 170.7(10) . . ?
N221_1 Fe2_1 N228_1 75.7(8) . . ?
N61_1 Fe2_1 N28_1 163.4(9) . . ?
N21_1 Fe2_1 N28_1 74.6(7) . . ?
N221_1 Fe2_1 N28_1 89.8(10) . . ?
N228_1 Fe2_1 N28_1 98.1(9) . . ?
N61_1 Fe2_1 N68_1 75.0(8) . . ?
N21_1 Fe2_1 N68_1 93.3(9) . . ?
N221_1 Fe2_1 N68_1 162.0(10) . . ?
N228_1 Fe2_1 N68_1 94.2(9) . . ?
N28_1 Fe2_1 N68_1 106.6(9) . . ?
N81_1 Fe3_1 N121_1 89.9(8) . . ?
N81_1 Fe3_1 N41_1 91.9(9) . . ?
N121_1 Fe3_1 N41_1 99.6(9) . . ?
N81_1 Fe3_1 N48_1 96.8(9) . . ?
N121_1 Fe3_1 N48_1 171.5(9) . . ?
N41_1 Fe3_1 N48_1 75.0(8) . . ?
N81_1 Fe3_1 N128_1 164.6(8) . . ?
N121_1 Fe3_1 N128_1 74.7(7) . . ?
N41_1 Fe3_1 N128_1 89.4(10) . . ?
N48_1 Fe3_1 N128_1 98.4(8) . . ?
N81_1 Fe3_1 N88_1 74.6(7) . . ?
N121_1 Fe3_1 N88_1 91.4(10) . . ?
N41_1 Fe3_1 N88_1 162.7(9) . . ?
N48_1 Fe3_1 N88_1 95.5(9) . . ?
N128_1 Fe3_1 N88_1 106.5(9) . . ?
N101_1 Fe4_1 N181_1 86.1(9) . . ?
N101_1 Fe4_1 N161_1 93.0(8) . . ?
N181_1 Fe4_1 N161_1 99.6(9) . . ?
N101_1 Fe4_1 N168_1 101.9(10) . . ?
N181_1 Fe4_1 N168_1 170.4(9) . . ?
N161_1 Fe4_1 N168_1 74.8(8) . . ?
N101_1 Fe4_1 N188_1 161.7(9) . . ?
N181_1 Fe4_1 N188_1 75.7(8) . . ?
N161_1 Fe4_1 N188_1 89.1(9) . . ?
N168_1 Fe4_1 N188_1 96.2(9) . . ?
N101_1 Fe4_1 N108_1 75.1(7) . . ?
N181_1 Fe4_1 N108_1 92.1(10) . . ?
N161_1 Fe4_1 N108_1 162.8(10) . . ?
N168_1 Fe4_1 N108_1 95.2(10) . . ?
N188_1 Fe4_1 N108_1 106.1(9) . . ?
C5_1 N1_1 C2_1 108.0 . . ?
C5_1 N1_1 Fe1_1 111.7(10) . . ?
C2_1 N1_1 Fe1_1 139.3(10) . . ?
C3_1 C2_1 N1_1 108.0 . . ?
C3_1 C2_1 H2_1 126.0 . . ?
N1_1 C2_1 H2_1 126.0 . . ?
N4_1 C3_1 C2_1 108.0 . . ?
N4_1 C3_1 H3_1 126.0 . . ?
C2_1 C3_1 H3_1 126.0 . . ?
C6_1 N4_1 C3_1 130.1(14) . . ?
C6_1 N4_1 C5_1 121.9(14) . . ?
C3_1 N4_1 C5_1 108.0 . . ?
C7_1 C5_1 N1_1 120.4(12) . . ?
C7_1 C5_1 N4_1 131.6(12) . . ?
N1_1 C5_1 N4_1 108.0 . . ?
N4_1 C6_1 H6A_1 109.5 . . ?
N4_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
N4_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
N8_1 C7_1 C5_1 117.7(16) . . ?
N8_1 C7_1 H7_1 121.1 . . ?
C5_1 C7_1 H7_1 121.1 . . ?
C7_1 N8_1 C9_1 118.5(15) . . ?
C7_1 N8_1 Fe1_1 113.6(11) . . ?
C9_1 N8_1 Fe1_1 127.6(13) . . ?
C10_1 C9_1 C14_1 120.0 . . ?
C10_1 C9_1 N8_1 120.4(12) . . ?
C14_1 C9_1 N8_1 119.6(12) . . ?
C9_1 C10_1 C11_1 120.0 . . ?
C9_1 C10_1 H10_1 120.0 . . ?
C11_1 C10_1 H10_1 120.0 . . ?
C12_1 C11_1 C10_1 120.0 . . ?
C12_1 C11_1 H11_1 120.0 . . ?
C10_1 C11_1 H11_1 120.0 . . ?
C11_1 C12_1 C13_1 120.0 . . ?
C11_1 C12_1 C15_1 120.9(11) . . ?
C13_1 C12_1 C15_1 119.1(11) . . ?
C14_1 C13_1 C12_1 120.0 . . ?
C14_1 C13_1 H13_1 120.0 . . ?
C12_1 C13_1 H13_1 120.0 . . ?
C13_1 C14_1 C9_1 120.0 . . ?
C13_1 C14_1 H14_1 120.0 . . ?
C9_1 C14_1 H14_1 120.0 . . ?
N16_1 C15_1 N56_1 125(2) . . ?
N16_1 C15_1 C12_1 117.8(17) . . ?
N56_1 C15_1 C12_1 117.0(18) . . ?
C15_1 N16_1 C35_1 114(2) . . ?
C25_1 N21_1 C22_1 108.0 . . ?
C25_1 N21_1 Fe2_1 112.5(10) . . ?
C22_1 N21_1 Fe2_1 139.5(11) . . ?
C23_1 C22_1 N21_1 108.0 . . ?
C23_1 C22_1 H22_1 126.0 . . ?
N21_1 C22_1 H22_1 126.0 . . ?
C22_1 C23_1 N24_1 108.0 . . ?
C22_1 C23_1 H23_1 126.0 . . ?
N24_1 C23_1 H23_1 126.0 . . ?
C26_1 N24_1 C25_1 122.7(14) . . ?
C26_1 N24_1 C23_1 129.3(14) . . ?
C25_1 N24_1 C23_1 108.0 . . ?
C27_1 C25_1 N24_1 131.3(12) . . ?
C27_1 C25_1 N21_1 120.7(12) . . ?
N24_1 C25_1 N21_1 108.0 . . ?
N24_1 C26_1 H26A_1 109.5 . . ?
N24_1 C26_1 H26B_1 109.5 . . ?
H26A_1 C26_1 H26B_1 109.5 . . ?
N24_1 C26_1 H26C_1 109.5 . . ?
H26A_1 C26_1 H26C_1 109.5 . . ?
H26B_1 C26_1 H26C_1 109.5 . . ?
N28_1 C27_1 C25_1 118.0(16) . . ?
N28_1 C27_1 H27_1 121.0 . . ?
C25_1 C27_1 H27_1 121.0 . . ?
C27_1 N28_1 C29_1 116.2(15) . . ?
C27_1 N28_1 Fe2_1 114.3(12) . . ?
C29_1 N28_1 Fe2_1 127.4(14) . . ?
C30_1 C29_1 C34_1 120.0 . . ?
C30_1 C29_1 N28_1 119.4(12) . . ?
C34_1 C29_1 N28_1 120.4(12) . . ?
C31_1 C30_1 C29_1 120.0 . . ?
C31_1 C30_1 H30_1 120.0 . . ?
C29_1 C30_1 H30_1 120.0 . . ?
C30_1 C31_1 C32_1 120.0 . . ?
C30_1 C31_1 H31_1 120.0 . . ?
C32_1 C31_1 H31_1 120.0 . . ?
C31_1 C32_1 C33_1 120.0 . . ?
C31_1 C32_1 C35_1 119.6(11) . . ?
C33_1 C32_1 C35_1 119.8(11) . . ?
C34_1 C33_1 C32_1 120.0 . . ?
C34_1 C33_1 H33_1 120.0 . . ?
C32_1 C33_1 H33_1 120.0 . . ?
C33_1 C34_1 C29_1 120.0 . . ?
C33_1 C34_1 H34_1 120.0 . . ?
C29_1 C34_1 H34_1 120.0 . . ?
N36_1 C35_1 N16_1 124(2) . . ?
N36_1 C35_1 C32_1 117.6(17) . . ?
N16_1 C35_1 C32_1 118.5(18) . . ?
C55_1 N36_1 C35_1 118(2) . . ?
C45_1 N41_1 C42_1 108.0 . . ?
C45_1 N41_1 Fe3_1 109.8(11) . . ?
C42_1 N41_1 Fe3_1 140.1(11) . . ?
C43_1 C42_1 N41_1 108.0 . . ?
C43_1 C42_1 H42_1 126.0 . . ?
N41_1 C42_1 H42_1 126.0 . . ?
C42_1 C43_1 N44_1 108.0 . . ?
C42_1 C43_1 H43_1 126.0 . . ?
N44_1 C43_1 H43_1 126.0 . . ?
C46_1 N44_1 C43_1 128.8(15) . . ?
C46_1 N44_1 C45_1 123.2(15) . . ?
C43_1 N44_1 C45_1 108.0 . . ?
C47_1 C45_1 N41_1 119.8(13) . . ?
C47_1 C45_1 N44_1 132.2(13) . . ?
N41_1 C45_1 N44_1 108.0 . . ?
N44_1 C46_1 H46A_1 109.5 . . ?
N44_1 C46_1 H46B_1 109.5 . . ?
H46A_1 C46_1 H46B_1 109.5 . . ?
N44_1 C46_1 H46C_1 109.5 . . ?
H46A_1 C46_1 H46C_1 109.5 . . ?
H46B_1 C46_1 H46C_1 109.5 . . ?
N48_1 C47_1 C45_1 118.9(17) . . ?
N48_1 C47_1 H47_1 120.5 . . ?
C45_1 C47_1 H47_1 120.5 . . ?
C47_1 N48_1 C49_1 114.2(15) . . ?
C47_1 N48_1 Fe3_1 115.2(12) . . ?
C49_1 N48_1 Fe3_1 130.3(15) . . ?
C50_1 C49_1 C54_1 120.0 . . ?
C50_1 C49_1 N48_1 119.0(12) . . ?
C54_1 C49_1 N48_1 120.8(12) . . ?
C51_1 C50_1 C49_1 120.0 . . ?
C51_1 C50_1 H50_1 120.0 . . ?
C49_1 C50_1 H50_1 120.0 . . ?
C50_1 C51_1 C52_1 120.0 . . ?
C50_1 C51_1 H51_1 120.0 . . ?
C52_1 C51_1 H51_1 120.0 . . ?
C51_1 C52_1 C53_1 120.0 . . ?
C51_1 C52_1 C55_1 120.1(11) . . ?
C53_1 C52_1 C55_1 119.9(11) . . ?
C54_1 C53_1 C52_1 120.0 . . ?
C54_1 C53_1 H53_1 120.0 . . ?
C52_1 C53_1 H53_1 120.0 . . ?
C53_1 C54_1 C49_1 120.0 . . ?
C53_1 C54_1 H54_1 120.0 . . ?
C49_1 C54_1 H54_1 120.0 . . ?
N36_1 C55_1 N56_1 125(2) . . ?
N36_1 C55_1 C52_1 119(2) . . ?
N56_1 C55_1 C52_1 116.6(17) . . ?
C55_1 N56_1 C15_1 115(2) . . ?
C62_1 N61_1 C65_1 108.0 . . ?
C62_1 N61_1 Fe2_1 139.2(11) . . ?
C65_1 N61_1 Fe2_1 111.9(11) . . ?
C63_1 C62_1 N61_1 108.0 . . ?
C63_1 C62_1 H62_1 126.0 . . ?
N61_1 C62_1 H62_1 126.0 . . ?
C62_1 C63_1 N64_1 108.0 . . ?
C62_1 C63_1 H63_1 126.0 . . ?
N64_1 C63_1 H63_1 126.0 . . ?
C66_1 N64_1 C65_1 121.2(15) . . ?
C66_1 N64_1 C63_1 130.8(15) . . ?
C65_1 N64_1 C63_1 108.0 . . ?
C67_1 C65_1 N64_1 130.2(13) . . ?
C67_1 C65_1 N61_1 121.8(13) . . ?
N64_1 C65_1 N61_1 108.0 . . ?
N64_1 C66_1 H66A_1 109.5 . . ?
N64_1 C66_1 H66B_1 109.5 . . ?
H66A_1 C66_1 H66B_1 109.5 . . ?
N64_1 C66_1 H66C_1 109.5 . . ?
H66A_1 C66_1 H66C_1 109.5 . . ?
H66B_1 C66_1 H66C_1 109.5 . . ?
N68_1 C67_1 C65_1 116.7(16) . . ?
N68_1 C67_1 H67_1 121.6 . . ?
C65_1 C67_1 H67_1 121.6 . . ?
C67_1 N68_1 C69_1 117.8(15) . . ?
C67_1 N68_1 Fe2_1 113.9(12) . . ?
C69_1 N68_1 Fe2_1 128.3(14) . . ?
C70_1 C69_1 C74_1 120.0 . . ?
C70_1 C69_1 N68_1 120.4(12) . . ?
C74_1 C69_1 N68_1 119.3(12) . . ?
C69_1 C70_1 C71_1 120.0 . . ?
C69_1 C70_1 H70_1 120.0 . . ?
C71_1 C70_1 H70_1 120.0 . . ?
C70_1 C71_1 C72_1 120.0 . . ?
C70_1 C71_1 H71_1 120.0 . . ?
C72_1 C71_1 H71_1 120.0 . . ?
C73_1 C72_1 C71_1 120.0 . . ?
C73_1 C72_1 C75_1 118.8(11) . . ?
C71_1 C72_1 C75_1 121.1(11) . . ?
C74_1 C73_1 C72_1 120.0 . . ?
C74_1 C73_1 H73_1 120.0 . . ?
C72_1 C73_1 H73_1 120.0 . . ?
C73_1 C74_1 C69_1 120.0 . . ?
C73_1 C74_1 H74_1 120.0 . . ?
C69_1 C74_1 H74_1 120.0 . . ?
N116_1 C75_1 N76_1 127(2) . . ?
N116_1 C75_1 C72_1 116.1(18) . . ?
N76_1 C75_1 C72_1 116.7(17) . . ?
C95_1 N76_1 C75_1 115(2) . . ?
C82_1 N81_1 C85_1 108.0 . . ?
C82_1 N81_1 Fe3_1 139.7(11) . . ?
C85_1 N81_1 Fe3_1 111.8(11) . . ?
N81_1 C82_1 C83_1 108.0 . . ?
N81_1 C82_1 H82_1 126.0 . . ?
C83_1 C82_1 H82_1 126.0 . . ?
N84_1 C83_1 C82_1 108.0 . . ?
N84_1 C83_1 H83_1 126.0 . . ?
C82_1 C83_1 H83_1 126.0 . . ?
C86_1 N84_1 C85_1 122.1(14) . . ?
C86_1 N84_1 C83_1 129.9(14) . . ?
C85_1 N84_1 C83_1 108.0 . . ?
C87_1 C85_1 N84_1 130.9(13) . . ?
C87_1 C85_1 N81_1 121.1(13) . . ?
N84_1 C85_1 N81_1 108.0 . . ?
N84_1 C86_1 H86A_1 109.5 . . ?
N84_1 C86_1 H86B_1 109.5 . . ?
H86A_1 C86_1 H86B_1 109.5 . . ?
N84_1 C86_1 H86C_1 109.5 . . ?
H86A_1 C86_1 H86C_1 109.5 . . ?
H86B_1 C86_1 H86C_1 109.5 . . ?
N88_1 C87_1 C85_1 117.8(16) . . ?
N88_1 C87_1 H87_1 121.1 . . ?
C85_1 C87_1 H87_1 121.1 . . ?
C87_1 N88_1 C89_1 119.3(15) . . ?
C87_1 N88_1 Fe3_1 114.0(12) . . ?
C89_1 N88_1 Fe3_1 126.5(14) . . ?
C90_1 C89_1 C94_1 120.0 . . ?
C90_1 C89_1 N88_1 119.9(12) . . ?
C94_1 C89_1 N88_1 119.9(12) . . ?
C91_1 C90_1 C89_1 120.0 . . ?
C91_1 C90_1 H90_1 120.0 . . ?
C89_1 C90_1 H90_1 120.0 . . ?
C92_1 C91_1 C90_1 120.0 . . ?
C92_1 C91_1 H91_1 120.0 . . ?
C90_1 C91_1 H91_1 120.0 . . ?
C91_1 C92_1 C93_1 120.0 . . ?
C91_1 C92_1 C95_1 120.9(11) . . ?
C93_1 C92_1 C95_1 119.0(11) . . ?
C94_1 C93_1 C92_1 120.0 . . ?
C94_1 C93_1 H93_1 120.0 . . ?
C92_1 C93_1 H93_1 120.0 . . ?
C93_1 C94_1 C89_1 120.0 . . ?
C93_1 C94_1 H94_1 120.0 . . ?
C89_1 C94_1 H94_1 120.0 . . ?
N76_1 C95_1 N96_1 125(2) . . ?
N76_1 C95_1 C92_1 118.8(19) . . ?
N96_1 C95_1 C92_1 116.4(17) . . ?
C95_1 N96_1 C115_1 114(2) . . ?
C102_1 N101_1 C105_1 108.0 . . ?
C102_1 N101_1 Fe4_1 138.9(11) . . ?
C105_1 N101_1 Fe4_1 113.0(11) . . ?
C103_1 C102_1 N101_1 108.0 . . ?
C103_1 C102_1 H102_1 126.0 . . ?
N101_1 C102_1 H102_1 126.0 . . ?
N104_1 C103_1 C102_1 108.0 . . ?
N104_1 C103_1 H103_1 126.0 . . ?
C102_1 C103_1 H103_1 126.0 . . ?
C106_1 N104_1 C105_1 122.2(14) . . ?
C106_1 N104_1 C103_1 129.8(14) . . ?
C105_1 N104_1 C103_1 108.0 . . ?
C107_1 C105_1 N104_1 131.5(13) . . ?
C107_1 C105_1 N101_1 120.5(13) . . ?
N104_1 C105_1 N101_1 108.0 . . ?
N104_1 C106_1 H10A_1 109.5 . . ?
N104_1 C106_1 H10B_1 109.5 . . ?
H10A_1 C106_1 H10B_1 109.5 . . ?
N104_1 C106_1 H10C_1 109.5 . . ?
H10A_1 C106_1 H10C_1 109.5 . . ?
H10B_1 C106_1 H10C_1 109.5 . . ?
N108_1 C107_1 C105_1 117.9(16) . . ?
N108_1 C107_1 H107_1 121.0 . . ?
C105_1 C107_1 H107_1 121.0 . . ?
C107_1 N108_1 C109_1 118.7(15) . . ?
C107_1 N108_1 Fe4_1 113.1(12) . . ?
C109_1 N108_1 Fe4_1 128.2(13) . . ?
C110_1 C109_1 C114_1 120.0 . . ?
C110_1 C109_1 N108_1 119.3(12) . . ?
C114_1 C109_1 N108_1 120.5(12) . . ?
C111_1 C110_1 C109_1 120.0 . . ?
C111_1 C110_1 H110_1 120.0 . . ?
C109_1 C110_1 H110_1 120.0 . . ?
C110_1 C111_1 C112_1 120.0 . . ?
C110_1 C111_1 H111_1 120.0 . . ?
C112_1 C111_1 H111_1 120.0 . . ?
C113_1 C112_1 C111_1 120.0 . . ?
C113_1 C112_1 C115_1 120.7(11) . . ?
C111_1 C112_1 C115_1 119.3(11) . . ?
C112_1 C113_1 C114_1 120.0 . . ?
C112_1 C113_1 H113_1 120.0 . . ?
C114_1 C113_1 H113_1 120.0 . . ?
C113_1 C114_1 C109_1 120.0 . . ?
C113_1 C114_1 H114_1 120.0 . . ?
C109_1 C114_1 H114_1 120.0 . . ?
N116_1 C115_1 N96_1 126(2) . . ?
N116_1 C115_1 C112_1 116.6(17) . . ?
N96_1 C115_1 C112_1 117.6(18) . . ?
C115_1 N116_1 C75_1 113(2) . . ?
C125_1 N121_1 C122_1 108.0 . . ?
C125_1 N121_1 Fe3_1 111.3(10) . . ?
C122_1 N121_1 Fe3_1 140.6(10) . . ?
C123_1 C122_1 N121_1 108.0 . . ?
C123_1 C122_1 H122_1 126.0 . . ?
N121_1 C122_1 H122_1 126.0 . . ?
N124_1 C123_1 C122_1 108.0 . . ?
N124_1 C123_1 H123_1 126.0 . . ?
C122_1 C123_1 H123_1 126.0 . . ?
C126_1 N124_1 C123_1 129.3(14) . . ?
C126_1 N124_1 C125_1 122.7(14) . . ?
C123_1 N124_1 C125_1 108.0 . . ?
C127_1 C125_1 N121_1 120.3(12) . . ?
C127_1 C125_1 N124_1 131.7(12) . . ?
N121_1 C125_1 N124_1 108.0 . . ?
N124_1 C126_1 H12A_1 109.5 . . ?
N124_1 C126_1 H12B_1 109.5 . . ?
H12A_1 C126_1 H12B_1 109.5 . . ?
N124_1 C126_1 H12C_1 109.5 . . ?
H12A_1 C126_1 H12C_1 109.5 . . ?
H12B_1 C126_1 H12C_1 109.5 . . ?
N128_1 C127_1 C125_1 118.6(16) . . ?
N128_1 C127_1 H127_1 120.7 . . ?
C125_1 C127_1 H127_1 120.7 . . ?
C127_1 N128_1 C129_1 115.3(15) . . ?
C127_1 N128_1 Fe3_1 115.0(12) . . ?
C129_1 N128_1 Fe3_1 128.6(14) . . ?
C130_1 C129_1 C134_1 120.0 . . ?
C130_1 C129_1 N128_1 119.7(11) . . ?
C134_1 C129_1 N128_1 120.0(12) . . ?
C131_1 C130_1 C129_1 120.0 . . ?
C131_1 C130_1 H130_1 120.0 . . ?
C129_1 C130_1 H130_1 120.0 . . ?
C130_1 C131_1 C132_1 120.0 . . ?
C130_1 C131_1 H131_1 120.0 . . ?
C132_1 C131_1 H131_1 120.0 . . ?
C133_1 C132_1 C131_1 120.0 . . ?
C133_1 C132_1 C135_1 119.3(11) . . ?
C131_1 C132_1 C135_1 120.2(11) . . ?
C132_1 C133_1 C134_1 120.0 . . ?
C132_1 C133_1 H133_1 120.0 . . ?
C134_1 C133_1 H133_1 120.0 . . ?
C133_1 C134_1 C129_1 120.0 . . ?
C133_1 C134_1 H134_1 120.0 . . ?
C129_1 C134_1 H134_1 120.0 . . ?
N136_1 C135_1 N176_1 126(2) . . ?
N136_1 C135_1 C132_1 117.7(17) . . ?
N176_1 C135_1 C132_1 116.3(18) . . ?
C135_1 N136_1 C155_1 114(2) . . ?
C142_1 N141_1 C145_1 108.0 . . ?
C142_1 N141_1 Fe1_1 140.3(10) . . ?
C145_1 N141_1 Fe1_1 110.5(10) . . ?
C143_1 C142_1 N141_1 108.0 . . ?
C143_1 C142_1 H142_1 126.0 . . ?
N141_1 C142_1 H142_1 126.0 . . ?
N144_1 C143_1 C142_1 108.0 . . ?
N144_1 C143_1 H143_1 126.0 . . ?
C142_1 C143_1 H143_1 126.0 . . ?
C146_1 N144_1 C143_1 129.8(14) . . ?
C146_1 N144_1 C145_1 122.2(14) . . ?
C143_1 N144_1 C145_1 108.0 . . ?
C147_1 C145_1 N141_1 121.1(13) . . ?
C147_1 C145_1 N144_1 130.9(13) . . ?
N141_1 C145_1 N144_1 108.0 . . ?
N144_1 C146_1 H14A_1 109.5 . . ?
N144_1 C146_1 H14B_1 109.5 . . ?
H14A_1 C146_1 H14B_1 109.5 . . ?
N144_1 C146_1 H14C_1 109.5 . . ?
H14A_1 C146_1 H14C_1 109.5 . . ?
H14B_1 C146_1 H14C_1 109.5 . . ?
N148_1 C147_1 C145_1 117.9(16) . . ?
N148_1 C147_1 H147_1 121.0 . . ?
C145_1 C147_1 H147_1 121.0 . . ?
C147_1 N148_1 C149_1 118.1(15) . . ?
C147_1 N148_1 Fe1_1 112.5(12) . . ?
C149_1 N148_1 Fe1_1 129.2(14) . . ?
C150_1 C149_1 C154_1 120.0 . . ?
C150_1 C149_1 N148_1 120.1(12) . . ?
C154_1 C149_1 N148_1 119.8(12) . . ?
C149_1 C150_1 C151_1 120.0 . . ?
C149_1 C150_1 H150_1 120.0 . . ?
C151_1 C150_1 H150_1 120.0 . . ?
C152_1 C151_1 C150_1 120.0 . . ?
C152_1 C151_1 H151_1 120.0 . . ?
C150_1 C151_1 H151_1 120.0 . . ?
C151_1 C152_1 C153_1 120.0 . . ?
C151_1 C152_1 C155_1 120.9(11) . . ?
C153_1 C152_1 C155_1 119.1(11) . . ?
C154_1 C153_1 C152_1 120.0 . . ?
C154_1 C153_1 H153_1 120.0 . . ?
C152_1 C153_1 H153_1 120.0 . . ?
C153_1 C154_1 C149_1 120.0 . . ?
C153_1 C154_1 H154_1 120.0 . . ?
C149_1 C154_1 H154_1 120.0 . . ?
N156_1 C155_1 N136_1 126(2) . . ?
N156_1 C155_1 C152_1 116.9(17) . . ?
N136_1 C155_1 C152_1 117.5(19) . . ?
C175_1 N156_1 C155_1 114(2) . . ?
C162_1 N161_1 C165_1 108.0 . . ?
C162_1 N161_1 Fe4_1 141.0(11) . . ?
C165_1 N161_1 Fe4_1 108.7(11) . . ?
N161_1 C162_1 C163_1 108.0 . . ?
N161_1 C162_1 H162_1 126.0 . . ?
C163_1 C162_1 H162_1 126.0 . . ?
N164_1 C163_1 C162_1 108.0 . . ?
N164_1 C163_1 H163_1 126.0 . . ?
C162_1 C163_1 H163_1 126.0 . . ?
C166_1 N164_1 C163_1 129.9(15) . . ?
C166_1 N164_1 C165_1 122.1(15) . . ?
C163_1 N164_1 C165_1 108.0 . . ?
C167_1 C165_1 N161_1 120.5(13) . . ?
C167_1 C165_1 N164_1 131.5(13) . . ?
N161_1 C165_1 N164_1 108.0 . . ?
N164_1 C166_1 H16A_1 109.5 . . ?
N164_1 C166_1 H16B_1 109.5 . . ?
H16A_1 C166_1 H16B_1 109.5 . . ?
N164_1 C166_1 H16C_1 109.5 . . ?
H16A_1 C166_1 H16C_1 109.5 . . ?
H16B_1 C166_1 H16C_1 109.5 . . ?
N168_1 C167_1 C165_1 119.2(17) . . ?
N168_1 C167_1 H167_1 120.4 . . ?
C165_1 C167_1 H167_1 120.4 . . ?
C167_1 N168_1 C169_1 114.7(16) . . ?
C167_1 N168_1 Fe4_1 115.0(12) . . ?
C169_1 N168_1 Fe4_1 130.3(14) . . ?
C170_1 C169_1 C174_1 120.0 . . ?
C170_1 C169_1 N168_1 118.6(12) . . ?
C174_1 C169_1 N168_1 121.3(12) . . ?
C169_1 C170_1 C171_1 120.0 . . ?
C169_1 C170_1 H170_1 120.0 . . ?
C171_1 C170_1 H170_1 120.0 . . ?
C170_1 C171_1 C172_1 120.0 . . ?
C170_1 C171_1 H171_1 120.0 . . ?
C172_1 C171_1 H171_1 120.0 . . ?
C173_1 C172_1 C171_1 120.0 . . ?
C173_1 C172_1 C175_1 120.2(11) . . ?
C171_1 C172_1 C175_1 119.8(11) . . ?
C174_1 C173_1 C172_1 120.0 . . ?
C174_1 C173_1 H173_1 120.0 . . ?
C172_1 C173_1 H173_1 120.0 . . ?
C173_1 C174_1 C169_1 120.0 . . ?
C173_1 C174_1 H174_1 120.0 . . ?
C169_1 C174_1 H174_1 120.0 . . ?
N156_1 C175_1 N176_1 127(2) . . ?
N156_1 C175_1 C172_1 116.5(18) . . ?
N176_1 C175_1 C172_1 116.7(17) . . ?
C175_1 N176_1 C135_1 113(2) . . ?
C182_1 N181_1 C185_1 108.0 . . ?
C182_1 N181_1 Fe4_1 140.3(10) . . ?
C185_1 N181_1 Fe4_1 111.6(10) . . ?
N181_1 C182_1 C183_1 108.0 . . ?
N181_1 C182_1 H182_1 126.0 . . ?
C183_1 C182_1 H182_1 126.0 . . ?
C182_1 C183_1 N184_1 108.0 . . ?
C182_1 C183_1 H183_1 126.0 . . ?
N184_1 C183_1 H183_1 126.0 . . ?
C186_1 N184_1 C185_1 122.1(14) . . ?
C186_1 N184_1 C183_1 129.9(14) . . ?
C185_1 N184_1 C183_1 108.0 . . ?
C187_1 C185_1 N181_1 121.2(12) . . ?
C187_1 C185_1 N184_1 130.8(12) . . ?
N181_1 C185_1 N184_1 108.0 . . ?
N184_1 C186_1 H18A_1 109.5 . . ?
N184_1 C186_1 H18B_1 109.5 . . ?
H18A_1 C186_1 H18B_1 109.5 . . ?
N184_1 C186_1 H18C_1 109.5 . . ?
H18A_1 C186_1 H18C_1 109.5 . . ?
H18B_1 C186_1 H18C_1 109.5 . . ?
N188_1 C187_1 C185_1 117.8(16) . . ?
N188_1 C187_1 H187_1 121.1 . . ?
C185_1 C187_1 H187_1 121.1 . . ?
C187_1 N188_1 C189_1 116.7(15) . . ?
C187_1 N188_1 Fe4_1 113.7(12) . . ?
C189_1 N188_1 Fe4_1 127.3(15) . . ?
C190_1 C189_1 C194_1 120.0 . . ?
C190_1 C189_1 N188_1 119.8(12) . . ?
C194_1 C189_1 N188_1 120.1(12) . . ?
C191_1 C190_1 C189_1 120.0 . . ?
C191_1 C190_1 H190_1 120.0 . . ?
C189_1 C190_1 H190_1 120.0 . . ?
C190_1 C191_1 C192_1 120.0 . . ?
C190_1 C191_1 H191_1 120.0 . . ?
C192_1 C191_1 H191_1 120.0 . . ?
C191_1 C192_1 C193_1 120.0 . . ?
C191_1 C192_1 C195_1 120.3(11) . . ?
C193_1 C192_1 C195_1 119.0(11) . . ?
C194_1 C193_1 C192_1 120.0 . . ?
C194_1 C193_1 H193_1 120.0 . . ?
C192_1 C193_1 H193_1 120.0 . . ?
C193_1 C194_1 C189_1 120.0 . . ?
C193_1 C194_1 H194_1 120.0 . . ?
C189_1 C194_1 H194_1 120.0 . . ?
N236_1 C195_1 N196_1 126(2) . . ?
N236_1 C195_1 C192_1 116.4(19) . . ?
N196_1 C195_1 C192_1 117.5(17) . . ?
C215_1 N196_1 C195_1 113(2) . . ?
C202_1 N201_1 C205_1 108.0 . . ?
C202_1 N201_1 Fe1_1 140.6(10) . . ?
C205_1 N201_1 Fe1_1 110.7(10) . . ?
C203_1 C202_1 N201_1 108.0 . . ?
C203_1 C202_1 H202_1 126.0 . . ?
N201_1 C202_1 H202_1 126.0 . . ?
C202_1 C203_1 N204_1 108.0 . . ?
C202_1 C203_1 H203_1 126.0 . . ?
N204_1 C203_1 H203_1 126.0 . . ?
C206_1 N204_1 C205_1 121.6(14) . . ?
C206_1 N204_1 C203_1 130.4(14) . . ?
C205_1 N204_1 C203_1 108.0 . . ?
C207_1 C205_1 N204_1 131.0(13) . . ?
C207_1 C205_1 N201_1 121.0(13) . . ?
N204_1 C205_1 N201_1 108.0 . . ?
N204_1 C206_1 H20A_1 109.5 . . ?
N204_1 C206_1 H20B_1 109.5 . . ?
H20A_1 C206_1 H20B_1 109.5 . . ?
N204_1 C206_1 H20C_1 109.5 . . ?
H20A_1 C206_1 H20C_1 109.5 . . ?
H20B_1 C206_1 H20C_1 109.5 . . ?
N208_1 C207_1 C205_1 118.5(16) . . ?
N208_1 C207_1 H207_1 120.7 . . ?
C205_1 C207_1 H207_1 120.7 . . ?
C207_1 N208_1 C209_1 118.8(16) . . ?
C207_1 N208_1 Fe1_1 112.5(12) . . ?
C209_1 N208_1 Fe1_1 128.3(14) . . ?
C210_1 C209_1 C214_1 120.0 . . ?
C210_1 C209_1 N208_1 120.4(12) . . ?
C214_1 C209_1 N208_1 119.6(12) . . ?
C211_1 C210_1 C209_1 120.0 . . ?
C211_1 C210_1 H210_1 120.0 . . ?
C209_1 C210_1 H210_1 120.0 . . ?
C210_1 C211_1 C212_1 120.0 . . ?
C210_1 C211_1 H211_1 120.0 . . ?
C212_1 C211_1 H211_1 120.0 . . ?
C211_1 C212_1 C213_1 120.0 . . ?
C211_1 C212_1 C215_1 121.1(11) . . ?
C213_1 C212_1 C215_1 118.9(11) . . ?
C214_1 C213_1 C212_1 120.0 . . ?
C214_1 C213_1 H213_1 120.0 . . ?
C212_1 C213_1 H213_1 120.0 . . ?
C213_1 C214_1 C209_1 120.0 . . ?
C213_1 C214_1 H214_1 120.0 . . ?
C209_1 C214_1 H214_1 120.0 . . ?
N196_1 C215_1 N216_1 126(2) . . ?
N196_1 C215_1 C212_1 117.3(19) . . ?
N216_1 C215_1 C212_1 116.8(17) . . ?
C235_1 N216_1 C215_1 114(2) . . ?
C225_1 N221_1 C222_1 108.0 . . ?
C225_1 N221_1 Fe2_1 109.6(11) . . ?
C222_1 N221_1 Fe2_1 140.7(11) . . ?
C223_1 C222_1 N221_1 108.0 . . ?
C223_1 C222_1 H222_1 126.0 . . ?
N221_1 C222_1 H222_1 126.0 . . ?
N224_1 C223_1 C222_1 108.0 . . ?
N224_1 C223_1 H223_1 126.0 . . ?
C222_1 C223_1 H223_1 126.0 . . ?
C226_1 N224_1 C223_1 129.3(15) . . ?
C226_1 N224_1 C225_1 122.7(15) . . ?
C223_1 N224_1 C225_1 108.0 . . ?
C227_1 C225_1 N224_1 131.4(13) . . ?
C227_1 C225_1 N221_1 120.6(13) . . ?
N224_1 C225_1 N221_1 108.0 . . ?
N224_1 C226_1 H22A_1 109.5 . . ?
N224_1 C226_1 H22B_1 109.5 . . ?
H22A_1 C226_1 H22B_1 109.5 . . ?
N224_1 C226_1 H22C_1 109.5 . . ?
H22A_1 C226_1 H22C_1 109.5 . . ?
H22B_1 C226_1 H22C_1 109.5 . . ?
N228_1 C227_1 C225_1 119.2(17) . . ?
N228_1 C227_1 H227_1 120.4 . . ?
C225_1 C227_1 H227_1 120.4 . . ?
C227_1 N228_1 C229_1 115.4(15) . . ?
C227_1 N228_1 Fe2_1 113.6(12) . . ?
C229_1 N228_1 Fe2_1 131.0(14) . . ?
C230_1 C229_1 C234_1 120.0 . . ?
C230_1 C229_1 N228_1 119.5(12) . . ?
C234_1 C229_1 N228_1 120.4(12) . . ?
C229_1 C230_1 C231_1 120.0 . . ?
C229_1 C230_1 H230_1 120.0 . . ?
C231_1 C230_1 H230_1 120.0 . . ?
C230_1 C231_1 C232_1 120.0 . . ?
C230_1 C231_1 H231_1 120.0 . . ?
C232_1 C231_1 H231_1 120.0 . . ?
C233_1 C232_1 C231_1 120.0 . . ?
C233_1 C232_1 C235_1 120.8(12) . . ?
C231_1 C232_1 C235_1 119.2(12) . . ?
C232_1 C233_1 C234_1 120.0 . . ?
C232_1 C233_1 H233_1 120.0 . . ?
C234_1 C233_1 H233_1 120.0 . . ?
C233_1 C234_1 C229_1 120.0 . . ?
C233_1 C234_1 H234_1 120.0 . . ?
C229_1 C234_1 H234_1 120.0 . . ?
N216_1 C235_1 N236_1 126(2) . . ?
N216_1 C235_1 C232_1 117(2) . . ?
N236_1 C235_1 C232_1 117.1(17) . . ?
C195_1 N236_1 C235_1 115(2) . . ?
N1_2 Fe1_2 N141_2 89.6(9) . . ?
N1_2 Fe1_2 N201_2 91.0(8) . . ?
N141_2 Fe1_2 N201_2 98.4(8) . . ?
N1_2 Fe1_2 N208_2 98.5(10) . . ?
N141_2 Fe1_2 N208_2 170.7(9) . . ?
N201_2 Fe1_2 N208_2 77.1(8) . . ?
N1_2 Fe1_2 N8_2 76.1(7) . . ?
N141_2 Fe1_2 N8_2 92.2(10) . . ?
N201_2 Fe1_2 N8_2 163.3(9) . . ?
N208_2 Fe1_2 N8_2 94.2(10) . . ?
N1_2 Fe1_2 N148_2 164.7(9) . . ?
N141_2 Fe1_2 N148_2 75.2(8) . . ?
N201_2 Fe1_2 N148_2 89.6(9) . . ?
N208_2 Fe1_2 N148_2 96.5(9) . . ?
N8_2 Fe1_2 N148_2 105.7(9) . . ?
N21_2 Fe2_2 N221_2 89.7(8) . . ?
N21_2 Fe2_2 N61_2 93.6(9) . . ?
N221_2 Fe2_2 N61_2 98.7(9) . . ?
N21_2 Fe2_2 N68_2 98.4(9) . . ?
N221_2 Fe2_2 N68_2 169.7(9) . . ?
N61_2 Fe2_2 N68_2 74.6(8) . . ?
N21_2 Fe2_2 N228_2 163.9(8) . . ?
N221_2 Fe2_2 N228_2 74.2(7) . . ?
N61_2 Fe2_2 N228_2 89.2(10) . . ?
N68_2 Fe2_2 N228_2 97.6(9) . . ?
N21_2 Fe2_2 N28_2 74.1(7) . . ?
N221_2 Fe2_2 N28_2 92.3(10) . . ?
N61_2 Fe2_2 N28_2 163.5(9) . . ?
N68_2 Fe2_2 N28_2 96.0(9) . . ?
N228_2 Fe2_2 N28_2 105.7(10) . . ?
N41_2 Fe3_2 N81_2 88.7(9) . . ?
N41_2 Fe3_2 N121_2 89.3(9) . . ?
N81_2 Fe3_2 N121_2 98.0(8) . . ?
N41_2 Fe3_2 N128_2 97.6(10) . . ?
N81_2 Fe3_2 N128_2 170.7(9) . . ?
N121_2 Fe3_2 N128_2 75.4(8) . . ?
N41_2 Fe3_2 N88_2 163.9(9) . . ?
N81_2 Fe3_2 N88_2 75.2(7) . . ?
N121_2 Fe3_2 N88_2 91.5(10) . . ?
N128_2 Fe3_2 N88_2 98.1(9) . . ?
N41_2 Fe3_2 N48_2 76.6(8) . . ?
N81_2 Fe3_2 N48_2 93.8(10) . . ?
N121_2 Fe3_2 N48_2 161.4(10) . . ?
N128_2 Fe3_2 N48_2 94.3(10) . . ?
N88_2 Fe3_2 N48_2 105.5(9) . . ?
N181_2 Fe4_2 N161_2 85.9(8) . . ?
N181_2 Fe4_2 N101_2 87.3(8) . . ?
N161_2 Fe4_2 N101_2 86.9(8) . . ?
N181_2 Fe4_2 N168_2 162.5(8) . . ?
N161_2 Fe4_2 N168_2 77.0(7) . . ?
N101_2 Fe4_2 N168_2 95.1(10) . . ?
N181_2 Fe4_2 N188_2 76.1(7) . . ?
N161_2 Fe4_2 N188_2 94.3(9) . . ?
N101_2 Fe4_2 N188_2 163.2(8) . . ?
N168_2 Fe4_2 N188_2 101.5(9) . . ?
N181_2 Fe4_2 N108_2 95.7(10) . . ?
N161_2 Fe4_2 N108_2 163.6(8) . . ?
N101_2 Fe4_2 N108_2 76.9(7) . . ?
N168_2 Fe4_2 N108_2 101.7(10) . . ?
N188_2 Fe4_2 N108_2 101.9(9) . . ?
C5_2 N1_2 C2_2 108.0 . . ?
C5_2 N1_2 Fe1_2 111.3(10) . . ?
C2_2 N1_2 Fe1_2 140.0(10) . . ?
C3_2 C2_2 N1_2 108.0 . . ?
C3_2 C2_2 H2_2 126.0 . . ?
N1_2 C2_2 H2_2 126.0 . . ?
N4_2 C3_2 C2_2 108.0 . . ?
N4_2 C3_2 H3_2 126.0 . . ?
C2_2 C3_2 H3_2 126.0 . . ?
C6_2 N4_2 C3_2 130.4(14) . . ?
C6_2 N4_2 C5_2 121.6(14) . . ?
C3_2 N4_2 C5_2 108.0 . . ?
C7_2 C5_2 N1_2 121.3(12) . . ?
C7_2 C5_2 N4_2 130.7(12) . . ?
N1_2 C5_2 N4_2 108.0 . . ?
N4_2 C6_2 H6A_2 109.5 . . ?
N4_2 C6_2 H6B_2 109.5 . . ?
H6A_2 C6_2 H6B_2 109.5 . . ?
N4_2 C6_2 H6C_2 109.5 . . ?
H6A_2 C6_2 H6C_2 109.5 . . ?
H6B_2 C6_2 H6C_2 109.5 . . ?
N8_2 C7_2 C5_2 117.4(16) . . ?
N8_2 C7_2 H7_2 121.3 . . ?
C5_2 C7_2 H7_2 121.3 . . ?
C7_2 N8_2 C9_2 117.8(15) . . ?
C7_2 N8_2 Fe1_2 113.1(12) . . ?
C9_2 N8_2 Fe1_2 129.1(13) . . ?
C10_2 C9_2 C14_2 120.0 . . ?
C10_2 C9_2 N8_2 120.0(12) . . ?
C14_2 C9_2 N8_2 119.6(11) . . ?
C11_2 C10_2 C9_2 120.0 . . ?
C11_2 C10_2 H10_2 120.0 . . ?
C9_2 C10_2 H10_2 120.0 . . ?
C12_2 C11_2 C10_2 120.0 . . ?
C12_2 C11_2 H11_2 120.0 . . ?
C10_2 C11_2 H11_2 120.0 . . ?
C13_2 C12_2 C11_2 120.0 . . ?
C13_2 C12_2 C15_2 119.4(11) . . ?
C11_2 C12_2 C15_2 120.6(11) . . ?
C12_2 C13_2 C14_2 120.0 . . ?
C12_2 C13_2 H13_2 120.0 . . ?
C14_2 C13_2 H13_2 120.0 . . ?
C13_2 C14_2 C9_2 120.0 . . ?
C13_2 C14_2 H14_2 120.0 . . ?
C9_2 C14_2 H14_2 120.0 . . ?
N16_2 C15_2 N56_2 126(2) . . ?
N16_2 C15_2 C12_2 117.0(16) . . ?
N56_2 C15_2 C12_2 117.1(18) . . ?
C15_2 N16_2 C35_2 112(2) . . ?
C22_2 N21_2 C25_2 108.0 . . ?
C22_2 N21_2 Fe2_2 138.7(11) . . ?
C25_2 N21_2 Fe2_2 112.4(11) . . ?
N21_2 C22_2 C23_2 108.0 . . ?
N21_2 C22_2 H22_2 126.0 . . ?
C23_2 C22_2 H22_2 126.0 . . ?
N24_2 C23_2 C22_2 108.0 . . ?
N24_2 C23_2 H23_2 126.0 . . ?
C22_2 C23_2 H23_2 126.0 . . ?
C26_2 N24_2 C25_2 121.9(14) . . ?
C26_2 N24_2 C23_2 130.1(14) . . ?
C25_2 N24_2 C23_2 108.0 . . ?
C27_2 C25_2 N24_2 130.4(13) . . ?
C27_2 C25_2 N21_2 121.6(13) . . ?
N24_2 C25_2 N21_2 108.0 . . ?
N24_2 C26_2 H26A_2 109.5 . . ?
N24_2 C26_2 H26B_2 109.5 . . ?
H26A_2 C26_2 H26B_2 109.5 . . ?
N24_2 C26_2 H26C_2 109.5 . . ?
H26A_2 C26_2 H26C_2 109.5 . . ?
H26B_2 C26_2 H26C_2 109.5 . . ?
N28_2 C27_2 C25_2 117.6(16) . . ?
N28_2 C27_2 H27_2 121.2 . . ?
C25_2 C27_2 H27_2 121.2 . . ?
C27_2 N28_2 C29_2 118.8(15) . . ?
C27_2 N28_2 Fe2_2 113.8(12) . . ?
C29_2 N28_2 Fe2_2 126.6(14) . . ?
C30_2 C29_2 C34_2 120.0 . . ?
C30_2 C29_2 N28_2 119.3(12) . . ?
C34_2 C29_2 N28_2 120.6(12) . . ?
C31_2 C30_2 C29_2 120.0 . . ?
C31_2 C30_2 H30_2 120.0 . . ?
C29_2 C30_2 H30_2 120.0 . . ?
C32_2 C31_2 C30_2 120.0 . . ?
C32_2 C31_2 H31_2 120.0 . . ?
C30_2 C31_2 H31_2 120.0 . . ?
C31_2 C32_2 C33_2 120.0 . . ?
C31_2 C32_2 C35_2 119.3(11) . . ?
C33_2 C32_2 C35_2 120.6(11) . . ?
C34_2 C33_2 C32_2 120.0 . . ?
C34_2 C33_2 H33_2 120.0 . . ?
C32_2 C33_2 H33_2 120.0 . . ?
C33_2 C34_2 C29_2 120.0 . . ?
C33_2 C34_2 H34_2 120.0 . . ?
C29_2 C34_2 H34_2 120.0 . . ?
N36_2 C35_2 N16_2 126(2) . . ?
N36_2 C35_2 C32_2 118.2(17) . . ?
N16_2 C35_2 C32_2 115.4(17) . . ?
C55_2 N36_2 C35_2 116(2) . . ?
C42_2 N41_2 C45_2 108.0 . . ?
C42_2 N41_2 Fe3_2 140.3(11) . . ?
C45_2 N41_2 Fe3_2 110.9(11) . . ?
N41_2 C42_2 C43_2 108.0 . . ?
N41_2 C42_2 H42_2 126.0 . . ?
C43_2 C42_2 H42_2 126.0 . . ?
N44_2 C43_2 C42_2 108.0 . . ?
N44_2 C43_2 H43_2 126.0 . . ?
C42_2 C43_2 H43_2 126.0 . . ?
C46_2 N44_2 C45_2 121.3(14) . . ?
C46_2 N44_2 C43_2 130.7(15) . . ?
C45_2 N44_2 C43_2 108.0 . . ?
C47_2 C45_2 N44_2 131.1(13) . . ?
C47_2 C45_2 N41_2 120.9(13) . . ?
N44_2 C45_2 N41_2 108.0 . . ?
N44_2 C46_2 H46A_2 109.5 . . ?
N44_2 C46_2 H46B_2 109.5 . . ?
H46A_2 C46_2 H46B_2 109.5 . . ?
N44_2 C46_2 H46C_2 109.5 . . ?
H46A_2 C46_2 H46C_2 109.5 . . ?
H46B_2 C46_2 H46C_2 109.5 . . ?
N48_2 C47_2 C45_2 118.0(16) . . ?
N48_2 C47_2 H47_2 121.0 . . ?
C45_2 C47_2 H47_2 121.0 . . ?
C47_2 N48_2 C49_2 118.9(16) . . ?
C47_2 N48_2 Fe3_2 112.2(12) . . ?
C49_2 N48_2 Fe3_2 128.9(14) . . ?
C50_2 C49_2 C54_2 120.0 . . ?
C50_2 C49_2 N48_2 119.9(12) . . ?
C54_2 C49_2 N48_2 119.9(12) . . ?
C51_2 C50_2 C49_2 120.0 . . ?
C51_2 C50_2 H50_2 120.0 . . ?
C49_2 C50_2 H50_2 120.0 . . ?
C50_2 C51_2 C52_2 120.0 . . ?
C50_2 C51_2 H51_2 120.0 . . ?
C52_2 C51_2 H51_2 120.0 . . ?
C51_2 C52_2 C53_2 120.0 . . ?
C51_2 C52_2 C55_2 121.4(11) . . ?
C53_2 C52_2 C55_2 118.6(11) . . ?
C54_2 C53_2 C52_2 120.0 . . ?
C54_2 C53_2 H53_2 120.0 . . ?
C52_2 C53_2 H53_2 120.0 . . ?
C53_2 C54_2 C49_2 120.0 . . ?
C53_2 C54_2 H54_2 120.0 . . ?
C49_2 C54_2 H54_2 120.0 . . ?
N36_2 C55_2 N56_2 125(2) . . ?
N36_2 C55_2 C52_2 118.0(18) . . ?
N56_2 C55_2 C52_2 116.6(17) . . ?
C55_2 N56_2 C15_2 115(2) . . ?
C62_2 N61_2 C65_2 108.0 . . ?
C62_2 N61_2 Fe2_2 139.8(11) . . ?
C65_2 N61_2 Fe2_2 109.5(11) . . ?
C63_2 C62_2 N61_2 108.0 . . ?
C63_2 C62_2 H62_2 126.0 . . ?
N61_2 C62_2 H62_2 126.0 . . ?
N64_2 C63_2 C62_2 108.0 . . ?
N64_2 C63_2 H63_2 126.0 . . ?
C62_2 C63_2 H63_2 126.0 . . ?
C66_2 N64_2 C63_2 129.9(15) . . ?
C66_2 N64_2 C65_2 122.1(15) . . ?
C63_2 N64_2 C65_2 108.0 . . ?
C67_2 C65_2 N61_2 120.9(13) . . ?
C67_2 C65_2 N64_2 131.1(13) . . ?
N61_2 C65_2 N64_2 108.0 . . ?
N64_2 C66_2 H66A_2 109.5 . . ?
N64_2 C66_2 H66B_2 109.5 . . ?
H66A_2 C66_2 H66B_2 109.5 . . ?
N64_2 C66_2 H66C_2 109.5 . . ?
H66A_2 C66_2 H66C_2 109.5 . . ?
H66B_2 C66_2 H66C_2 109.5 . . ?
N68_2 C67_2 C65_2 118.0(17) . . ?
N68_2 C67_2 H67_2 121.0 . . ?
C65_2 C67_2 H67_2 121.0 . . ?
C67_2 N68_2 C69_2 115.3(16) . . ?
C67_2 N68_2 Fe2_2 115.1(12) . . ?
C69_2 N68_2 Fe2_2 129.6(15) . . ?
C70_2 C69_2 C74_2 120.0 . . ?
C70_2 C69_2 N68_2 118.9(12) . . ?
C74_2 C69_2 N68_2 121.0(12) . . ?
C71_2 C70_2 C69_2 120.0 . . ?
C71_2 C70_2 H70_2 120.0 . . ?
C69_2 C70_2 H70_2 120.0 . . ?
C72_2 C71_2 C70_2 120.0 . . ?
C72_2 C71_2 H71_2 120.0 . . ?
C70_2 C71_2 H71_2 120.0 . . ?
C71_2 C72_2 C73_2 120.0 . . ?
C71_2 C72_2 C75_2 119.5(11) . . ?
C73_2 C72_2 C75_2 120.4(11) . . ?
C74_2 C73_2 C72_2 120.0 . . ?
C74_2 C73_2 H73_2 120.0 . . ?
C72_2 C73_2 H73_2 120.0 . . ?
C73_2 C74_2 C69_2 120.0 . . ?
C73_2 C74_2 H74_2 120.0 . . ?
C69_2 C74_2 H74_2 120.0 . . ?
N76_2 C75_2 N116_2 125(2) . . ?
N76_2 C75_2 C72_2 118.4(18) . . ?
N116_2 C75_2 C72_2 116.6(19) . . ?
C75_2 N76_2 C95_2 115(2) . . ?
C82_2 N81_2 C85_2 108.0 . . ?
C82_2 N81_2 Fe3_2 141.4(11) . . ?
C85_2 N81_2 Fe3_2 110.6(11) . . ?
C83_2 C82_2 N81_2 108.0 . . ?
C83_2 C82_2 H82_2 126.0 . . ?
N81_2 C82_2 H82_2 126.0 . . ?
N84_2 C83_2 C82_2 108.0 . . ?
N84_2 C83_2 H83_2 126.0 . . ?
C82_2 C83_2 H83_2 126.0 . . ?
C86_2 N84_2 C83_2 130.1(14) . . ?
C86_2 N84_2 C85_2 121.9(14) . . ?
C83_2 N84_2 C85_2 108.0 . . ?
C87_2 C85_2 N84_2 130.8(13) . . ?
C87_2 C85_2 N81_2 121.2(13) . . ?
N84_2 C85_2 N81_2 108.0 . . ?
N84_2 C86_2 H86A_2 109.5 . . ?
N84_2 C86_2 H86B_2 109.5 . . ?
H86A_2 C86_2 H86B_2 109.5 . . ?
N84_2 C86_2 H86C_2 109.5 . . ?
H86A_2 C86_2 H86C_2 109.5 . . ?
H86B_2 C86_2 H86C_2 109.5 . . ?
N88_2 C87_2 C85_2 117.8(16) . . ?
N88_2 C87_2 H87_2 121.1 . . ?
C85_2 C87_2 H87_2 121.1 . . ?
C87_2 N88_2 C89_2 116.1(15) . . ?
C87_2 N88_2 Fe3_2 115.2(12) . . ?
C89_2 N88_2 Fe3_2 127.7(14) . . ?
C90_2 C89_2 C94_2 120.0 . . ?
C90_2 C89_2 N88_2 119.3(12) . . ?
C94_2 C89_2 N88_2 120.5(12) . . ?
C91_2 C90_2 C89_2 120.0 . . ?
C91_2 C90_2 H90_2 120.0 . . ?
C89_2 C90_2 H90_2 120.0 . . ?
C92_2 C91_2 C90_2 120.0 . . ?
C92_2 C91_2 H91_2 120.0 . . ?
C90_2 C91_2 H91_2 120.0 . . ?
C91_2 C92_2 C93_2 120.0 . . ?
C91_2 C92_2 C95_2 119.1(11) . . ?
C93_2 C92_2 C95_2 120.2(12) . . ?
C92_2 C93_2 C94_2 120.0 . . ?
C92_2 C93_2 H93_2 120.0 . . ?
C94_2 C93_2 H93_2 120.0 . . ?
C93_2 C94_2 C89_2 120.0 . . ?
C93_2 C94_2 H94_2 120.0 . . ?
C89_2 C94_2 H94_2 120.0 . . ?
N96_2 C95_2 N76_2 128(2) . . ?
N96_2 C95_2 C92_2 117.0(18) . . ?
N76_2 C95_2 C92_2 115.3(19) . . ?
C95_2 N96_2 C115_2 112(2) . . ?
C105_2 N101_2 C102_2 108.0 . . ?
C105_2 N101_2 Fe4_2 110.6(10) . . ?
C102_2 N101_2 Fe4_2 140.0(10) . . ?
C103_2 C102_2 N101_2 108.0 . . ?
C103_2 C102_2 H102_2 126.0 . . ?
N101_2 C102_2 H102_2 126.0 . . ?
N104_2 C103_2 C102_2 108.0 . . ?
N104_2 C103_2 H103_2 126.0 . . ?
C102_2 C103_2 H103_2 126.0 . . ?
C106_2 N104_2 C105_2 122.6(14) . . ?
C106_2 N104_2 C103_2 129.4(14) . . ?
C105_2 N104_2 C103_2 108.0 . . ?
C107_2 C105_2 N101_2 120.5(12) . . ?
C107_2 C105_2 N104_2 131.5(12) . . ?
N101_2 C105_2 N104_2 108.0 . . ?
N104_2 C106_2 H10A_2 109.5 . . ?
N104_2 C106_2 H10B_2 109.5 . . ?
H10A_2 C106_2 H10B_2 109.5 . . ?
N104_2 C106_2 H10C_2 109.5 . . ?
H10A_2 C106_2 H10C_2 109.5 . . ?
H10B_2 C106_2 H10C_2 109.5 . . ?
N108_2 C107_2 C105_2 119.5(16) . . ?
N108_2 C107_2 H107_2 120.2 . . ?
C105_2 C107_2 H107_2 120.2 . . ?
C107_2 N108_2 C109_2 119.4(15) . . ?
C107_2 N108_2 Fe4_2 111.6(12) . . ?
C109_2 N108_2 Fe4_2 128.4(14) . . ?
C110_2 C109_2 C114_2 120.0 . . ?
C110_2 C109_2 N108_2 118.5(12) . . ?
C114_2 C109_2 N108_2 121.5(12) . . ?
C109_2 C110_2 C111_2 120.0 . . ?
C109_2 C110_2 H110_2 120.0 . . ?
C111_2 C110_2 H110_2 120.0 . . ?
C112_2 C111_2 C110_2 120.0 . . ?
C112_2 C111_2 H111_2 120.0 . . ?
C110_2 C111_2 H111_2 120.0 . . ?
C111_2 C112_2 C113_2 120.0 . . ?
C111_2 C112_2 C115_2 118.4(12) . . ?
C113_2 C112_2 C115_2 121.6(12) . . ?
C114_2 C113_2 C112_2 120.0 . . ?
C114_2 C113_2 H113_2 120.0 . . ?
C112_2 C113_2 H113_2 120.0 . . ?
C113_2 C114_2 C109_2 120.0 . . ?
C113_2 C114_2 H114_2 120.0 . . ?
C109_2 C114_2 H114_2 120.0 . . ?
N116_2 C115_2 N96_2 128(2) . . ?
N116_2 C115_2 C112_2 116.1(17) . . ?
N96_2 C115_2 C112_2 115.8(19) . . ?
C115_2 N116_2 C75_2 113(2) . . ?
C122_2 N121_2 C125_2 108.0 . . ?
C122_2 N121_2 Fe3_2 141.1(11) . . ?
C125_2 N121_2 Fe3_2 109.0(10) . . ?
N121_2 C122_2 C123_2 108.0 . . ?
N121_2 C122_2 H122_2 126.0 . . ?
C123_2 C122_2 H122_2 126.0 . . ?
N124_2 C123_2 C122_2 108.0 . . ?
N124_2 C123_2 H123_2 126.0 . . ?
C122_2 C123_2 H123_2 126.0 . . ?
C126_2 N124_2 C125_2 121.7(15) . . ?
C126_2 N124_2 C123_2 130.3(15) . . ?
C125_2 N124_2 C123_2 108.0 . . ?
C127_2 C125_2 N124_2 131.4(13) . . ?
C127_2 C125_2 N121_2 120.6(13) . . ?
N124_2 C125_2 N121_2 108.0 . . ?
N124_2 C126_2 H12A_2 109.5 . . ?
N124_2 C126_2 H12B_2 109.5 . . ?
H12A_2 C126_2 H12B_2 109.5 . . ?
N124_2 C126_2 H12C_2 109.5 . . ?
H12A_2 C126_2 H12C_2 109.5 . . ?
H12B_2 C126_2 H12C_2 109.5 . . ?
N128_2 C127_2 C125_2 118.9(16) . . ?
N128_2 C127_2 H127_2 120.5 . . ?
C125_2 C127_2 H127_2 120.5 . . ?
C127_2 N128_2 C129_2 115.7(15) . . ?
C127_2 N128_2 Fe3_2 115.0(12) . . ?
C129_2 N128_2 Fe3_2 129.2(14) . . ?
C130_2 C129_2 C134_2 120.0 . . ?
C130_2 C129_2 N128_2 120.3(12) . . ?
C134_2 C129_2 N128_2 119.6(12) . . ?
C129_2 C130_2 C131_2 120.0 . . ?
C129_2 C130_2 H130_2 120.0 . . ?
C131_2 C130_2 H130_2 120.0 . . ?
C132_2 C131_2 C130_2 120.0 . . ?
C132_2 C131_2 H131_2 120.0 . . ?
C130_2 C131_2 H131_2 120.0 . . ?
C131_2 C132_2 C133_2 120.0 . . ?
C131_2 C132_2 C135_2 121.2(11) . . ?
C133_2 C132_2 C135_2 118.7(11) . . ?
C134_2 C133_2 C132_2 120.0 . . ?
C134_2 C133_2 H133_2 120.0 . . ?
C132_2 C133_2 H133_2 120.0 . . ?
C133_2 C134_2 C129_2 120.0 . . ?
C133_2 C134_2 H134_2 120.0 . . ?
C129_2 C134_2 H134_2 120.0 . . ?
N136_2 C135_2 N176_2 126(2) . . ?
N136_2 C135_2 C132_2 117.2(17) . . ?
N176_2 C135_2 C132_2 116.7(18) . . ?
C135_2 N136_2 C155_2 113(2) . . ?
C142_2 N141_2 C145_2 108.0 . . ?
C142_2 N141_2 Fe1_2 140.3(10) . . ?
C145_2 N141_2 Fe1_2 111.5(10) . . ?
N141_2 C142_2 C143_2 108.0 . . ?
N141_2 C142_2 H142_2 126.0 . . ?
C143_2 C142_2 H142_2 126.0 . . ?
N144_2 C143_2 C142_2 108.0 . . ?
N144_2 C143_2 H143_2 126.0 . . ?
C142_2 C143_2 H143_2 126.0 . . ?
C146_2 N144_2 C143_2 129.5(14) . . ?
C146_2 N144_2 C145_2 122.5(14) . . ?
C143_2 N144_2 C145_2 108.0 . . ?
C147_2 C145_2 N144_2 131.5(13) . . ?
C147_2 C145_2 N141_2 120.5(13) . . ?
N144_2 C145_2 N141_2 108.0 . . ?
N144_2 C146_2 H14A_2 109.5 . . ?
N144_2 C146_2 H14B_2 109.5 . . ?
H14A_2 C146_2 H14B_2 109.5 . . ?
N144_2 C146_2 H14C_2 109.5 . . ?
H14A_2 C146_2 H14C_2 109.5 . . ?
H14B_2 C146_2 H14C_2 109.5 . . ?
N148_2 C147_2 C145_2 118.8(16) . . ?
N148_2 C147_2 H147_2 120.6 . . ?
C145_2 C147_2 H147_2 120.6 . . ?
C147_2 N148_2 C149_2 115.8(15) . . ?
C147_2 N148_2 Fe1_2 113.7(12) . . ?
C149_2 N148_2 Fe1_2 128.7(15) . . ?
C150_2 C149_2 C154_2 120.0 . . ?
C150_2 C149_2 N148_2 120.6(12) . . ?
C154_2 C149_2 N148_2 119.2(12) . . ?
C151_2 C150_2 C149_2 120.0 . . ?
C151_2 C150_2 H150_2 120.0 . . ?
C149_2 C150_2 H150_2 120.0 . . ?
C152_2 C151_2 C150_2 120.0 . . ?
C152_2 C151_2 H151_2 120.0 . . ?
C150_2 C151_2 H151_2 120.0 . . ?
C151_2 C152_2 C153_2 120.0 . . ?
C151_2 C152_2 C155_2 119.2(11) . . ?
C153_2 C152_2 C155_2 120.1(12) . . ?
C154_2 C153_2 C152_2 120.0 . . ?
C154_2 C153_2 H153_2 120.0 . . ?
C152_2 C153_2 H153_2 120.0 . . ?
C153_2 C154_2 C149_2 120.0 . . ?
C153_2 C154_2 H154_2 120.0 . . ?
C149_2 C154_2 H154_2 120.0 . . ?
N136_2 C155_2 N156_2 128(2) . . ?
N136_2 C155_2 C152_2 114.4(19) . . ?
N156_2 C155_2 C152_2 118.0(17) . . ?
C155_2 N156_2 C175_2 114(2) . . ?
C165_2 N161_2 C162_2 108.0 . . ?
C165_2 N161_2 Fe4_2 110.6(11) . . ?
C162_2 N161_2 Fe4_2 140.3(11) . . ?
N161_2 C162_2 C163_2 108.0 . . ?
N161_2 C162_2 H162_2 126.0 . . ?
C163_2 C162_2 H162_2 126.0 . . ?
C162_2 C163_2 N164_2 108.0 . . ?
C162_2 C163_2 H163_2 126.0 . . ?
N164_2 C163_2 H163_2 126.0 . . ?
C166_2 N164_2 C165_2 123.2(14) . . ?
C166_2 N164_2 C163_2 128.8(14) . . ?
C165_2 N164_2 C163_2 108.0 . . ?
C167_2 C165_2 N164_2 132.0(13) . . ?
C167_2 C165_2 N161_2 120.0(13) . . ?
N164_2 C165_2 N161_2 108.0 . . ?
N164_2 C166_2 H16A_2 109.5 . . ?
N164_2 C166_2 H16B_2 109.5 . . ?
H16A_2 C166_2 H16B_2 109.5 . . ?
N164_2 C166_2 H16C_2 109.5 . . ?
H16A_2 C166_2 H16C_2 109.5 . . ?
H16B_2 C166_2 H16C_2 109.5 . . ?
N168_2 C167_2 C165_2 118.7(16) . . ?
N168_2 C167_2 H167_2 120.6 . . ?
C165_2 C167_2 H167_2 120.6 . . ?
C167_2 N168_2 C169_2 118.3(15) . . ?
C167_2 N168_2 Fe4_2 112.8(12) . . ?
C169_2 N168_2 Fe4_2 128.7(14) . . ?
C170_2 C169_2 C174_2 120.0 . . ?
C170_2 C169_2 N168_2 120.1(12) . . ?
C174_2 C169_2 N168_2 119.9(12) . . ?
C171_2 C170_2 C169_2 120.0 . . ?
C171_2 C170_2 H170_2 120.0 . . ?
C169_2 C170_2 H170_2 120.0 . . ?
C172_2 C171_2 C170_2 120.0 . . ?
C172_2 C171_2 H171_2 120.0 . . ?
C170_2 C171_2 H171_2 120.0 . . ?
C171_2 C172_2 C173_2 120.0 . . ?
C171_2 C172_2 C175_2 120.1(11) . . ?
C173_2 C172_2 C175_2 119.9(11) . . ?
C172_2 C173_2 C174_2 120.0 . . ?
C172_2 C173_2 H173_2 120.0 . . ?
C174_2 C173_2 H173_2 120.0 . . ?
C173_2 C174_2 C169_2 120.0 . . ?
C173_2 C174_2 H174_2 120.0 . . ?
C169_2 C174_2 H174_2 120.0 . . ?
N176_2 C175_2 N156_2 126(2) . . ?
N176_2 C175_2 C172_2 115.9(17) . . ?
N156_2 C175_2 C172_2 118.5(19) . . ?
C175_2 N176_2 C135_2 114(2) . . ?
C185_2 N181_2 C182_2 108.0 . . ?
C185_2 N181_2 Fe4_2 112.0(10) . . ?
C182_2 N181_2 Fe4_2 139.7(10) . . ?
C183_2 C182_2 N181_2 108.0 . . ?
C183_2 C182_2 H182_2 126.0 . . ?
N181_2 C182_2 H182_2 126.0 . . ?
C182_2 C183_2 N184_2 108.0 . . ?
C182_2 C183_2 H183_2 126.0 . . ?
N184_2 C183_2 H183_2 126.0 . . ?
C186_2 N184_2 C185_2 122.6(14) . . ?
C186_2 N184_2 C183_2 129.4(14) . . ?
C185_2 N184_2 C183_2 108.0 . . ?
C187_2 C185_2 N184_2 132.1(12) . . ?
C187_2 C185_2 N181_2 119.9(12) . . ?
N184_2 C185_2 N181_2 108.0 . . ?
N184_2 C186_2 H18A_2 109.5 . . ?
N184_2 C186_2 H18B_2 109.5 . . ?
H18A_2 C186_2 H18B_2 109.5 . . ?
N184_2 C186_2 H18C_2 109.5 . . ?
H18A_2 C186_2 H18C_2 109.5 . . ?
H18B_2 C186_2 H18C_2 109.5 . . ?
N188_2 C187_2 C185_2 118.6(16) . . ?
N188_2 C187_2 H187_2 120.7 . . ?
C185_2 C187_2 H187_2 120.7 . . ?
C187_2 N188_2 C189_2 118.8(15) . . ?
C187_2 N188_2 Fe4_2 113.0(12) . . ?
C189_2 N188_2 Fe4_2 127.8(14) . . ?
C190_2 C189_2 C194_2 120.0 . . ?
C190_2 C189_2 N188_2 119.2(12) . . ?
C194_2 C189_2 N188_2 120.8(12) . . ?
C191_2 C190_2 C189_2 120.0 . . ?
C191_2 C190_2 H190_2 120.0 . . ?
C189_2 C190_2 H190_2 120.0 . . ?
C190_2 C191_2 C192_2 120.0 . . ?
C190_2 C191_2 H191_2 120.0 . . ?
C192_2 C191_2 H191_2 120.0 . . ?
C193_2 C192_2 C191_2 120.0 . . ?
C193_2 C192_2 C195_2 120.5(11) . . ?
C191_2 C192_2 C195_2 119.5(11) . . ?
C192_2 C193_2 C194_2 120.0 . . ?
C192_2 C193_2 H193_2 120.0 . . ?
C194_2 C193_2 H193_2 120.0 . . ?
C193_2 C194_2 C189_2 120.0 . . ?
C193_2 C194_2 H194_2 120.0 . . ?
C189_2 C194_2 H194_2 120.0 . . ?
N196_2 C195_2 N236_2 129(2) . . ?
N196_2 C195_2 C192_2 115.2(16) . . ?
N236_2 C195_2 C192_2 115.3(18) . . ?
C195_2 N196_2 C215_2 111(2) . . ?
C205_2 N201_2 C202_2 108.0 . . ?
C205_2 N201_2 Fe1_2 108.4(10) . . ?
C202_2 N201_2 Fe1_2 142.0(10) . . ?
C203_2 C202_2 N201_2 108.0 . . ?
C203_2 C202_2 H202_2 126.0 . . ?
N201_2 C202_2 H202_2 126.0 . . ?
C202_2 C203_2 N204_2 108.0 . . ?
C202_2 C203_2 H203_2 126.0 . . ?
N204_2 C203_2 H203_2 126.0 . . ?
C206_2 N204_2 C205_2 122.1(14) . . ?
C206_2 N204_2 C203_2 129.9(14) . . ?
C205_2 N204_2 C203_2 108.0 . . ?
C207_2 C205_2 N204_2 131.7(13) . . ?
C207_2 C205_2 N201_2 120.3(13) . . ?
N204_2 C205_2 N201_2 108.0 . . ?
N204_2 C206_2 H20A_2 109.5 . . ?
N204_2 C206_2 H20B_2 109.5 . . ?
H20A_2 C206_2 H20B_2 109.5 . . ?
N204_2 C206_2 H20C_2 109.5 . . ?
H20A_2 C206_2 H20C_2 109.5 . . ?
H20B_2 C206_2 H20C_2 109.5 . . ?
N208_2 C207_2 C205_2 119.6(17) . . ?
N208_2 C207_2 H207_2 120.2 . . ?
C205_2 C207_2 H207_2 120.2 . . ?
C207_2 N208_2 C209_2 114.7(15) . . ?
C207_2 N208_2 Fe1_2 112.7(12) . . ?
C209_2 N208_2 Fe1_2 132.4(14) . . ?
C210_2 C209_2 C214_2 120.0 . . ?
C210_2 C209_2 N208_2 118.9(12) . . ?
C214_2 C209_2 N208_2 121.1(12) . . ?
C211_2 C210_2 C209_2 120.0 . . ?
C211_2 C210_2 H210_2 120.0 . . ?
C209_2 C210_2 H210_2 120.0 . . ?
C210_2 C211_2 C212_2 120.0 . . ?
C210_2 C211_2 H211_2 120.0 . . ?
C212_2 C211_2 H211_2 120.0 . . ?
C211_2 C212_2 C213_2 120.0 . . ?
C211_2 C212_2 C215_2 118.8(11) . . ?
C213_2 C212_2 C215_2 121.2(11) . . ?
C212_2 C213_2 C214_2 120.0 . . ?
C212_2 C213_2 H213_2 120.0 . . ?
C214_2 C213_2 H213_2 120.0 . . ?
C213_2 C214_2 C209_2 120.0 . . ?
C213_2 C214_2 H214_2 120.0 . . ?
C209_2 C214_2 H214_2 120.0 . . ?
N216_2 C215_2 N196_2 126(2) . . ?
N216_2 C215_2 C212_2 118.5(18) . . ?
N196_2 C215_2 C212_2 115.4(18) . . ?
C215_2 N216_2 C235_2 115(2) . . ?
C222_2 N221_2 C225_2 108.0 . . ?
C222_2 N221_2 Fe2_2 140.2(10) . . ?
C225_2 N221_2 Fe2_2 111.8(10) . . ?
C223_2 C222_2 N221_2 108.0 . . ?
C223_2 C222_2 H222_2 126.0 . . ?
N221_2 C222_2 H222_2 126.0 . . ?
C222_2 C223_2 N224_2 108.0 . . ?
C222_2 C223_2 H223_2 126.0 . . ?
N224_2 C223_2 H223_2 126.0 . . ?
C226_2 N224_2 C223_2 127.1(14) . . ?
C226_2 N224_2 C225_2 124.9(14) . . ?
C223_2 N224_2 C225_2 108.0 . . ?
C227_2 C225_2 N224_2 132.0(13) . . ?
C227_2 C225_2 N221_2 120.0(13) . . ?
N224_2 C225_2 N221_2 108.0 . . ?
N224_2 C226_2 H22A_2 109.5 . . ?
N224_2 C226_2 H22B_2 109.5 . . ?
H22A_2 C226_2 H22B_2 109.5 . . ?
N224_2 C226_2 H22C_2 109.5 . . ?
H22A_2 C226_2 H22C_2 109.5 . . ?
H22B_2 C226_2 H22C_2 109.5 . . ?
N228_2 C227_2 C225_2 118.6(16) . . ?
N228_2 C227_2 H227_2 120.7 . . ?
C225_2 C227_2 H227_2 120.7 . . ?
C227_2 N228_2 C229_2 116.8(15) . . ?
C227_2 N228_2 Fe2_2 115.0(12) . . ?
C229_2 N228_2 Fe2_2 127.7(14) . . ?
C230_2 C229_2 C234_2 120.0 . . ?
C230_2 C229_2 N228_2 119.2(12) . . ?
C234_2 C229_2 N228_2 120.2(12) . . ?
C229_2 C230_2 C231_2 120.0 . . ?
C229_2 C230_2 H230_2 120.0 . . ?
C231_2 C230_2 H230_2 120.0 . . ?
C232_2 C231_2 C230_2 120.0 . . ?
C232_2 C231_2 H231_2 120.0 . . ?
C230_2 C231_2 H231_2 120.0 . . ?
C231_2 C232_2 C233_2 120.0 . . ?
C231_2 C232_2 C235_2 118.7(12) . . ?
C233_2 C232_2 C235_2 121.0(12) . . ?
C232_2 C233_2 C234_2 120.0 . . ?
C232_2 C233_2 H233_2 120.0 . . ?
C234_2 C233_2 H233_2 120.0 . . ?
C233_2 C234_2 C229_2 120.0 . . ?
C233_2 C234_2 H234_2 120.0 . . ?
C229_2 C234_2 H234_2 120.0 . . ?
N236_2 C235_2 N216_2 126(2) . . ?
N236_2 C235_2 C232_2 118.4(18) . . ?
N216_2 C235_2 C232_2 115.1(19) . . ?
C235_2 N236_2 C195_2 112(2) . . ?
N201_3 Fe1_3 N1_3 88.8(8) . . ?
N201_3 Fe1_3 N141_3 91.3(9) . . ?
N1_3 Fe1_3 N141_3 98.4(9) . . ?
N201_3 Fe1_3 N148_3 99.3(9) . . ?
N1_3 Fe1_3 N148_3 169.6(9) . . ?
N141_3 Fe1_3 N148_3 75.1(8) . . ?
N201_3 Fe1_3 N8_3 164.0(8) . . ?
N1_3 Fe1_3 N8_3 75.2(7) . . ?
N141_3 Fe1_3 N8_3 90.4(9) . . ?
N148_3 Fe1_3 N8_3 96.5(8) . . ?
N201_3 Fe1_3 N208_3 75.2(7) . . ?
N1_3 Fe1_3 N208_3 92.3(10) . . ?
N141_3 Fe1_3 N208_3 162.6(9) . . ?
N148_3 Fe1_3 N208_3 96.0(9) . . ?
N8_3 Fe1_3 N208_3 105.6(9) . . ?
N221_3 Fe2_3 N61_3 90.4(9) . . ?
N221_3 Fe2_3 N21_3 90.7(8) . . ?
N61_3 Fe2_3 N21_3 98.7(8) . . ?
N221_3 Fe2_3 N28_3 97.2(10) . . ?
N61_3 Fe2_3 N28_3 170.3(9) . . ?
N21_3 Fe2_3 N28_3 75.3(8) . . ?
N221_3 Fe2_3 N228_3 75.9(7) . . ?
N61_3 Fe2_3 N228_3 91.9(10) . . ?
N21_3 Fe2_3 N228_3 163.0(9) . . ?
N28_3 Fe2_3 N228_3 95.8(9) . . ?
N221_3 Fe2_3 N68_3 164.7(9) . . ?
N61_3 Fe2_3 N68_3 74.4(8) . . ?
N21_3 Fe2_3 N68_3 90.4(9) . . ?
N28_3 Fe2_3 N68_3 97.8(8) . . ?
N228_3 Fe2_3 N68_3 105.3(9) . . ?
N81_3 Fe3_3 N121_3 87.2(8) . . ?
N81_3 Fe3_3 N41_3 87.8(8) . . ?
N121_3 Fe3_3 N41_3 87.4(8) . . ?
N81_3 Fe3_3 N88_3 76.1(7) . . ?
N121_3 Fe3_3 N88_3 95.0(10) . . ?
N41_3 Fe3_3 N88_3 163.6(8) . . ?
N81_3 Fe3_3 N128_3 163.0(7) . . ?
N121_3 Fe3_3 N128_3 76.0(7) . . ?
N41_3 Fe3_3 N128_3 93.9(9) . . ?
N88_3 Fe3_3 N128_3 102.5(9) . . ?
N81_3 Fe3_3 N48_3 94.7(9) . . ?
N121_3 Fe3_3 N48_3 162.5(8) . . ?
N41_3 Fe3_3 N48_3 75.3(7) . . ?
N88_3 Fe3_3 N48_3 102.3(9) . . ?
N128_3 Fe3_3 N48_3 102.1(9) . . ?
N181_3 Fe4_3 N161_3 87.6(9) . . ?
N181_3 Fe4_3 N108_3 98.0(10) . . ?
N161_3 Fe4_3 N108_3 172.1(9) . . ?
N181_3 Fe4_3 N101_3 91.5(9) . . ?
N161_3 Fe4_3 N101_3 99.4(8) . . ?
N108_3 Fe4_3 N101_3 75.0(7) . . ?
N181_3 Fe4_3 N168_3 163.2(9) . . ?
N161_3 Fe4_3 N168_3 75.6(7) . . ?
N108_3 Fe4_3 N168_3 98.5(9) . . ?
N101_3 Fe4_3 N168_3 89.9(9) . . ?
N181_3 Fe4_3 N188_3 74.9(8) . . ?
N161_3 Fe4_3 N188_3 91.7(10) . . ?
N108_3 Fe4_3 N188_3 95.1(10) . . ?
N101_3 Fe4_3 N188_3 162.1(9) . . ?
N168_3 Fe4_3 N188_3 106.5(9) . . ?
C2_3 N1_3 C5_3 108.0 . . ?
C2_3 N1_3 Fe1_3 139.5(10) . . ?
C5_3 N1_3 Fe1_3 112.4(10) . . ?
C3_3 C2_3 N1_3 108.0 . . ?
C3_3 C2_3 H2_3 126.0 . . ?
N1_3 C2_3 H2_3 126.0 . . ?
C2_3 C3_3 N4_3 108.0 . . ?
C2_3 C3_3 H3_3 126.0 . . ?
N4_3 C3_3 H3_3 126.0 . . ?
C6_3 N4_3 C3_3 129.7(13) . . ?
C6_3 N4_3 C5_3 122.3(13) . . ?
C3_3 N4_3 C5_3 108.0 . . ?
C7_3 C5_3 N4_3 131.5(12) . . ?
C7_3 C5_3 N1_3 120.5(12) . . ?
N4_3 C5_3 N1_3 108.0 . . ?
N4_3 C6_3 H6A_3 109.5 . . ?
N4_3 C6_3 H6B_3 109.5 . . ?
H6A_3 C6_3 H6B_3 109.5 . . ?
N4_3 C6_3 H6C_3 109.5 . . ?
H6A_3 C6_3 H6C_3 109.5 . . ?
H6B_3 C6_3 H6C_3 109.5 . . ?
N8_3 C7_3 C5_3 117.6(16) . . ?
N8_3 C7_3 H7_3 121.2 . . ?
C5_3 C7_3 H7_3 121.2 . . ?
C7_3 N8_3 C9_3 115.7(14) . . ?
C7_3 N8_3 Fe1_3 114.2(11) . . ?
C9_3 N8_3 Fe1_3 128.6(13) . . ?
C10_3 C9_3 C14_3 120.0 . . ?
C10_3 C9_3 N8_3 120.4(12) . . ?
C14_3 C9_3 N8_3 119.5(11) . . ?
C9_3 C10_3 C11_3 120.0 . . ?
C9_3 C10_3 H10_3 120.0 . . ?
C11_3 C10_3 H10_3 120.0 . . ?
C12_3 C11_3 C10_3 120.0 . . ?
C12_3 C11_3 H11_3 120.0 . . ?
C10_3 C11_3 H11_3 120.0 . . ?
C11_3 C12_3 C13_3 120.0 . . ?
C11_3 C12_3 C15_3 119.6(11) . . ?
C13_3 C12_3 C15_3 119.5(11) . . ?
C14_3 C13_3 C12_3 120.0 . . ?
C14_3 C13_3 H13_3 120.0 . . ?
C12_3 C13_3 H13_3 120.0 . . ?
C13_3 C14_3 C9_3 120.0 . . ?
C13_3 C14_3 H14_3 120.0 . . ?
C9_3 C14_3 H14_3 120.0 . . ?
N16_3 C15_3 N36_3 126(2) . . ?
N16_3 C15_3 C12_3 118.0(17) . . ?
N36_3 C15_3 C12_3 116.2(18) . . ?
C15_3 N16_3 C55_3 114(2) . . ?
C25_3 N21_3 C22_3 108.0 . . ?
C25_3 N21_3 Fe2_3 109.6(11) . . ?
C22_3 N21_3 Fe2_3 141.4(11) . . ?
C23_3 C22_3 N21_3 108.0 . . ?
C23_3 C22_3 H22_3 126.0 . . ?
N21_3 C22_3 H22_3 126.0 . . ?
C22_3 C23_3 N24_3 108.0 . . ?
C22_3 C23_3 H23_3 126.0 . . ?
N24_3 C23_3 H23_3 126.0 . . ?
C26_3 N24_3 C25_3 122.6(15) . . ?
C26_3 N24_3 C23_3 129.4(15) . . ?
C25_3 N24_3 C23_3 108.0 . . ?
C27_3 C25_3 N24_3 131.4(13) . . ?
C27_3 C25_3 N21_3 120.6(13) . . ?
N24_3 C25_3 N21_3 108.0 . . ?
N24_3 C26_3 H26A_3 109.5 . . ?
N24_3 C26_3 H26B_3 109.5 . . ?
H26A_3 C26_3 H26B_3 109.5 . . ?
N24_3 C26_3 H26C_3 109.5 . . ?
H26A_3 C26_3 H26C_3 109.5 . . ?
H26B_3 C26_3 H26C_3 109.5 . . ?
N28_3 C27_3 C25_3 118.9(17) . . ?
N28_3 C27_3 H27_3 120.5 . . ?
C25_3 C27_3 H27_3 120.5 . . ?
C27_3 N28_3 C29_3 116.2(16) . . ?
C27_3 N28_3 Fe2_3 114.6(12) . . ?
C29_3 N28_3 Fe2_3 129.1(14) . . ?
C30_3 C29_3 C34_3 120.0 . . ?
C30_3 C29_3 N28_3 120.8(12) . . ?
C34_3 C29_3 N28_3 119.0(12) . . ?
C29_3 C30_3 C31_3 120.0 . . ?
C29_3 C30_3 H30_3 120.0 . . ?
C31_3 C30_3 H30_3 120.0 . . ?
C32_3 C31_3 C30_3 120.0 . . ?
C32_3 C31_3 H31_3 120.0 . . ?
C30_3 C31_3 H31_3 120.0 . . ?
C31_3 C32_3 C33_3 120.0 . . ?
C31_3 C32_3 C35_3 120.8(11) . . ?
C33_3 C32_3 C35_3 119.1(11) . . ?
C34_3 C33_3 C32_3 120.0 . . ?
C34_3 C33_3 H33_3 120.0 . . ?
C32_3 C33_3 H33_3 120.0 . . ?
C33_3 C34_3 C29_3 120.0 . . ?
C33_3 C34_3 H34_3 120.0 . . ?
C29_3 C34_3 H34_3 120.0 . . ?
N56_3 C35_3 N36_3 124(2) . . ?
N56_3 C35_3 C32_3 119.1(18) . . ?
N36_3 C35_3 C32_3 117.2(17) . . ?
C35_3 N36_3 C15_3 115(2) . . ?
C42_3 N41_3 C45_3 108.0 . . ?
C42_3 N41_3 Fe3_3 140.1(10) . . ?
C45_3 N41_3 Fe3_3 110.8(10) . . ?
N41_3 C42_3 C43_3 108.0 . . ?
N41_3 C42_3 H42_3 126.0 . . ?
C43_3 C42_3 H42_3 126.0 . . ?
C42_3 C43_3 N44_3 108.0 . . ?
C42_3 C43_3 H43_3 126.0 . . ?
N44_3 C43_3 H43_3 126.0 . . ?
C46_3 N44_3 C45_3 122.5(14) . . ?
C46_3 N44_3 C43_3 129.5(14) . . ?
C45_3 N44_3 C43_3 108.0 . . ?
C47_3 C45_3 N44_3 131.2(12) . . ?
C47_3 C45_3 N41_3 120.8(12) . . ?
N44_3 C45_3 N41_3 108.0 . . ?
N44_3 C46_3 H46A_3 109.5 . . ?
N44_3 C46_3 H46B_3 109.5 . . ?
H46A_3 C46_3 H46B_3 109.5 . . ?
N44_3 C46_3 H46C_3 109.5 . . ?
H46A_3 C46_3 H46C_3 109.5 . . ?
H46B_3 C46_3 H46C_3 109.5 . . ?
N48_3 C47_3 C45_3 118.1(16) . . ?
N48_3 C47_3 H47_3 120.9 . . ?
C45_3 C47_3 H47_3 120.9 . . ?
C47_3 N48_3 C49_3 118.2(15) . . ?
C47_3 N48_3 Fe3_3 114.1(12) . . ?
C49_3 N48_3 Fe3_3 127.3(14) . . ?
C50_3 C49_3 C54_3 120.0 . . ?
C50_3 C49_3 N48_3 120.3(11) . . ?
C54_3 C49_3 N48_3 119.7(11) . . ?
C49_3 C50_3 C51_3 120.0 . . ?
C49_3 C50_3 H50_3 120.0 . . ?
C51_3 C50_3 H50_3 120.0 . . ?
C50_3 C51_3 C52_3 120.0 . . ?
C50_3 C51_3 H51_3 120.0 . . ?
C52_3 C51_3 H51_3 120.0 . . ?
C53_3 C52_3 C51_3 120.0 . . ?
C53_3 C52_3 C55_3 119.1(11) . . ?
C51_3 C52_3 C55_3 120.9(11) . . ?
C54_3 C53_3 C52_3 120.0 . . ?
C54_3 C53_3 H53_3 120.0 . . ?
C52_3 C53_3 H53_3 120.0 . . ?
C53_3 C54_3 C49_3 120.0 . . ?
C53_3 C54_3 H54_3 120.0 . . ?
C49_3 C54_3 H54_3 120.0 . . ?
N16_3 C55_3 N56_3 124(2) . . ?
N16_3 C55_3 C52_3 118.8(19) . . ?
N56_3 C55_3 C52_3 116.9(17) . . ?
C35_3 N56_3 C55_3 116(2) . . ?
C65_3 N61_3 C62_3 108.0 . . ?
C65_3 N61_3 Fe2_3 113.5(10) . . ?
C62_3 N61_3 Fe2_3 138.5(10) . . ?
C63_3 C62_3 N61_3 108.0 . . ?
C63_3 C62_3 H62_3 126.0 . . ?
N61_3 C62_3 H62_3 126.0 . . ?
C62_3 C63_3 N64_3 108.0 . . ?
C62_3 C63_3 H63_3 126.0 . . ?
N64_3 C63_3 H63_3 126.0 . . ?
C66_3 N64_3 C63_3 128.1(14) . . ?
C66_3 N64_3 C65_3 123.9(14) . . ?
C63_3 N64_3 C65_3 108.0 . . ?
C67_3 C65_3 N61_3 120.4(12) . . ?
C67_3 C65_3 N64_3 131.6(12) . . ?
N61_3 C65_3 N64_3 108.0 . . ?
N64_3 C66_3 H66A_3 109.5 . . ?
N64_3 C66_3 H66B_3 109.5 . . ?
H66A_3 C66_3 H66B_3 109.5 . . ?
N64_3 C66_3 H66C_3 109.5 . . ?
H66A_3 C66_3 H66C_3 109.5 . . ?
H66B_3 C66_3 H66C_3 109.5 . . ?
N68_3 C67_3 C65_3 117.3(16) . . ?
N68_3 C67_3 H67_3 121.4 . . ?
C65_3 C67_3 H67_3 121.4 . . ?
C67_3 N68_3 C69_3 116.7(15) . . ?
C67_3 N68_3 Fe2_3 114.4(12) . . ?
C69_3 N68_3 Fe2_3 128.1(14) . . ?
C70_3 C69_3 C74_3 120.0 . . ?
C70_3 C69_3 N68_3 119.0(12) . . ?
C74_3 C69_3 N68_3 120.6(12) . . ?
C69_3 C70_3 C71_3 120.0 . . ?
C69_3 C70_3 H70_3 120.0 . . ?
C71_3 C70_3 H70_3 120.0 . . ?
C72_3 C71_3 C70_3 120.0 . . ?
C72_3 C71_3 H71_3 120.0 . . ?
C70_3 C71_3 H71_3 120.0 . . ?
C71_3 C72_3 C73_3 120.0 . . ?
C71_3 C72_3 C75_3 119.8(11) . . ?
C73_3 C72_3 C75_3 119.7(12) . . ?
C74_3 C73_3 C72_3 120.0 . . ?
C74_3 C73_3 H73_3 120.0 . . ?
C72_3 C73_3 H73_3 120.0 . . ?
C73_3 C74_3 C69_3 120.0 . . ?
C73_3 C74_3 H74_3 120.0 . . ?
C69_3 C74_3 H74_3 120.0 . . ?
N76_3 C75_3 N116_3 128(2) . . ?
N76_3 C75_3 C72_3 117.5(17) . . ?
N116_3 C75_3 C72_3 114.5(18) . . ?
C75_3 N76_3 C95_3 111(2) . . ?
C82_3 N81_3 C85_3 108.0 . . ?
C82_3 N81_3 Fe3_3 140.1(10) . . ?
C85_3 N81_3 Fe3_3 111.2(10) . . ?
C83_3 C82_3 N81_3 108.0 . . ?
C83_3 C82_3 H82_3 126.0 . . ?
N81_3 C82_3 H82_3 126.0 . . ?
C82_3 C83_3 N84_3 108.0 . . ?
C82_3 C83_3 H83_3 126.0 . . ?
N84_3 C83_3 H83_3 126.0 . . ?
C86_3 N84_3 C85_3 122.4(14) . . ?
C86_3 N84_3 C83_3 129.6(14) . . ?
C85_3 N84_3 C83_3 108.0 . . ?
C87_3 C85_3 N84_3 131.5(13) . . ?
C87_3 C85_3 N81_3 120.5(12) . . ?
N84_3 C85_3 N81_3 108.0 . . ?
N84_3 C86_3 H86A_3 109.5 . . ?
N84_3 C86_3 H86B_3 109.5 . . ?
H86A_3 C86_3 H86B_3 109.5 . . ?
N84_3 C86_3 H86C_3 109.5 . . ?
H86A_3 C86_3 H86C_3 109.5 . . ?
H86B_3 C86_3 H86C_3 109.5 . . ?
N88_3 C87_3 C85_3 117.8(16) . . ?
N88_3 C87_3 H87_3 121.1 . . ?
C85_3 C87_3 H87_3 121.1 . . ?
C87_3 N88_3 C89_3 118.8(15) . . ?
C87_3 N88_3 Fe3_3 113.7(12) . . ?
C89_3 N88_3 Fe3_3 127.4(14) . . ?
C90_3 C89_3 C94_3 120.0 . . ?
C90_3 C89_3 N88_3 119.8(12) . . ?
C94_3 C89_3 N88_3 120.2(12) . . ?
C89_3 C90_3 C91_3 120.0 . . ?
C89_3 C90_3 H90_3 120.0 . . ?
C91_3 C90_3 H90_3 120.0 . . ?
C92_3 C91_3 C90_3 120.0 . . ?
C92_3 C91_3 H91_3 120.0 . . ?
C90_3 C91_3 H91_3 120.0 . . ?
C91_3 C92_3 C93_3 120.0 . . ?
C91_3 C92_3 C95_3 120.3(11) . . ?
C93_3 C92_3 C95_3 119.7(11) . . ?
C92_3 C93_3 C94_3 120.0 . . ?
C92_3 C93_3 H93_3 120.0 . . ?
C94_3 C93_3 H93_3 120.0 . . ?
C93_3 C94_3 C89_3 120.0 . . ?
C93_3 C94_3 H94_3 120.0 . . ?
C89_3 C94_3 H94_3 120.0 . . ?
N96_3 C95_3 N76_3 127(2) . . ?
N96_3 C95_3 C92_3 116.6(17) . . ?
N76_3 C95_3 C92_3 116.1(19) . . ?
C115_3 N96_3 C95_3 115(2) . . ?
C102_3 N101_3 C105_3 108.0 . . ?
C102_3 N101_3 Fe4_3 141.4(11) . . ?
C105_3 N101_3 Fe4_3 108.2(10) . . ?
C103_3 C102_3 N101_3 108.0 . . ?
C103_3 C102_3 H102_3 126.0 . . ?
N101_3 C102_3 H102_3 126.0 . . ?
C102_3 C103_3 N104_3 108.0 . . ?
C102_3 C103_3 H103_3 126.0 . . ?
N104_3 C103_3 H103_3 126.0 . . ?
C106_3 N104_3 C105_3 122.9(14) . . ?
C106_3 N104_3 C103_3 129.1(14) . . ?
C105_3 N104_3 C103_3 108.0 . . ?
C107_3 C105_3 N104_3 132.0(13) . . ?
C107_3 C105_3 N101_3 120.0(13) . . ?
N104_3 C105_3 N101_3 108.0 . . ?
N104_3 C106_3 H10A_3 109.5 . . ?
N104_3 C106_3 H10B_3 109.5 . . ?
H10A_3 C106_3 H10B_3 109.5 . . ?
N104_3 C106_3 H10C_3 109.5 . . ?
H10A_3 C106_3 H10C_3 109.5 . . ?
H10B_3 C106_3 H10C_3 109.5 . . ?
N108_3 C107_3 C105_3 120.1(17) . . ?
N108_3 C107_3 H107_3 119.9 . . ?
C105_3 C107_3 H107_3 119.9 . . ?
C107_3 N108_3 C109_3 114.0(15) . . ?
C107_3 N108_3 Fe4_3 115.1(12) . . ?
C109_3 N108_3 Fe4_3 130.8(14) . . ?
C110_3 C109_3 C114_3 120.0 . . ?
C110_3 C109_3 N108_3 120.3(12) . . ?
C114_3 C109_3 N108_3 119.6(12) . . ?
C109_3 C110_3 C111_3 120.0 . . ?
C109_3 C110_3 H110_3 120.0 . . ?
C111_3 C110_3 H110_3 120.0 . . ?
C112_3 C111_3 C110_3 120.0 . . ?
C112_3 C111_3 H111_3 120.0 . . ?
C110_3 C111_3 H111_3 120.0 . . ?
C111_3 C112_3 C113_3 120.0 . . ?
C111_3 C112_3 C115_3 120.6(11) . . ?
C113_3 C112_3 C115_3 119.3(11) . . ?
C112_3 C113_3 C114_3 120.0 . . ?
C112_3 C113_3 H113_3 120.0 . . ?
C114_3 C113_3 H113_3 120.0 . . ?
C113_3 C114_3 C109_3 120.0 . . ?
C113_3 C114_3 H114_3 120.0 . . ?
C109_3 C114_3 H114_3 120.0 . . ?
N96_3 C115_3 N116_3 126(2) . . ?
N96_3 C115_3 C112_3 117.4(19) . . ?
N116_3 C115_3 C112_3 116.3(17) . . ?
C115_3 N116_3 C75_3 113(2) . . ?
C122_3 N121_3 C125_3 108.0 . . ?
C122_3 N121_3 Fe3_3 140.2(10) . . ?
C125_3 N121_3 Fe3_3 111.0(10) . . ?
N121_3 C122_3 C123_3 108.0 . . ?
N121_3 C122_3 H122_3 126.0 . . ?
C123_3 C122_3 H122_3 126.0 . . ?
N124_3 C123_3 C122_3 108.0 . . ?
N124_3 C123_3 H123_3 126.0 . . ?
C122_3 C123_3 H123_3 126.0 . . ?
C126_3 N124_3 C123_3 129.7(14) . . ?
C126_3 N124_3 C125_3 122.3(14) . . ?
C123_3 N124_3 C125_3 108.0 . . ?
C127_3 C125_3 N121_3 120.1(12) . . ?
C127_3 C125_3 N124_3 131.9(12) . . ?
N121_3 C125_3 N124_3 108.0 . . ?
N124_3 C126_3 H12A_3 109.5 . . ?
N124_3 C126_3 H12B_3 109.5 . . ?
H12A_3 C126_3 H12B_3 109.5 . . ?
N124_3 C126_3 H12C_3 109.5 . . ?
H12A_3 C126_3 H12C_3 109.5 . . ?
H12B_3 C126_3 H12C_3 109.5 . . ?
N128_3 C127_3 C125_3 118.7(16) . . ?
N128_3 C127_3 H127_3 120.6 . . ?
C125_3 C127_3 H127_3 120.6 . . ?
C127_3 N128_3 C129_3 118.3(15) . . ?
C127_3 N128_3 Fe3_3 113.2(12) . . ?
C129_3 N128_3 Fe3_3 128.3(14) . . ?
C130_3 C129_3 C134_3 120.0 . . ?
C130_3 C129_3 N128_3 118.7(12) . . ?
C134_3 C129_3 N128_3 121.3(12) . . ?
C129_3 C130_3 C131_3 120.0 . . ?
C129_3 C130_3 H130_3 120.0 . . ?
C131_3 C130_3 H130_3 120.0 . . ?
C132_3 C131_3 C130_3 120.0 . . ?
C132_3 C131_3 H131_3 120.0 . . ?
C130_3 C131_3 H131_3 120.0 . . ?
C131_3 C132_3 C133_3 120.0 . . ?
C131_3 C132_3 C135_3 119.9(11) . . ?
C133_3 C132_3 C135_3 120.1(11) . . ?
C132_3 C133_3 C134_3 120.0 . . ?
C132_3 C133_3 H133_3 120.0 . . ?
C134_3 C133_3 H133_3 120.0 . . ?
C133_3 C134_3 C129_3 120.0 . . ?
C133_3 C134_3 H134_3 120.0 . . ?
C129_3 C134_3 H134_3 120.0 . . ?
N136_3 C135_3 N176_3 126(2) . . ?
N136_3 C135_3 C132_3 117.4(17) . . ?
N176_3 C135_3 C132_3 116.7(18) . . ?
C135_3 N136_3 C155_3 115(2) . . ?
C145_3 N141_3 C142_3 108.0 . . ?
C145_3 N141_3 Fe1_3 108.6(11) . . ?
C142_3 N141_3 Fe1_3 141.6(11) . . ?
N141_3 C142_3 C143_3 108.0 . . ?
N141_3 C142_3 H142_3 126.0 . . ?
C143_3 C142_3 H142_3 126.0 . . ?
N144_3 C143_3 C142_3 108.0 . . ?
N144_3 C143_3 H143_3 126.0 . . ?
C142_3 C143_3 H143_3 126.0 . . ?
C146_3 N144_3 C143_3 130.0(15) . . ?
C146_3 N144_3 C145_3 122.0(15) . . ?
C143_3 N144_3 C145_3 108.0 . . ?
C147_3 C145_3 N141_3 121.0(13) . . ?
C147_3 C145_3 N144_3 131.0(13) . . ?
N141_3 C145_3 N144_3 108.0 . . ?
N144_3 C146_3 H14A_3 109.5 . . ?
N144_3 C146_3 H14B_3 109.5 . . ?
H14A_3 C146_3 H14B_3 109.5 . . ?
N144_3 C146_3 H14C_3 109.5 . . ?
H14A_3 C146_3 H14C_3 109.5 . . ?
H14B_3 C146_3 H14C_3 109.5 . . ?
N148_3 C147_3 C145_3 118.9(17) . . ?
N148_3 C147_3 H147_3 120.5 . . ?
C145_3 C147_3 H147_3 120.5 . . ?
C147_3 N148_3 C149_3 115.6(15) . . ?
C147_3 N148_3 Fe1_3 115.0(12) . . ?
C149_3 N148_3 Fe1_3 129.4(14) . . ?
C150_3 C149_3 C154_3 120.0 . . ?
C150_3 C149_3 N148_3 118.0(12) . . ?
C154_3 C149_3 N148_3 121.9(12) . . ?
C151_3 C150_3 C149_3 120.0 . . ?
C151_3 C150_3 H150_3 120.0 . . ?
C149_3 C150_3 H150_3 120.0 . . ?
C152_3 C151_3 C150_3 120.0 . . ?
C152_3 C151_3 H151_3 120.0 . . ?
C150_3 C151_3 H151_3 120.0 . . ?
C151_3 C152_3 C153_3 120.0 . . ?
C151_3 C152_3 C155_3 119.3(11) . . ?
C153_3 C152_3 C155_3 120.6(11) . . ?
C154_3 C153_3 C152_3 120.0 . . ?
C154_3 C153_3 H153_3 120.0 . . ?
C152_3 C153_3 H153_3 120.0 . . ?
C153_3 C154_3 C149_3 120.0 . . ?
C153_3 C154_3 H154_3 120.0 . . ?
C149_3 C154_3 H154_3 120.0 . . ?
N156_3 C155_3 N136_3 126(2) . . ?
N156_3 C155_3 C152_3 117.2(17) . . ?
N136_3 C155_3 C152_3 117.1(19) . . ?
C155_3 N156_3 C175_3 113(2) . . ?
C162_3 N161_3 C165_3 108.0 . . ?
C162_3 N161_3 Fe4_3 140.6(11) . . ?
C165_3 N161_3 Fe4_3 111.3(11) . . ?
C163_3 C162_3 N161_3 108.0 . . ?
C163_3 C162_3 H162_3 126.0 . . ?
N161_3 C162_3 H162_3 126.0 . . ?
C162_3 C163_3 N164_3 108.0 . . ?
C162_3 C163_3 H163_3 126.0 . . ?
N164_3 C163_3 H163_3 126.0 . . ?
C166_3 N164_3 C165_3 121.8(14) . . ?
C166_3 N164_3 C163_3 130.2(14) . . ?
C165_3 N164_3 C163_3 108.0 . . ?
C167_3 C165_3 N164_3 131.1(13) . . ?
C167_3 C165_3 N161_3 120.9(13) . . ?
N164_3 C165_3 N161_3 108.0 . . ?
N164_3 C166_3 H16A_3 109.5 . . ?
N164_3 C166_3 H16B_3 109.5 . . ?
H16A_3 C166_3 H16B_3 109.5 . . ?
N164_3 C166_3 H16C_3 109.5 . . ?
H16A_3 C166_3 H16C_3 109.5 . . ?
H16B_3 C166_3 H16C_3 109.5 . . ?
N168_3 C167_3 C165_3 117.9(16) . . ?
N168_3 C167_3 H167_3 121.0 . . ?
C165_3 C167_3 H167_3 121.0 . . ?
C167_3 N168_3 C169_3 115.9(15) . . ?
C167_3 N168_3 Fe4_3 114.1(12) . . ?
C169_3 N168_3 Fe4_3 128.9(14) . . ?
C170_3 C169_3 C174_3 120.0 . . ?
C170_3 C169_3 N168_3 120.2(12) . . ?
C174_3 C169_3 N168_3 119.4(12) . . ?
C169_3 C170_3 C171_3 120.0 . . ?
C169_3 C170_3 H170_3 120.0 . . ?
C171_3 C170_3 H170_3 120.0 . . ?
C172_3 C171_3 C170_3 120.0 . . ?
C172_3 C171_3 H171_3 120.0 . . ?
C170_3 C171_3 H171_3 120.0 . . ?
C171_3 C172_3 C173_3 120.0 . . ?
C171_3 C172_3 C175_3 119.7(11) . . ?
C173_3 C172_3 C175_3 119.8(11) . . ?
C174_3 C173_3 C172_3 120.0 . . ?
C174_3 C173_3 H173_3 120.0 . . ?
C172_3 C173_3 H173_3 120.0 . . ?
C173_3 C174_3 C169_3 120.0 . . ?
C173_3 C174_3 H174_3 120.0 . . ?
C169_3 C174_3 H174_3 120.0 . . ?
N176_3 C175_3 N156_3 129(2) . . ?
N176_3 C175_3 C172_3 116.8(17) . . ?
N156_3 C175_3 C172_3 114.2(18) . . ?
C175_3 N176_3 C135_3 111(2) . . ?
C185_3 N181_3 C182_3 108.0 . . ?
C185_3 N181_3 Fe4_3 112.2(11) . . ?
C182_3 N181_3 Fe4_3 139.6(11) . . ?
C183_3 C182_3 N181_3 108.0 . . ?
C183_3 C182_3 H182_3 126.0 . . ?
N181_3 C182_3 H182_3 126.0 . . ?
C182_3 C183_3 N184_3 108.0 . . ?
C182_3 C183_3 H183_3 126.0 . . ?
N184_3 C183_3 H183_3 126.0 . . ?
C186_3 N184_3 C185_3 120.8(15) . . ?
C186_3 N184_3 C183_3 131.2(15) . . ?
C185_3 N184_3 C183_3 108.0 . . ?
C187_3 C185_3 N181_3 121.8(13) . . ?
C187_3 C185_3 N184_3 130.2(13) . . ?
N181_3 C185_3 N184_3 108.0 . . ?
N184_3 C186_3 H18A_3 109.5 . . ?
N184_3 C186_3 H18B_3 109.5 . . ?
H18A_3 C186_3 H18B_3 109.5 . . ?
N184_3 C186_3 H18C_3 109.5 . . ?
H18A_3 C186_3 H18C_3 109.5 . . ?
H18B_3 C186_3 H18C_3 109.5 . . ?
N188_3 C187_3 C185_3 116.5(16) . . ?
N188_3 C187_3 H187_3 121.7 . . ?
C185_3 C187_3 H187_3 121.7 . . ?
C187_3 N188_3 C189_3 117.9(15) . . ?
C187_3 N188_3 Fe4_3 114.4(12) . . ?
C189_3 N188_3 Fe4_3 127.3(14) . . ?
C190_3 C189_3 C194_3 120.0 . . ?
C190_3 C189_3 N188_3 119.2(12) . . ?
C194_3 C189_3 N188_3 120.6(12) . . ?
C189_3 C190_3 C191_3 120.0 . . ?
C189_3 C190_3 H190_3 120.0 . . ?
C191_3 C190_3 H190_3 120.0 . . ?
C190_3 C191_3 C192_3 120.0 . . ?
C190_3 C191_3 H191_3 120.0 . . ?
C192_3 C191_3 H191_3 120.0 . . ?
C191_3 C192_3 C193_3 120.0 . . ?
C191_3 C192_3 C195_3 119.2(11) . . ?
C193_3 C192_3 C195_3 120.8(11) . . ?
C194_3 C193_3 C192_3 120.0 . . ?
C194_3 C193_3 H193_3 120.0 . . ?
C192_3 C193_3 H193_3 120.0 . . ?
C193_3 C194_3 C189_3 120.0 . . ?
C193_3 C194_3 H194_3 120.0 . . ?
C189_3 C194_3 H194_3 120.0 . . ?
N196_3 C195_3 N236_3 127(2) . . ?
N196_3 C195_3 C192_3 116.6(17) . . ?
N236_3 C195_3 C192_3 116.3(18) . . ?
C195_3 N196_3 C215_3 113(2) . . ?
C202_3 N201_3 C205_3 108.0 . . ?
C202_3 N201_3 Fe1_3 139.3(11) . . ?
C205_3 N201_3 Fe1_3 111.9(11) . . ?
C203_3 C202_3 N201_3 108.0 . . ?
C203_3 C202_3 H202_3 126.0 . . ?
N201_3 C202_3 H202_3 126.0 . . ?
C202_3 C203_3 N204_3 108.0 . . ?
C202_3 C203_3 H203_3 126.0 . . ?
N204_3 C203_3 H203_3 126.0 . . ?
C206_3 N204_3 C205_3 120.9(14) . . ?
C206_3 N204_3 C203_3 131.1(14) . . ?
C205_3 N204_3 C203_3 108.0 . . ?
C207_3 C205_3 N201_3 121.2(13) . . ?
C207_3 C205_3 N204_3 130.8(13) . . ?
N201_3 C205_3 N204_3 108.0 . . ?
N204_3 C206_3 H20A_3 109.5 . . ?
N204_3 C206_3 H20B_3 109.5 . . ?
H20A_3 C206_3 H20B_3 109.5 . . ?
N204_3 C206_3 H20C_3 109.5 . . ?
H20A_3 C206_3 H20C_3 109.5 . . ?
H20B_3 C206_3 H20C_3 109.5 . . ?
N208_3 C207_3 C205_3 117.6(16) . . ?
N208_3 C207_3 H207_3 121.2 . . ?
C205_3 C207_3 H207_3 121.2 . . ?
C207_3 N208_3 C209_3 118.6(15) . . ?
C207_3 N208_3 Fe1_3 113.4(12) . . ?
C209_3 N208_3 Fe1_3 127.9(14) . . ?
C210_3 C209_3 C214_3 120.0 . . ?
C210_3 C209_3 N208_3 120.2(12) . . ?
C214_3 C209_3 N208_3 119.6(12) . . ?
C211_3 C210_3 C209_3 120.0 . . ?
C211_3 C210_3 H210_3 120.0 . . ?
C209_3 C210_3 H210_3 120.0 . . ?
C212_3 C211_3 C210_3 120.0 . . ?
C212_3 C211_3 H211_3 120.0 . . ?
C210_3 C211_3 H211_3 120.0 . . ?
C211_3 C212_3 C213_3 120.0 . . ?
C211_3 C212_3 C215_3 121.0(11) . . ?
C213_3 C212_3 C215_3 118.9(11) . . ?
C214_3 C213_3 C212_3 120.0 . . ?
C214_3 C213_3 H213_3 120.0 . . ?
C212_3 C213_3 H213_3 120.0 . . ?
C213_3 C214_3 C209_3 120.0 . . ?
C213_3 C214_3 H214_3 120.0 . . ?
C209_3 C214_3 H214_3 120.0 . . ?
N216_3 C215_3 N196_3 127(2) . . ?
N216_3 C215_3 C212_3 116.8(17) . . ?
N196_3 C215_3 C212_3 115.9(18) . . ?
C215_3 N216_3 C235_3 114(2) . . ?
C225_3 N221_3 C222_3 108.0 . . ?
C225_3 N221_3 Fe2_3 111.1(10) . . ?
C222_3 N221_3 Fe2_3 139.7(10) . . ?
N221_3 C222_3 C223_3 108.0 . . ?
N221_3 C222_3 H222_3 126.0 . . ?
C223_3 C222_3 H222_3 126.0 . . ?
N224_3 C223_3 C222_3 108.0 . . ?
N224_3 C223_3 H223_3 126.0 . . ?
C222_3 C223_3 H223_3 126.0 . . ?
C226_3 N224_3 C223_3 130.6(14) . . ?
C226_3 N224_3 C225_3 121.4(14) . . ?
C223_3 N224_3 C225_3 108.0 . . ?
C227_3 C225_3 N221_3 121.4(12) . . ?
C227_3 C225_3 N224_3 130.6(12) . . ?
N221_3 C225_3 N224_3 108.0 . . ?
N224_3 C226_3 H22A_3 109.5 . . ?
N224_3 C226_3 H22B_3 109.5 . . ?
H22A_3 C226_3 H22B_3 109.5 . . ?
N224_3 C226_3 H22C_3 109.5 . . ?
H22A_3 C226_3 H22C_3 109.5 . . ?
H22B_3 C226_3 H22C_3 109.5 . . ?
N228_3 C227_3 C225_3 117.8(16) . . ?
N228_3 C227_3 H227_3 121.1 . . ?
C225_3 C227_3 H227_3 121.1 . . ?
C227_3 N228_3 C229_3 118.2(15) . . ?
C227_3 N228_3 Fe2_3 112.7(12) . . ?
C229_3 N228_3 Fe2_3 128.9(13) . . ?
C230_3 C229_3 C234_3 120.0 . . ?
C230_3 C229_3 N228_3 121.0(12) . . ?
C234_3 C229_3 N228_3 118.6(12) . . ?
C231_3 C230_3 C229_3 120.0 . . ?
C231_3 C230_3 H230_3 120.0 . . ?
C229_3 C230_3 H230_3 120.0 . . ?
C230_3 C231_3 C232_3 120.0 . . ?
C230_3 C231_3 H231_3 120.0 . . ?
C232_3 C231_3 H231_3 120.0 . . ?
C231_3 C232_3 C233_3 120.0 . . ?
C231_3 C232_3 C235_3 120.6(11) . . ?
C233_3 C232_3 C235_3 119.2(11) . . ?
C234_3 C233_3 C232_3 120.0 . . ?
C234_3 C233_3 H233_3 120.0 . . ?
C232_3 C233_3 H233_3 120.0 . . ?
C233_3 C234_3 C229_3 120.0 . . ?
C233_3 C234_3 H234_3 120.0 . . ?
C229_3 C234_3 H234_3 120.0 . . ?
N236_3 C235_3 N216_3 127(2) . . ?
N236_3 C235_3 C232_3 115.9(17) . . ?
N216_3 C235_3 C232_3 116.8(19) . . ?
C235_3 N236_3 C195_3 112(2) . . ?
N141_4 Fe1_4 N1_4 87.8(9) . . ?
N141_4 Fe1_4 N201_4 88.5(8) . . ?
N1_4 Fe1_4 N201_4 86.7(8) . . ?
N141_4 Fe1_4 N148_4 76.7(8) . . ?
N1_4 Fe1_4 N148_4 164.3(9) . . ?
N201_4 Fe1_4 N148_4 95.1(9) . . ?
N141_4 Fe1_4 N8_4 94.2(10) . . ?
N1_4 Fe1_4 N8_4 76.2(7) . . ?
N201_4 Fe1_4 N8_4 162.5(8) . . ?
N148_4 Fe1_4 N8_4 102.3(9) . . ?
N141_4 Fe1_4 N208_4 163.8(8) . . ?
N1_4 Fe1_4 N208_4 93.6(10) . . ?
N201_4 Fe1_4 N208_4 75.5(7) . . ?
N148_4 Fe1_4 N208_4 102.0(9) . . ?
N8_4 Fe1_4 N208_4 101.8(9) . . ?
N61_4 Fe2_4 N21_4 90.0(9) . . ?
N61_4 Fe2_4 N221_4 89.4(9) . . ?
N21_4 Fe2_4 N221_4 98.9(8) . . ?
N61_4 Fe2_4 N228_4 94.4(10) . . ?
N21_4 Fe2_4 N228_4 172.8(9) . . ?
N221_4 Fe2_4 N228_4 75.3(8) . . ?
N61_4 Fe2_4 N68_4 75.2(7) . . ?
N21_4 Fe2_4 N68_4 93.4(9) . . ?
N221_4 Fe2_4 N68_4 160.3(10) . . ?
N228_4 Fe2_4 N68_4 93.3(9) . . ?
N61_4 Fe2_4 N28_4 164.7(8) . . ?
N21_4 Fe2_4 N28_4 74.9(7) . . ?
N221_4 Fe2_4 N28_4 91.0(9) . . ?
N228_4 Fe2_4 N28_4 100.6(9) . . ?
N68_4 Fe2_4 N28_4 107.1(9) . . ?
N81_4 Fe3_4 N121_4 87.4(8) . . ?
N81_4 Fe3_4 N41_4 90.4(9) . . ?
N121_4 Fe3_4 N41_4 98.2(9) . . ?
N81_4 Fe3_4 N128_4 163.0(8) . . ?
N121_4 Fe3_4 N128_4 75.7(7) . . ?
N41_4 Fe3_4 N128_4 90.7(10) . . ?
N81_4 Fe3_4 N48_4 99.9(9) . . ?
N121_4 Fe3_4 N48_4 169.9(9) . . ?
N41_4 Fe3_4 N48_4 75.1(8) . . ?
N128_4 Fe3_4 N48_4 96.7(8) . . ?
N81_4 Fe3_4 N88_4 75.5(7) . . ?
N121_4 Fe3_4 N88_4 94.3(10) . . ?
N41_4 Fe3_4 N88_4 160.7(9) . . ?
N128_4 Fe3_4 N88_4 106.7(9) . . ?
N48_4 Fe3_4 N88_4 94.2(9) . . ?
N101_4 Fe4_4 N181_4 89.2(9) . . ?
N101_4 Fe4_4 N161_4 91.9(8) . . ?
N181_4 Fe4_4 N161_4 98.8(9) . . ?
N101_4 Fe4_4 N168_4 97.8(10) . . ?
N181_4 Fe4_4 N168_4 170.8(9) . . ?
N161_4 Fe4_4 N168_4 75.1(8) . . ?
N101_4 Fe4_4 N188_4 164.6(9) . . ?
N181_4 Fe4_4 N188_4 75.4(8) . . ?
N161_4 Fe4_4 N188_4 89.4(9) . . ?
N168_4 Fe4_4 N188_4 97.4(9) . . ?
N101_4 Fe4_4 N108_4 75.4(7) . . ?
N181_4 Fe4_4 N108_4 93.5(10) . . ?
N161_4 Fe4_4 N108_4 162.3(10) . . ?
N168_4 Fe4_4 N108_4 94.1(10) . . ?
N188_4 Fe4_4 N108_4 106.1(9) . . ?
C2_4 N1_4 C5_4 108.0 . . ?
C2_4 N1_4 Fe1_4 139.6(10) . . ?
C5_4 N1_4 Fe1_4 111.4(10) . . ?
N1_4 C2_4 C3_4 108.0 . . ?
N1_4 C2_4 H2_4 126.0 . . ?
C3_4 C2_4 H2_4 126.0 . . ?
N4_4 C3_4 C2_4 108.0 . . ?
N4_4 C3_4 H3_4 126.0 . . ?
C2_4 C3_4 H3_4 126.0 . . ?
C6_4 N4_4 C3_4 129.6(14) . . ?
C6_4 N4_4 C5_4 122.4(14) . . ?
C3_4 N4_4 C5_4 108.0 . . ?
C7_4 C5_4 N4_4 132.1(12) . . ?
C7_4 C5_4 N1_4 119.9(12) . . ?
N4_4 C5_4 N1_4 108.0 . . ?
N4_4 C6_4 H6A_4 109.5 . . ?
N4_4 C6_4 H6B_4 109.5 . . ?
H6A_4 C6_4 H6B_4 109.5 . . ?
N4_4 C6_4 H6C_4 109.5 . . ?
H6A_4 C6_4 H6C_4 109.5 . . ?
H6B_4 C6_4 H6C_4 109.5 . . ?
N8_4 C7_4 C5_4 119.0(16) . . ?
N8_4 C7_4 H7_4 120.5 . . ?
C5_4 C7_4 H7_4 120.5 . . ?
C7_4 N8_4 C9_4 119.1(15) . . ?
C7_4 N8_4 Fe1_4 112.7(12) . . ?
C9_4 N8_4 Fe1_4 128.0(13) . . ?
C10_4 C9_4 C14_4 120.0 . . ?
C10_4 C9_4 N8_4 120.1(12) . . ?
C14_4 C9_4 N8_4 119.8(12) . . ?
C9_4 C10_4 C11_4 120.0 . . ?
C9_4 C10_4 H10_4 120.0 . . ?
C11_4 C10_4 H10_4 120.0 . . ?
C10_4 C11_4 C12_4 120.0 . . ?
C10_4 C11_4 H11_4 120.0 . . ?
C12_4 C11_4 H11_4 120.0 . . ?
C13_4 C12_4 C11_4 120.0 . . ?
C13_4 C12_4 C15_4 118.7(11) . . ?
C11_4 C12_4 C15_4 121.3(11) . . ?
C14_4 C13_4 C12_4 120.0 . . ?
C14_4 C13_4 H13_4 120.0 . . ?
C12_4 C13_4 H13_4 120.0 . . ?
C13_4 C14_4 C9_4 120.0 . . ?
C13_4 C14_4 H14_4 120.0 . . ?
C9_4 C14_4 H14_4 120.0 . . ?
N16_4 C15_4 N36_4 125(2) . . ?
N16_4 C15_4 C12_4 117.2(17) . . ?
N36_4 C15_4 C12_4 118.2(19) . . ?
C55_4 N16_4 C15_4 114(2) . . ?
C25_4 N21_4 C22_4 108.0 . . ?
C25_4 N21_4 Fe2_4 111.5(10) . . ?
C22_4 N21_4 Fe2_4 140.5(10) . . ?
C23_4 C22_4 N21_4 108.0 . . ?
C23_4 C22_4 H22_4 126.0 . . ?
N21_4 C22_4 H22_4 126.0 . . ?
C22_4 C23_4 N24_4 108.0 . . ?
C22_4 C23_4 H23_4 126.0 . . ?
N24_4 C23_4 H23_4 126.0 . . ?
C26_4 N24_4 C23_4 129.8(14) . . ?
C26_4 N24_4 C25_4 122.2(14) . . ?
C23_4 N24_4 C25_4 108.0 . . ?
C27_4 C25_4 N21_4 121.2(13) . . ?
C27_4 C25_4 N24_4 130.8(13) . . ?
N21_4 C25_4 N24_4 108.0 . . ?
N24_4 C26_4 H26A_4 109.5 . . ?
N24_4 C26_4 H26B_4 109.5 . . ?
H26A_4 C26_4 H26B_4 109.5 . . ?
N24_4 C26_4 H26C_4 109.5 . . ?
H26A_4 C26_4 H26C_4 109.5 . . ?
H26B_4 C26_4 H26C_4 109.5 . . ?
N28_4 C27_4 C25_4 118.1(16) . . ?
N28_4 C27_4 H27_4 121.0 . . ?
C25_4 C27_4 H27_4 121.0 . . ?
C27_4 N28_4 C29_4 116.9(15) . . ?
C27_4 N28_4 Fe2_4 114.3(12) . . ?
C29_4 N28_4 Fe2_4 126.9(14) . . ?
C34_4 C29_4 C30_4 120.0 . . ?
C34_4 C29_4 N28_4 120.9(12) . . ?
C30_4 C29_4 N28_4 119.0(12) . . ?
C31_4 C30_4 C29_4 120.0 . . ?
C31_4 C30_4 H30_4 120.0 . . ?
C29_4 C30_4 H30_4 120.0 . . ?
C30_4 C31_4 C32_4 120.0 . . ?
C30_4 C31_4 H31_4 120.0 . . ?
C32_4 C31_4 H31_4 120.0 . . ?
C33_4 C32_4 C31_4 120.0 . . ?
C33_4 C32_4 C35_4 119.6(11) . . ?
C31_4 C32_4 C35_4 119.8(11) . . ?
C32_4 C33_4 C34_4 120.0 . . ?
C32_4 C33_4 H33_4 120.0 . . ?
C34_4 C33_4 H33_4 120.0 . . ?
C33_4 C34_4 C29_4 120.0 . . ?
C33_4 C34_4 H34_4 120.0 . . ?
C29_4 C34_4 H34_4 120.0 . . ?
N56_4 C35_4 N36_4 126(2) . . ?
N56_4 C35_4 C32_4 116.8(19) . . ?
N36_4 C35_4 C32_4 117.1(17) . . ?
C35_4 N36_4 C15_4 114(2) . . ?
C45_4 N41_4 C42_4 108.0 . . ?
C45_4 N41_4 Fe3_4 109.4(11) . . ?
C42_4 N41_4 Fe3_4 141.2(11) . . ?
C43_4 C42_4 N41_4 108.0 . . ?
C43_4 C42_4 H42_4 126.0 . . ?
N41_4 C42_4 H42_4 126.0 . . ?
N44_4 C43_4 C42_4 108.0 . . ?
N44_4 C43_4 H43_4 126.0 . . ?
C42_4 C43_4 H43_4 126.0 . . ?
C46_4 N44_4 C43_4 130.0(15) . . ?
C46_4 N44_4 C45_4 122.0(15) . . ?
C43_4 N44_4 C45_4 108.0 . . ?
C47_4 C45_4 N41_4 120.6(13) . . ?
C47_4 C45_4 N44_4 131.4(13) . . ?
N41_4 C45_4 N44_4 108.0 . . ?
N44_4 C46_4 H46A_4 109.5 . . ?
N44_4 C46_4 H46B_4 109.5 . . ?
H46A_4 C46_4 H46B_4 109.5 . . ?
N44_4 C46_4 H46C_4 109.5 . . ?
H46A_4 C46_4 H46C_4 109.5 . . ?
H46B_4 C46_4 H46C_4 109.5 . . ?
N48_4 C47_4 C45_4 119.5(17) . . ?
N48_4 C47_4 H47_4 120.2 . . ?
C45_4 C47_4 H47_4 120.2 . . ?
C47_4 N48_4 C49_4 115.2(15) . . ?
C47_4 N48_4 Fe3_4 113.8(12) . . ?
C49_4 N48_4 Fe3_4 130.9(14) . . ?
C50_4 C49_4 C54_4 120.0 . . ?
C50_4 C49_4 N48_4 119.8(12) . . ?
C54_4 C49_4 N48_4 120.1(12) . . ?
C51_4 C50_4 C49_4 120.0 . . ?
C51_4 C50_4 H50_4 120.0 . . ?
C49_4 C50_4 H50_4 120.0 . . ?
C52_4 C51_4 C50_4 120.0 . . ?
C52_4 C51_4 H51_4 120.0 . . ?
C50_4 C51_4 H51_4 120.0 . . ?
C51_4 C52_4 C53_4 120.0 . . ?
C51_4 C52_4 C55_4 119.5(11) . . ?
C53_4 C52_4 C55_4 120.5(11) . . ?
C54_4 C53_4 C52_4 120.0 . . ?
C54_4 C53_4 H53_4 120.0 . . ?
C52_4 C53_4 H53_4 120.0 . . ?
C53_4 C54_4 C49_4 120.0 . . ?
C53_4 C54_4 H54_4 120.0 . . ?
C49_4 C54_4 H54_4 120.0 . . ?
N16_4 C55_4 N56_4 127(2) . . ?
N16_4 C55_4 C52_4 116(2) . . ?
N56_4 C55_4 C52_4 116.9(17) . . ?
C35_4 N56_4 C55_4 115(2) . . ?
C62_4 N61_4 C65_4 108.0 . . ?
C62_4 N61_4 Fe2_4 140.3(11) . . ?
C65_4 N61_4 Fe2_4 111.0(11) . . ?
N61_4 C62_4 C63_4 108.0 . . ?
N61_4 C62_4 H62_4 126.0 . . ?
C63_4 C62_4 H62_4 126.0 . . ?
C62_4 C63_4 N64_4 108.0 . . ?
C62_4 C63_4 H63_4 126.0 . . ?
N64_4 C63_4 H63_4 126.0 . . ?
C66_4 N64_4 C65_4 120.6(14) . . ?
C66_4 N64_4 C63_4 131.4(14) . . ?
C65_4 N64_4 C63_4 108.0 . . ?
C67_4 C65_4 N64_4 130.3(13) . . ?
C67_4 C65_4 N61_4 121.7(13) . . ?
N64_4 C65_4 N61_4 108.0 . . ?
N64_4 C66_4 H66A_4 109.5 . . ?
N64_4 C66_4 H66B_4 109.5 . . ?
H66A_4 C66_4 H66B_4 109.5 . . ?
N64_4 C66_4 H66C_4 109.5 . . ?
H66A_4 C66_4 H66C_4 109.5 . . ?
H66B_4 C66_4 H66C_4 109.5 . . ?
N68_4 C67_4 C65_4 117.6(16) . . ?
N68_4 C67_4 H67_4 121.2 . . ?
C65_4 C67_4 H67_4 121.2 . . ?
C67_4 N68_4 C69_4 117.5(15) . . ?
C67_4 N68_4 Fe2_4 113.7(12) . . ?
C69_4 N68_4 Fe2_4 128.8(14) . . ?
C70_4 C69_4 C74_4 120.0 . . ?
C70_4 C69_4 N68_4 120.2(12) . . ?
C74_4 C69_4 N68_4 119.5(12) . . ?
C71_4 C70_4 C69_4 120.0 . . ?
C71_4 C70_4 H70_4 120.0 . . ?
C69_4 C70_4 H70_4 120.0 . . ?
C70_4 C71_4 C72_4 120.0 . . ?
C70_4 C71_4 H71_4 120.0 . . ?
C72_4 C71_4 H71_4 120.0 . . ?
C71_4 C72_4 C73_4 120.0 . . ?
C71_4 C72_4 C75_4 121.5(11) . . ?
C73_4 C72_4 C75_4 118.4(11) . . ?
C74_4 C73_4 C72_4 120.0 . . ?
C74_4 C73_4 H73_4 120.0 . . ?
C72_4 C73_4 H73_4 120.0 . . ?
C73_4 C74_4 C69_4 120.0 . . ?
C73_4 C74_4 H74_4 120.0 . . ?
C69_4 C74_4 H74_4 120.0 . . ?
N116_4 C75_4 N76_4 126(2) . . ?
N116_4 C75_4 C72_4 118.2(19) . . ?
N76_4 C75_4 C72_4 115.4(17) . . ?
C75_4 N76_4 C95_4 114(2) . . ?
C82_4 N81_4 C85_4 108.0 . . ?
C82_4 N81_4 Fe3_4 139.2(11) . . ?
C85_4 N81_4 Fe3_4 112.5(11) . . ?
N81_4 C82_4 C83_4 108.0 . . ?
N81_4 C82_4 H82_4 126.0 . . ?
C83_4 C82_4 H82_4 126.0 . . ?
N84_4 C83_4 C82_4 108.0 . . ?
N84_4 C83_4 H83_4 126.0 . . ?
C82_4 C83_4 H83_4 126.0 . . ?
C86_4 N84_4 C85_4 122.7(14) . . ?
C86_4 N84_4 C83_4 129.3(14) . . ?
C85_4 N84_4 C83_4 108.0 . . ?
C87_4 C85_4 N84_4 131.7(13) . . ?
C87_4 C85_4 N81_4 120.3(13) . . ?
N84_4 C85_4 N81_4 108.0 . . ?
N84_4 C86_4 H86A_4 109.5 . . ?
N84_4 C86_4 H86B_4 109.5 . . ?
H86A_4 C86_4 H86B_4 109.5 . . ?
N84_4 C86_4 H86C_4 109.5 . . ?
H86A_4 C86_4 H86C_4 109.5 . . ?
H86B_4 C86_4 H86C_4 109.5 . . ?
N88_4 C87_4 C85_4 118.1(16) . . ?
N88_4 C87_4 H87_4 120.9 . . ?
C85_4 C87_4 H87_4 120.9 . . ?
C87_4 N88_4 C89_4 118.4(15) . . ?
C87_4 N88_4 Fe3_4 113.4(12) . . ?
C89_4 N88_4 Fe3_4 128.1(13) . . ?
C90_4 C89_4 C94_4 120.0 . . ?
C90_4 C89_4 N88_4 120.7(12) . . ?
C94_4 C89_4 N88_4 119.1(12) . . ?
C89_4 C90_4 C91_4 120.0 . . ?
C89_4 C90_4 H90_4 120.0 . . ?
C91_4 C90_4 H90_4 120.0 . . ?
C92_4 C91_4 C90_4 120.0 . . ?
C92_4 C91_4 H91_4 120.0 . . ?
C90_4 C91_4 H91_4 120.0 . . ?
C93_4 C92_4 C91_4 120.0 . . ?
C93_4 C92_4 C95_4 119.1(11) . . ?
C91_4 C92_4 C95_4 120.9(11) . . ?
C94_4 C93_4 C92_4 120.0 . . ?
C94_4 C93_4 H93_4 120.0 . . ?
C92_4 C93_4 H93_4 120.0 . . ?
C93_4 C94_4 C89_4 120.0 . . ?
C93_4 C94_4 H94_4 120.0 . . ?
C89_4 C94_4 H94_4 120.0 . . ?
N96_4 C95_4 N76_4 125(2) . . ?
N96_4 C95_4 C92_4 116.4(17) . . ?
N76_4 C95_4 C92_4 118.5(18) . . ?
C95_4 N96_4 C115_4 114(2) . . ?
C105_4 N101_4 C102_4 108.0 . . ?
C105_4 N101_4 Fe4_4 111.6(10) . . ?
C102_4 N101_4 Fe4_4 140.0(10) . . ?
C103_4 C102_4 N101_4 108.0 . . ?
C103_4 C102_4 H102_4 126.0 . . ?
N101_4 C102_4 H102_4 126.0 . . ?
C102_4 C103_4 N104_4 108.0 . . ?
C102_4 C103_4 H103_4 126.0 . . ?
N104_4 C103_4 H103_4 126.0 . . ?
C106_4 N104_4 C105_4 120.8(14) . . ?
C106_4 N104_4 C103_4 131.2(14) . . ?
C105_4 N104_4 C103_4 108.0 . . ?
C107_4 C105_4 N101_4 121.2(12) . . ?
C107_4 C105_4 N104_4 130.8(12) . . ?
N101_4 C105_4 N104_4 108.0 . . ?
N104_4 C106_4 H10A_4 109.5 . . ?
N104_4 C106_4 H10B_4 109.5 . . ?
H10A_4 C106_4 H10B_4 109.5 . . ?
N104_4 C106_4 H10C_4 109.5 . . ?
H10A_4 C106_4 H10C_4 109.5 . . ?
H10B_4 C106_4 H10C_4 109.5 . . ?
N108_4 C107_4 C105_4 117.7(16) . . ?
N108_4 C107_4 H107_4 121.1 . . ?
C105_4 C107_4 H107_4 121.1 . . ?
C107_4 N108_4 C109_4 117.9(15) . . ?
C107_4 N108_4 Fe4_4 112.5(12) . . ?
C109_4 N108_4 Fe4_4 129.5(13) . . ?
C110_4 C109_4 C114_4 120.0 . . ?
C110_4 C109_4 N108_4 117.9(12) . . ?
C114_4 C109_4 N108_4 121.8(12) . . ?
C111_4 C110_4 C109_4 120.0 . . ?
C111_4 C110_4 H110_4 120.0 . . ?
C109_4 C110_4 H110_4 120.0 . . ?
C110_4 C111_4 C112_4 120.0 . . ?
C110_4 C111_4 H111_4 120.0 . . ?
C112_4 C111_4 H111_4 120.0 . . ?
C111_4 C112_4 C113_4 120.0 . . ?
C111_4 C112_4 C115_4 119.0(11) . . ?
C113_4 C112_4 C115_4 121.0(11) . . ?
C112_4 C113_4 C114_4 120.0 . . ?
C112_4 C113_4 H113_4 120.0 . . ?
C114_4 C113_4 H113_4 120.0 . . ?
C113_4 C114_4 C109_4 120.0 . . ?
C113_4 C114_4 H114_4 120.0 . . ?
C109_4 C114_4 H114_4 120.0 . . ?
N116_4 C115_4 N96_4 126(2) . . ?
N116_4 C115_4 C112_4 116.7(17) . . ?
N96_4 C115_4 C112_4 117.6(18) . . ?
C75_4 N116_4 C115_4 114(2) . . ?
C125_4 N121_4 C122_4 108.0 . . ?
C125_4 N121_4 Fe3_4 110.8(10) . . ?
C122_4 N121_4 Fe3_4 141.2(10) . . ?
N121_4 C122_4 C123_4 108.0 . . ?
N121_4 C122_4 H122_4 126.0 . . ?
C123_4 C122_4 H122_4 126.0 . . ?
N124_4 C123_4 C122_4 108.0 . . ?
N124_4 C123_4 H123_4 126.0 . . ?
C122_4 C123_4 H123_4 126.0 . . ?
C126_4 N124_4 C123_4 129.2(14) . . ?
C126_4 N124_4 C125_4 122.8(14) . . ?
C123_4 N124_4 C125_4 108.0 . . ?
C127_4 C125_4 N121_4 120.1(12) . . ?
C127_4 C125_4 N124_4 131.9(12) . . ?
N121_4 C125_4 N124_4 108.0 . . ?
N124_4 C126_4 H12A_4 109.5 . . ?
N124_4 C126_4 H12B_4 109.5 . . ?
H12A_4 C126_4 H12B_4 109.5 . . ?
N124_4 C126_4 H12C_4 109.5 . . ?
H12A_4 C126_4 H12C_4 109.5 . . ?
H12B_4 C126_4 H12C_4 109.5 . . ?
N128_4 C127_4 C125_4 118.9(16) . . ?
N128_4 C127_4 H127_4 120.5 . . ?
C125_4 C127_4 H127_4 120.5 . . ?
C127_4 N128_4 C129_4 116.3(15) . . ?
C127_4 N128_4 Fe3_4 114.1(12) . . ?
C129_4 N128_4 Fe3_4 128.9(14) . . ?
C130_4 C129_4 C134_4 120.0 . . ?
C130_4 C129_4 N128_4 119.5(12) . . ?
C134_4 C129_4 N128_4 120.2(12) . . ?
C129_4 C130_4 C131_4 120.0 . . ?
C129_4 C130_4 H130_4 120.0 . . ?
C131_4 C130_4 H130_4 120.0 . . ?
C132_4 C131_4 C130_4 120.0 . . ?
C132_4 C131_4 H131_4 120.0 . . ?
C130_4 C131_4 H131_4 120.0 . . ?
C133_4 C132_4 C131_4 120.0 . . ?
C133_4 C132_4 C135_4 119.0(11) . . ?
C131_4 C132_4 C135_4 120.4(11) . . ?
C132_4 C133_4 C134_4 120.0 . . ?
C132_4 C133_4 H133_4 120.0 . . ?
C134_4 C133_4 H133_4 120.0 . . ?
C129_4 C134_4 C133_4 120.0 . . ?
C129_4 C134_4 H134_4 120.0 . . ?
C133_4 C134_4 H134_4 120.0 . . ?
N176_4 C135_4 N136_4 124(2) . . ?
N176_4 C135_4 C132_4 118.5(19) . . ?
N136_4 C135_4 C132_4 117.7(17) . . ?
C155_4 N136_4 C135_4 117(2) . . ?
C145_4 N141_4 C142_4 108.0 . . ?
C145_4 N141_4 Fe1_4 111.9(10) . . ?
C142_4 N141_4 Fe1_4 139.3(10) . . ?
N141_4 C142_4 C143_4 108.0 . . ?
N141_4 C142_4 H142_4 126.0 . . ?
C143_4 C142_4 H142_4 126.0 . . ?
N144_4 C143_4 C142_4 108.0 . . ?
N144_4 C143_4 H143_4 126.0 . . ?
C142_4 C143_4 H143_4 126.0 . . ?
C146_4 N144_4 C143_4 128.5(14) . . ?
C146_4 N144_4 C145_4 123.5(14) . . ?
C143_4 N144_4 C145_4 108.0 . . ?
C147_4 C145_4 N141_4 120.1(13) . . ?
C147_4 C145_4 N144_4 131.9(13) . . ?
N141_4 C145_4 N144_4 108.0 . . ?
N144_4 C146_4 H14A_4 109.5 . . ?
N144_4 C146_4 H14B_4 109.5 . . ?
H14A_4 C146_4 H14B_4 109.5 . . ?
N144_4 C146_4 H14C_4 109.5 . . ?
H14A_4 C146_4 H14C_4 109.5 . . ?
H14B_4 C146_4 H14C_4 109.5 . . ?
N148_4 C147_4 C145_4 118.1(16) . . ?
N148_4 C147_4 H147_4 120.9 . . ?
C145_4 C147_4 H147_4 120.9 . . ?
C147_4 N148_4 C149_4 119.4(15) . . ?
C147_4 N148_4 Fe1_4 112.4(12) . . ?
C149_4 N148_4 Fe1_4 127.7(14) . . ?
C150_4 C149_4 C154_4 120.0 . . ?
C150_4 C149_4 N148_4 120.4(12) . . ?
C154_4 C149_4 N148_4 119.6(12) . . ?
C149_4 C150_4 C151_4 120.0 . . ?
C149_4 C150_4 H150_4 120.0 . . ?
C151_4 C150_4 H150_4 120.0 . . ?
C152_4 C151_4 C150_4 120.0 . . ?
C152_4 C151_4 H151_4 120.0 . . ?
C150_4 C151_4 H151_4 120.0 . . ?
C151_4 C152_4 C153_4 120.0 . . ?
C151_4 C152_4 C155_4 121.0(11) . . ?
C153_4 C152_4 C155_4 119.0(11) . . ?
C154_4 C153_4 C152_4 120.0 . . ?
C154_4 C153_4 H153_4 120.0 . . ?
C152_4 C153_4 H153_4 120.0 . . ?
C153_4 C154_4 C149_4 120.0 . . ?
C153_4 C154_4 H154_4 120.0 . . ?
C149_4 C154_4 H154_4 120.0 . . ?
N136_4 C155_4 N156_4 123(2) . . ?
N136_4 C155_4 C152_4 120.2(19) . . ?
N156_4 C155_4 C152_4 116.8(17) . . ?
C175_4 N156_4 C155_4 115(2) . . ?
C162_4 N161_4 C165_4 108.0 . . ?
C162_4 N161_4 Fe4_4 140.3(11) . . ?
C165_4 N161_4 Fe4_4 109.9(11) . . ?
N161_4 C162_4 C163_4 108.0 . . ?
N161_4 C162_4 H162_4 126.0 . . ?
C163_4 C162_4 H162_4 126.0 . . ?
N164_4 C163_4 C162_4 108.0 . . ?
N164_4 C163_4 H163_4 126.0 . . ?
C162_4 C163_4 H163_4 126.0 . . ?
C166_4 N164_4 C163_4 128.1(15) . . ?
C166_4 N164_4 C165_4 123.9(15) . . ?
C163_4 N164_4 C165_4 108.0 . . ?
C167_4 C165_4 N164_4 132.1(13) . . ?
C167_4 C165_4 N161_4 119.9(13) . . ?
N164_4 C165_4 N161_4 108.0 . . ?
N164_4 C166_4 H16A_4 109.5 . . ?
N164_4 C166_4 H16B_4 109.5 . . ?
H16A_4 C166_4 H16B_4 109.5 . . ?
N164_4 C166_4 H16C_4 109.5 . . ?
H16A_4 C166_4 H16C_4 109.5 . . ?
H16B_4 C166_4 H16C_4 109.5 . . ?
N168_4 C167_4 C165_4 119.2(17) . . ?
N168_4 C167_4 H167_4 120.4 . . ?
C165_4 C167_4 H167_4 120.4 . . ?
C167_4 N168_4 C169_4 115.5(15) . . ?
C167_4 N168_4 Fe4_4 114.8(12) . . ?
C169_4 N168_4 Fe4_4 129.7(14) . . ?
C170_4 C169_4 C174_4 120.0 . . ?
C170_4 C169_4 N168_4 118.6(12) . . ?
C174_4 C169_4 N168_4 121.3(12) . . ?
C171_4 C170_4 C169_4 120.0 . . ?
C171_4 C170_4 H170_4 120.0 . . ?
C169_4 C170_4 H170_4 120.0 . . ?
C170_4 C171_4 C172_4 120.0 . . ?
C170_4 C171_4 H171_4 120.0 . . ?
C172_4 C171_4 H171_4 120.0 . . ?
C171_4 C172_4 C173_4 120.0 . . ?
C171_4 C172_4 C175_4 119.7(11) . . ?
C173_4 C172_4 C175_4 120.2(11) . . ?
C174_4 C173_4 C172_4 120.0 . . ?
C174_4 C173_4 H173_4 120.0 . . ?
C172_4 C173_4 H173_4 120.0 . . ?
C173_4 C174_4 C169_4 120.0 . . ?
C173_4 C174_4 H174_4 120.0 . . ?
C169_4 C174_4 H174_4 120.0 . . ?
N156_4 C175_4 N176_4 125(2) . . ?
N156_4 C175_4 C172_4 117.9(19) . . ?
N176_4 C175_4 C172_4 117.6(17) . . ?
C135_4 N176_4 C175_4 117(2) . . ?
C182_4 N181_4 C185_4 108.0 . . ?
C182_4 N181_4 Fe4_4 139.9(10) . . ?
C185_4 N181_4 Fe4_4 112.1(10) . . ?
N181_4 C182_4 C183_4 108.0 . . ?
N181_4 C182_4 H182_4 126.0 . . ?
C183_4 C182_4 H182_4 126.0 . . ?
C182_4 C183_4 N184_4 108.0 . . ?
C182_4 C183_4 H183_4 126.0 . . ?
N184_4 C183_4 H183_4 126.0 . . ?
C186_4 N184_4 C185_4 121.6(14) . . ?
C186_4 N184_4 C183_4 130.4(14) . . ?
C185_4 N184_4 C183_4 108.0 . . ?
C187_4 C185_4 N184_4 131.2(13) . . ?
C187_4 C185_4 N181_4 120.7(13) . . ?
N184_4 C185_4 N181_4 108.0 . . ?
N184_4 C186_4 H18A_4 109.5 . . ?
N184_4 C186_4 H18B_4 109.5 . . ?
H18A_4 C186_4 H18B_4 109.5 . . ?
N184_4 C186_4 H18C_4 109.5 . . ?
H18A_4 C186_4 H18C_4 109.5 . . ?
H18B_4 C186_4 H18C_4 109.5 . . ?
N188_4 C187_4 C185_4 118.1(16) . . ?
N188_4 C187_4 H187_4 121.0 . . ?
C185_4 C187_4 H187_4 121.0 . . ?
C187_4 N188_4 C189_4 115.8(15) . . ?
C187_4 N188_4 Fe4_4 113.6(12) . . ?
C189_4 N188_4 Fe4_4 128.7(15) . . ?
C190_4 C189_4 C194_4 120.0 . . ?
C190_4 C189_4 N188_4 119.4(12) . . ?
C194_4 C189_4 N188_4 120.5(12) . . ?
C191_4 C190_4 C189_4 120.0 . . ?
C191_4 C190_4 H190_4 120.0 . . ?
C189_4 C190_4 H190_4 120.0 . . ?
C190_4 C191_4 C192_4 120.0 . . ?
C190_4 C191_4 H191_4 120.0 . . ?
C192_4 C191_4 H191_4 120.0 . . ?
C193_4 C192_4 C191_4 120.0 . . ?
C193_4 C192_4 C195_4 119.3(11) . . ?
C191_4 C192_4 C195_4 120.1(11) . . ?
C194_4 C193_4 C192_4 120.0 . . ?
C194_4 C193_4 H193_4 120.0 . . ?
C192_4 C193_4 H193_4 120.0 . . ?
C193_4 C194_4 C189_4 120.0 . . ?
C193_4 C194_4 H194_4 120.0 . . ?
C189_4 C194_4 H194_4 120.0 . . ?
N236_4 C195_4 N196_4 127(2) . . ?
N236_4 C195_4 C192_4 114.5(18) . . ?
N196_4 C195_4 C192_4 118.1(17) . . ?
C215_4 N196_4 C195_4 116(2) . . ?
C202_4 N201_4 C205_4 108.0 . . ?
C202_4 N201_4 Fe1_4 139.4(10) . . ?
C205_4 N201_4 Fe1_4 111.9(10) . . ?
C203_4 C202_4 N201_4 108.0 . . ?
C203_4 C202_4 H202_4 126.0 . . ?
N201_4 C202_4 H202_4 126.0 . . ?
C202_4 C203_4 N204_4 108.0 . . ?
C202_4 C203_4 H203_4 126.0 . . ?
N204_4 C203_4 H203_4 126.0 . . ?
C206_4 N204_4 C205_4 122.7(14) . . ?
C206_4 N204_4 C203_4 129.3(14) . . ?
C205_4 N204_4 C203_4 108.0 . . ?
C207_4 C205_4 N204_4 131.4(12) . . ?
C207_4 C205_4 N201_4 120.6(12) . . ?
N204_4 C205_4 N201_4 108.0 . . ?
N204_4 C206_4 H20A_4 109.5 . . ?
N204_4 C206_4 H20B_4 109.5 . . ?
H20A_4 C206_4 H20B_4 109.5 . . ?
N204_4 C206_4 H20C_4 109.5 . . ?
H20A_4 C206_4 H20C_4 109.5 . . ?
H20B_4 C206_4 H20C_4 109.5 . . ?
N208_4 C207_4 C205_4 117.6(16) . . ?
N208_4 C207_4 H207_4 121.2 . . ?
C205_4 C207_4 H207_4 121.2 . . ?
C207_4 N208_4 C209_4 118.4(15) . . ?
C207_4 N208_4 Fe1_4 113.9(12) . . ?
C209_4 N208_4 Fe1_4 127.1(14) . . ?
C210_4 C209_4 C214_4 120.0 . . ?
C210_4 C209_4 N208_4 120.3(12) . . ?
C214_4 C209_4 N208_4 119.7(12) . . ?
C211_4 C210_4 C209_4 120.0 . . ?
C211_4 C210_4 H210_4 120.0 . . ?
C209_4 C210_4 H210_4 120.0 . . ?
C210_4 C211_4 C212_4 120.0 . . ?
C210_4 C211_4 H211_4 120.0 . . ?
C212_4 C211_4 H211_4 120.0 . . ?
C213_4 C212_4 C211_4 120.0 . . ?
C213_4 C212_4 C215_4 118.9(11) . . ?
C211_4 C212_4 C215_4 121.1(11) . . ?
C212_4 C213_4 C214_4 120.0 . . ?
C212_4 C213_4 H213_4 120.0 . . ?
C214_4 C213_4 H213_4 120.0 . . ?
C213_4 C214_4 C209_4 120.0 . . ?
C213_4 C214_4 H214_4 120.0 . . ?
C209_4 C214_4 H214_4 120.0 . . ?
N196_4 C215_4 N216_4 125(2) . . ?
N196_4 C215_4 C212_4 118.7(19) . . ?
N216_4 C215_4 C212_4 116.4(17) . . ?
C215_4 N216_4 C235_4 114(2) . . ?
C222_4 N221_4 C225_4 108.0 . . ?
C222_4 N221_4 Fe2_4 140.7(11) . . ?
C225_4 N221_4 Fe2_4 110.3(11) . . ?
C223_4 C222_4 N221_4 108.0 . . ?
C223_4 C222_4 H222_4 126.0 . . ?
N221_4 C222_4 H222_4 126.0 . . ?
C222_4 C223_4 N224_4 108.0 . . ?
C222_4 C223_4 H223_4 126.0 . . ?
N224_4 C223_4 H223_4 126.0 . . ?
C226_4 N224_4 C225_4 123.1(15) . . ?
C226_4 N224_4 C223_4 128.9(15) . . ?
C225_4 N224_4 C223_4 108.0 . . ?
C227_4 C225_4 N224_4 132.0(13) . . ?
C227_4 C225_4 N221_4 120.0(13) . . ?
N224_4 C225_4 N221_4 108.0 . . ?
N224_4 C226_4 H22A_4 108.8 . . ?
N224_4 C226_4 H22B_4 109.3 . . ?
H22A_4 C226_4 H22B_4 109.5 . . ?
N224_4 C226_4 H22C_4 110.3 . . ?
H22A_4 C226_4 H22C_4 109.5 . . ?
H22B_4 C226_4 H22C_4 109.5 . . ?
N228_4 C227_4 C225_4 118.8(16) . . ?
N228_4 C227_4 H227_4 120.6 . . ?
C225_4 C227_4 H227_4 120.6 . . ?
C227_4 N228_4 C229_4 115.6(15) . . ?
C227_4 N228_4 Fe2_4 114.9(12) . . ?
C229_4 N228_4 Fe2_4 129.1(14) . . ?
C230_4 C229_4 C234_4 120.0 . . ?
C230_4 C229_4 N228_4 119.0(12) . . ?
C234_4 C229_4 N228_4 120.7(12) . . ?
C229_4 C230_4 C231_4 120.0 . . ?
C229_4 C230_4 H230_4 120.0 . . ?
C231_4 C230_4 H230_4 120.0 . . ?
C230_4 C231_4 C232_4 120.0 . . ?
C230_4 C231_4 H231_4 120.0 . . ?
C232_4 C231_4 H231_4 120.0 . . ?
C233_4 C232_4 C231_4 120.0 . . ?
C233_4 C232_4 C235_4 120.5(11) . . ?
C231_4 C232_4 C235_4 119.4(11) . . ?
C232_4 C233_4 C234_4 120.0 . . ?
C232_4 C233_4 H233_4 120.0 . . ?
C234_4 C233_4 H233_4 120.0 . . ?
C233_4 C234_4 C229_4 120.0 . . ?
C233_4 C234_4 H234_4 120.0 . . ?
C229_4 C234_4 H234_4 120.0 . . ?
N236_4 C235_4 N216_4 126(2) . . ?
N236_4 C235_4 C232_4 116.8(17) . . ?
N216_4 C235_4 C232_4 117.1(18) . . ?
C195_4 N236_4 C235_4 112(2) . . ?
F2_5 B1_5 F1_5 109.1 . . ?
F2_5 B1_5 F4_5 112.0 . . ?
F1_5 B1_5 F4_5 109.6 . . ?
F2_5 B1_5 F3_5 108.3 . . ?
F1_5 B1_5 F3_5 109.8 . . ?
F4_5 B1_5 F3_5 108.0 . . ?
F2_6 B1_6 F1_6 109.1 . . ?
F2_6 B1_6 F4_6 112.0 . . ?
F1_6 B1_6 F4_6 109.6 . . ?
F2_6 B1_6 F3_6 108.3 . . ?
F1_6 B1_6 F3_6 109.7 . . ?
F4_6 B1_6 F3_6 108.0 . . ?
F2_7 B1_7 F1_7 109.1 . . ?
F2_7 B1_7 F4_7 111.9 . . ?
F1_7 B1_7 F4_7 109.7 . . ?
F2_7 B1_7 F3_7 108.3 . . ?
F1_7 B1_7 F3_7 109.7 . . ?
F4_7 B1_7 F3_7 108.0 . . ?
F2_8 B1_8 F1_8 109.1 . . ?
F2_8 B1_8 F4_8 111.9 . . ?
F1_8 B1_8 F4_8 109.6 . . ?
F2_8 B1_8 F3_8 108.3 . . ?
F1_8 B1_8 F3_8 109.7 . . ?
F4_8 B1_8 F3_8 108.1 . . ?
F2_9 B1_9 F1_9 109.1 . . ?
F2_9 B1_9 F4_9 112.0 . . ?
F1_9 B1_9 F4_9 109.6 . . ?
F2_9 B1_9 F3_9 108.3 . . ?
F1_9 B1_9 F3_9 109.7 . . ?
F4_9 B1_9 F3_9 108.1 . . ?
F2_10 B1_10 F1_10 109.1 . . ?
F2_10 B1_10 F4_10 111.9 . . ?
F1_10 B1_10 F4_10 109.7 . . ?
F2_10 B1_10 F3_10 108.3 . . ?
F1_10 B1_10 F3_10 109.7 . . ?
F4_10 B1_10 F3_10 108.1 . . ?
F2_11 B1_11 F1_11 109.1 . . ?
F2_11 B1_11 F4_11 111.9 . . ?
F1_11 B1_11 F4_11 109.7 . . ?
F2_11 B1_11 F3_11 108.3 . . ?
F1_11 B1_11 F3_11 109.7 . . ?
F4_11 B1_11 F3_11 108.0 . . ?
F2_12 B1_12 F1_12 109.1 . . ?
F2_12 B1_12 F4_12 111.9 . . ?
F1_12 B1_12 F4_12 109.7 . . ?
F2_12 B1_12 F3_12 108.3 . . ?
F1_12 B1_12 F3_12 109.7 . . ?
F4_12 B1_12 F3_12 108.1 . . ?
F2_13 B1_13 F1_13 109.1 . . ?
F2_13 B1_13 F4_13 112.0 . . ?
F1_13 B1_13 F4_13 109.7 . . ?
F2_13 B1_13 F3_13 108.3 . . ?
F1_13 B1_13 F3_13 109.7 . . ?
F4_13 B1_13 F3_13 108.0 . . ?
F2_14 B1_14 F1_14 109.1 . . ?
F2_14 B1_14 F4_14 111.9 . . ?
F1_14 B1_14 F4_14 109.7 . . ?
F2_14 B1_14 F3_14 108.3 . . ?
F1_14 B1_14 F3_14 109.7 . . ?
F4_14 B1_14 F3_14 108.0 . . ?
F2_15 B1_15 F1_15 109.1 . . ?
F2_15 B1_15 F4_15 111.9 . . ?
F1_15 B1_15 F4_15 109.6 . . ?
F2_15 B1_15 F3_15 108.3 . . ?
F1_15 B1_15 F3_15 109.7 . . ?
F4_15 B1_15 F3_15 108.1 . . ?
F2_16 B1_16 F1_16 109.1 . . ?
F2_16 B1_16 F4_16 112.0 . . ?
F1_16 B1_16 F4_16 109.7 . . ?
F2_16 B1_16 F3_16 108.3 . . ?
F1_16 B1_16 F3_16 109.8 . . ?
F4_16 B1_16 F3_16 108.0 . . ?
F2_17 B1_17 F1_17 109.1 . . ?
F2_17 B1_17 F4_17 112.0 . . ?
F1_17 B1_17 F4_17 109.6 . . ?
F2_17 B1_17 F3_17 108.3 . . ?
F1_17 B1_17 F3_17 109.7 . . ?
F4_17 B1_17 F3_17 108.1 . . ?
F2_18 B1_18 F1_18 109.1 . . ?
F2_18 B1_18 F4_18 112.0 . . ?
F1_18 B1_18 F4_18 109.7 . . ?
F2_18 B1_18 F3_18 108.3 . . ?
F1_18 B1_18 F3_18 109.7 . . ?
F4_18 B1_18 F3_18 108.0 . . ?
F2_19 B1_19 F1_19 109.1 . . ?
F2_19 B1_19 F4_19 111.9 . . ?
F1_19 B1_19 F4_19 109.7 . . ?
F2_19 B1_19 F3_19 108.3 . . ?
F1_19 B1_19 F3_19 109.8 . . ?
F4_19 B1_19 F3_19 108.1 . . ?
F2_20 B1_20 F1_20 109.1 . . ?
F2_20 B1_20 F4_20 112.0 . . ?
F1_20 B1_20 F4_20 109.7 . . ?
F2_20 B1_20 F3_20 108.3 . . ?
F1_20 B1_20 F3_20 109.7 . . ?
F4_20 B1_20 F3_20 108.1 . . ?
F2_21 B1_21 F1_21 109.1 . . ?
F2_21 B1_21 F4_21 112.0 . . ?
F1_21 B1_21 F4_21 109.6 . . ?
F2_21 B1_21 F3_21 108.3 . . ?
F1_21 B1_21 F3_21 109.8 . . ?
F4_21 B1_21 F3_21 108.1 . . ?
F2_22 B1_22 F1_22 109.1 . . ?
F2_22 B1_22 F4_22 111.9 . . ?
F1_22 B1_22 F4_22 109.7 . . ?
F2_22 B1_22 F3_22 108.3 . . ?
F1_22 B1_22 F3_22 109.7 . . ?
F4_22 B1_22 F3_22 108.1 . . ?
F2_23 B1_23 F1_23 109.1 . . ?
F2_23 B1_23 F4_23 112.0 . . ?
F1_23 B1_23 F4_23 109.7 . . ?
F2_23 B1_23 F3_23 108.3 . . ?
F1_23 B1_23 F3_23 109.7 . . ?
F4_23 B1_23 F3_23 108.1 . . ?
F2_24 B1_24 F1_24 109.1 . . ?
F2_24 B1_24 F4_24 112.0 . . ?
F1_24 B1_24 F4_24 109.7 . . ?
F2_24 B1_24 F3_24 108.3 . . ?
F1_24 B1_24 F3_24 109.8 . . ?
F4_24 B1_24 F3_24 108.0 . . ?
F2_25 B1_25 F1_25 109.1 . . ?
F2_25 B1_25 F4_25 111.9 . . ?
F1_25 B1_25 F4_25 109.6 . . ?
F2_25 B1_25 F3_25 108.3 . . ?
F1_25 B1_25 F3_25 109.7 . . ?
F4_25 B1_25 F3_25 108.1 . . ?
F2_26 B1_26 F1_26 109.1 . . ?
F2_26 B1_26 F4_26 111.9 . . ?
F1_26 B1_26 F4_26 109.7 . . ?
F2_26 B1_26 F3_26 108.3 . . ?
F1_26 B1_26 F3_26 109.7 . . ?
F4_26 B1_26 F3_26 108.1 . . ?
F2_27 B1_27 F1_27 109.1 . . ?
F2_27 B1_27 F4_27 111.9 . . ?
F1_27 B1_27 F4_27 109.7 . . ?
F2_27 B1_27 F3_27 108.3 . . ?
F1_27 B1_27 F3_27 109.7 . . ?
F4_27 B1_27 F3_27 108.1 . . ?
F2_28 B1_28 F1_28 109.1 . . ?
F2_28 B1_28 F4_28 111.9 . . ?
F1_28 B1_28 F4_28 109.7 . . ?
F2_28 B1_28 F3_28 108.3 . . ?
F1_28 B1_28 F3_28 109.7 . . ?
F4_28 B1_28 F3_28 108.0 . . ?
F2_29 B1_29 F1_29 109.1 . . ?
F2_29 B1_29 F4_29 111.9 . . ?
F1_29 B1_29 F4_29 109.7 . . ?
F2_29 B1_29 F3_29 108.3 . . ?
F1_29 B1_29 F3_29 109.7 . . ?
F4_29 B1_29 F3_29 108.1 . . ?
F2_30 B1_30 F1_30 109.1 . . ?
F2_30 B1_30 F4_30 111.9 . . ?
F1_30 B1_30 F4_30 109.6 . . ?
F2_30 B1_30 F3_30 108.3 . . ?
F1_30 B1_30 F3_30 109.7 . . ?
F4_30 B1_30 F3_30 108.1 . . ?
F2_31 B1_31 F1_31 109.1 . . ?
F2_31 B1_31 F4_31 112.0 . . ?
F1_31 B1_31 F4_31 109.65(5) . . ?
F2_31 B1_31 F3_31 108.3 . . ?
F1_31 B1_31 F3_31 109.8 . . ?
F4_31 B1_31 F3_31 108.1 . . ?
F2_32 B1_32 F1_32 109.1 . . ?
F2_32 B1_32 F4_32 112.0 . . ?
F1_32 B1_32 F4_32 109.6 . . ?
F2_32 B1_32 F3_32 108.3 . . ?
F1_32 B1_32 F3_32 109.7 . . ?
F4_32 B1_32 F3_32 108.1 . . ?
F2_33 B1_33 F1_33 109.1 . . ?
F2_33 B1_33 F4_33 111.9 . . ?
F1_33 B1_33 F4_33 109.7 . . ?
F2_33 B1_33 F3_33 108.3 . . ?
F1_33 B1_33 F3_33 109.7 . . ?
F4_33 B1_33 F3_33 108.1 . . ?
F2_34 B1_34 F1_34 109.1 . . ?
F2_34 B1_34 F4_34 111.9 . . ?
F1_34 B1_34 F4_34 109.7 . . ?
F2_34 B1_34 F3_34 108.3 . . ?
F1_34 B1_34 F3_34 109.7 . . ?
F4_34 B1_34 F3_34 108.0 . . ?
F2_35 B1_35 F1_35 109.1 . . ?
F2_35 B1_35 F4_35 112.0 . . ?
F1_35 B1_35 F4_35 109.6 . . ?
F2_35 B1_35 F3_35 108.3 . . ?
F1_35 B1_35 F3_35 109.8 . . ?
F4_35 B1_35 F3_35 108.1 . . ?
F2_36 B1_36 F1_36 109.1 . . ?
F2_36 B1_36 F4_36 112.0 . . ?
F1_36 B1_36 F4_36 109.7 . . ?
F2_36 B1_36 F3_36 108.3 . . ?
F1_36 B1_36 F3_36 109.8 . . ?
F4_36 B1_36 F3_36 108.1 . . ?

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
C5_1 N1_1 C2_1 C3_1 0.0 . . . . ?
Fe1_1 N1_1 C2_1 C3_1 -167.2(19) . . . . ?
N1_1 C2_1 C3_1 N4_1 0.0 . . . . ?
C2_1 C3_1 N4_1 C6_1 179.9(5) . . . . ?
C2_1 C3_1 N4_1 C5_1 0.0 . . . . ?
C2_1 N1_1 C5_1 C7_1 179.9(5) . . . . ?
Fe1_1 N1_1 C5_1 C7_1 -9.1(14) . . . . ?
C2_1 N1_1 C5_1 N4_1 0.0 . . . . ?
Fe1_1 N1_1 C5_1 N4_1 171.0(14) . . . . ?
C6_1 N4_1 C5_1 C7_1 0.2(7) . . . . ?
C3_1 N4_1 C5_1 C7_1 -179.9(5) . . . . ?
C6_1 N4_1 C5_1 N1_1 -179.9(4) . . . . ?
C3_1 N4_1 C5_1 N1_1 0.0 . . . . ?
N1_1 C5_1 C7_1 N8_1 3(3) . . . . ?
N4_1 C5_1 C7_1 N8_1 -177(3) . . . . ?
C5_1 C7_1 N8_1 C9_1 -169.0(17) . . . . ?
C5_1 C7_1 N8_1 Fe1_1 5(3) . . . . ?
C7_1 N8_1 C9_1 C10_1 39(3) . . . . ?
Fe1_1 N8_1 C9_1 C10_1 -133.4(16) . . . . ?
C7_1 N8_1 C9_1 C14_1 -141(2) . . . . ?
Fe1_1 N8_1 C9_1 C14_1 46(3) . . . . ?
C14_1 C9_1 C10_1 C11_1 0.0 . . . . ?
N8_1 C9_1 C10_1 C11_1 179.6(19) . . . . ?
C9_1 C10_1 C11_1 C12_1 0.0 . . . . ?
C10_1 C11_1 C12_1 C13_1 0.0 . . . . ?
C10_1 C11_1 C12_1 C15_1 179.2(10) . . . . ?
C11_1 C12_1 C13_1 C14_1 0.0 . . . . ?
C15_1 C12_1 C13_1 C14_1 -179.2(10) . . . . ?
C12_1 C13_1 C14_1 C9_1 0.0 . . . . ?
C10_1 C9_1 C14_1 C13_1 0.0 . . . . ?
N8_1 C9_1 C14_1 C13_1 -179.6(19) . . . . ?
C11_1 C12_1 C15_1 N16_1 -7.5(10) . . . . ?
C13_1 C12_1 C15_1 N16_1 171.7(10) . . . . ?
C11_1 C12_1 C15_1 N56_1 172.6(11) . . . . ?
C13_1 C12_1 C15_1 N56_1 -8.2(11) . . . . ?
N56_1 C15_1 N16_1 C35_1 -0.2(7) . . . . ?
C12_1 C15_1 N16_1 C35_1 180.0(5) . . . . ?
C25_1 N21_1 C22_1 C23_1 0.0 . . . . ?
Fe2_1 N21_1 C22_1 C23_1 -179.9(18) . . . . ?
N21_1 C22_1 C23_1 N24_1 0.0 . . . . ?
C22_1 C23_1 N24_1 C26_1 179.9(5) . . . . ?
C22_1 C23_1 N24_1 C25_1 0.0 . . . . ?
C26_1 N24_1 C25_1 C27_1 0.3(7) . . . . ?
C23_1 N24_1 C25_1 C27_1 -179.9(5) . . . . ?
C26_1 N24_1 C25_1 N21_1 -179.9(5) . . . . ?
C23_1 N24_1 C25_1 N21_1 0.0 . . . . ?
C22_1 N21_1 C25_1 C27_1 179.9(5) . . . . ?
Fe2_1 N21_1 C25_1 C27_1 -0.2(13) . . . . ?
C22_1 N21_1 C25_1 N24_1 0.0 . . . . ?
Fe2_1 N21_1 C25_1 N24_1 179.9(13) . . . . ?
N24_1 C25_1 C27_1 N28_1 -179(3) . . . . ?
N21_1 C25_1 C27_1 N28_1 1(3) . . . . ?
C25_1 C27_1 N28_1 C29_1 -165.8(16) . . . . ?
C25_1 C27_1 N28_1 Fe2_1 -1(3) . . . . ?
C27_1 N28_1 C29_1 C30_1 -147(2) . . . . ?
Fe2_1 N28_1 C29_1 C30_1 50(2) . . . . ?
C27_1 N28_1 C29_1 C34_1 38(3) . . . . ?
Fe2_1 N28_1 C29_1 C34_1 -124.9(15) . . . . ?
C34_1 C29_1 C30_1 C31_1 0.0 . . . . ?
N28_1 C29_1 C30_1 C31_1 -175(2) . . . . ?
C29_1 C30_1 C31_1 C32_1 0.0 . . . . ?
C30_1 C31_1 C32_1 C33_1 0.0 . . . . ?
C30_1 C31_1 C32_1 C35_1 171.5(12) . . . . ?
C31_1 C32_1 C33_1 C34_1 0.0 . . . . ?
C35_1 C32_1 C33_1 C34_1 -171.4(13) . . . . ?
C32_1 C33_1 C34_1 C29_1 0.0 . . . . ?
C30_1 C29_1 C34_1 C33_1 0.0 . . . . ?
N28_1 C29_1 C34_1 C33_1 175(2) . . . . ?
C15_1 N16_1 C35_1 N36_1 0.0(11) . . . . ?
C15_1 N16_1 C35_1 C32_1 -179.9(7) . . . . ?
C31_1 C32_1 C35_1 N36_1 178.0(12) . . . . ?
C33_1 C32_1 C35_1 N36_1 -10.5(15) . . . . ?
C31_1 C32_1 C35_1 N16_1 -2.1(14) . . . . ?
C33_1 C32_1 C35_1 N16_1 169.4(11) . . . . ?
N16_1 C35_1 N36_1 C55_1 -0.1(15) . . . . ?
C32_1 C35_1 N36_1 C55_1 179.9(9) . . . . ?
C45_1 N41_1 C42_1 C43_1 0.0 . . . . ?
Fe3_1 N41_1 C42_1 C43_1 -161(2) . . . . ?
N41_1 C42_1 C43_1 N44_1 0.0 . . . . ?
C42_1 C43_1 N44_1 C46_1 180.0(5) . . . . ?
C42_1 C43_1 N44_1 C45_1 0.0 . . . . ?
C42_1 N41_1 C45_1 C47_1 180.0(5) . . . . ?
Fe3_1 N41_1 C45_1 C47_1 -13.0(14) . . . . ?
C42_1 N41_1 C45_1 N44_1 0.0 . . . . ?
Fe3_1 N41_1 C45_1 N44_1 167.0(14) . . . . ?
C46_1 N44_1 C45_1 C47_1 0.0(7) . . . . ?
C43_1 N44_1 C45_1 C47_1 -180.0(5) . . . . ?
C46_1 N44_1 C45_1 N41_1 180.0(5) . . . . ?
C43_1 N44_1 C45_1 N41_1 0.0 . . . . ?
N41_1 C45_1 C47_1 N48_1 10(3) . . . . ?
N44_1 C45_1 C47_1 N48_1 -170(3) . . . . ?
C45_1 C47_1 N48_1 C49_1 -176.1(16) . . . . ?
C45_1 C47_1 N48_1 Fe3_1 -1(3) . . . . ?
C47_1 N48_1 C49_1 C50_1 45(3) . . . . ?
Fe3_1 N48_1 C49_1 C50_1 -128.4(16) . . . . ?
C47_1 N48_1 C49_1 C54_1 -130(2) . . . . ?
Fe3_1 N48_1 C49_1 C54_1 56(3) . . . . ?
C54_1 C49_1 C50_1 C51_1 0.0 . . . . ?
N48_1 C49_1 C50_1 C51_1 -175.7(19) . . . . ?
C49_1 C50_1 C51_1 C52_1 0.0 . . . . ?
C50_1 C51_1 C52_1 C53_1 0.0 . . . . ?
C50_1 C51_1 C52_1 C55_1 179.4(13) . . . . ?
C51_1 C52_1 C53_1 C54_1 0.0 . . . . ?
C55_1 C52_1 C53_1 C54_1 -179.4(13) . . . . ?
C52_1 C53_1 C54_1 C49_1 0.0 . . . . ?
C50_1 C49_1 C54_1 C53_1 0.0 . . . . ?
N48_1 C49_1 C54_1 C53_1 176(2) . . . . ?
C35_1 N36_1 C55_1 N56_1 0.3(16) . . . . ?
C35_1 N36_1 C55_1 C52_1 -180.0(9) . . . . ?
C51_1 C52_1 C55_1 N36_1 169.0(13) . . . . ?
C53_1 C52_1 C55_1 N36_1 -11.6(16) . . . . ?
C51_1 C52_1 C55_1 N56_1 -11.2(15) . . . . ?
C53_1 C52_1 C55_1 N56_1 168.2(12) . . . . ?
N36_1 C55_1 N56_1 C15_1 -0.4(15) . . . . ?
C52_1 C55_1 N56_1 C15_1 179.9(8) . . . . ?
N16_1 C15_1 N56_1 C55_1 0.3(11) . . . . ?
C12_1 C15_1 N56_1 C55_1 -179.8(7) . . . . ?
C65_1 N61_1 C62_1 C63_1 0.0 . . . . ?
Fe2_1 N61_1 C62_1 C63_1 -168(2) . . . . ?
N61_1 C62_1 C63_1 N64_1 0.0 . . . . ?
C62_1 C63_1 N64_1 C66_1 -180.0(5) . . . . ?
C62_1 C63_1 N64_1 C65_1 0.0 . . . . ?
C66_1 N64_1 C65_1 C67_1 0.0(7) . . . . ?
C63_1 N64_1 C65_1 C67_1 -180.0(5) . . . . ?
C66_1 N64_1 C65_1 N61_1 180.0(4) . . . . ?
C63_1 N64_1 C65_1 N61_1 0.0 . . . . ?
C62_1 N61_1 C65_1 C67_1 180.0(5) . . . . ?
Fe2_1 N61_1 C65_1 C67_1 -8.5(15) . . . . ?
C62_1 N61_1 C65_1 N64_1 0.0 . . . . ?
Fe2_1 N61_1 C65_1 N64_1 171.6(15) . . . . ?
N64_1 C65_1 C67_1 N68_1 -177(3) . . . . ?
N61_1 C65_1 C67_1 N68_1 3(3) . . . . ?
C65_1 C67_1 N68_1 C69_1 -173.7(16) . . . . ?
C65_1 C67_1 N68_1 Fe2_1 4(3) . . . . ?
C67_1 N68_1 C69_1 C70_1 34(4) . . . . ?
Fe2_1 N68_1 C69_1 C70_1 -143.5(14) . . . . ?
C67_1 N68_1 C69_1 C74_1 -152(3) . . . . ?
Fe2_1 N68_1 C69_1 C74_1 30(3) . . . . ?
C74_1 C69_1 C70_1 C71_1 0.0 . . . . ?
N68_1 C69_1 C70_1 C71_1 173.7(19) . . . . ?
C69_1 C70_1 C71_1 C72_1 0.0 . . . . ?
C70_1 C71_1 C72_1 C73_1 0.0 . . . . ?
C70_1 C71_1 C72_1 C75_1 176.1(10) . . . . ?
C71_1 C72_1 C73_1 C74_1 0.0 . . . . ?
C75_1 C72_1 C73_1 C74_1 -176.2(10) . . . . ?
C72_1 C73_1 C74_1 C69_1 0.0 . . . . ?
C70_1 C69_1 C74_1 C73_1 0.0 . . . . ?
N68_1 C69_1 C74_1 C73_1 -173.8(19) . . . . ?
C73_1 C72_1 C75_1 N116_1 -177.5(10) . . . . ?
C71_1 C72_1 C75_1 N116_1 6.3(10) . . . . ?
C73_1 C72_1 C75_1 N76_1 2.4(9) . . . . ?
C71_1 C72_1 C75_1 N76_1 -173.8(9) . . . . ?
N116_1 C75_1 N76_1 C95_1 0.1(7) . . . . ?
C72_1 C75_1 N76_1 C95_1 -179.8(5) . . . . ?
C85_1 N81_1 C82_1 C83_1 0.0 . . . . ?
Fe3_1 N81_1 C82_1 C83_1 -170.8(19) . . . . ?
N81_1 C82_1 C83_1 N84_1 0.0 . . . . ?
C82_1 C83_1 N84_1 C86_1 -179.9(5) . . . . ?
C82_1 C83_1 N84_1 C85_1 0.0 . . . . ?
C86_1 N84_1 C85_1 C87_1 -0.1(7) . . . . ?
C83_1 N84_1 C85_1 C87_1 180.0(5) . . . . ?
C86_1 N84_1 C85_1 N81_1 180.0(4) . . . . ?
C83_1 N84_1 C85_1 N81_1 0.0 . . . . ?
C82_1 N81_1 C85_1 C87_1 -180.0(5) . . . . ?
Fe3_1 N81_1 C85_1 C87_1 -6.4(14) . . . . ?
C82_1 N81_1 C85_1 N84_1 0.0 . . . . ?
Fe3_1 N81_1 C85_1 N84_1 173.6(13) . . . . ?
N84_1 C85_1 C87_1 N88_1 -180(3) . . . . ?
N81_1 C85_1 C87_1 N88_1 0(3) . . . . ?
C85_1 C87_1 N88_1 C89_1 -169.7(17) . . . . ?
C85_1 C87_1 N88_1 Fe3_1 6(3) . . . . ?
C87_1 N88_1 C89_1 C90_1 33(3) . . . . ?
Fe3_1 N88_1 C89_1 C90_1 -141.5(15) . . . . ?
C87_1 N88_1 C89_1 C94_1 -151(2) . . . . ?
Fe3_1 N88_1 C89_1 C94_1 34(3) . . . . ?
C94_1 C89_1 C90_1 C91_1 0.0 . . . . ?
N88_1 C89_1 C90_1 C91_1 176(2) . . . . ?
C89_1 C90_1 C91_1 C92_1 0.0 . . . . ?
C90_1 C91_1 C92_1 C93_1 0.0 . . . . ?
C90_1 C91_1 C92_1 C95_1 177.2(12) . . . . ?
C91_1 C92_1 C93_1 C94_1 0.0 . . . . ?
C95_1 C92_1 C93_1 C94_1 -177.3(12) . . . . ?
C92_1 C93_1 C94_1 C89_1 0.0 . . . . ?
C90_1 C89_1 C94_1 C93_1 0.0 . . . . ?
N88_1 C89_1 C94_1 C93_1 -176(2) . . . . ?
C75_1 N76_1 C95_1 N96_1 -0.4(11) . . . . ?
C75_1 N76_1 C95_1 C92_1 -179.7(6) . . . . ?
C91_1 C92_1 C95_1 N76_1 4.9(14) . . . . ?
C93_1 C92_1 C95_1 N76_1 -177.9(10) . . . . ?
C91_1 C92_1 C95_1 N96_1 -174.5(11) . . . . ?
C93_1 C92_1 C95_1 N96_1 2.7(14) . . . . ?
N76_1 C95_1 N96_1 C115_1 0.5(14) . . . . ?
C92_1 C95_1 N96_1 C115_1 179.9(9) . . . . ?
C105_1 N101_1 C102_1 C103_1 0.0 . . . . ?
Fe4_1 N101_1 C102_1 C103_1 -176(2) . . . . ?
N101_1 C102_1 C103_1 N104_1 0.0 . . . . ?
C102_1 C103_1 N104_1 C106_1 -179.9(5) . . . . ?
C102_1 C103_1 N104_1 C105_1 0.0 . . . . ?
C106_1 N104_1 C105_1 C107_1 -0.1(7) . . . . ?
C103_1 N104_1 C105_1 C107_1 180.0(5) . . . . ?
C106_1 N104_1 C105_1 N101_1 179.9(5) . . . . ?
C103_1 N104_1 C105_1 N101_1 0.0 . . . . ?
C102_1 N101_1 C105_1 C107_1 -180.0(5) . . . . ?
Fe4_1 N101_1 C105_1 C107_1 -3.1(16) . . . . ?
C102_1 N101_1 C105_1 N104_1 0.0 . . . . ?
Fe4_1 N101_1 C105_1 N104_1 176.9(16) . . . . ?
N104_1 C105_1 C107_1 N108_1 178(3) . . . . ?
N101_1 C105_1 C107_1 N108_1 -2(3) . . . . ?
C105_1 C107_1 N108_1 C109_1 -173.3(18) . . . . ?
C105_1 C107_1 N108_1 Fe4_1 5(3) . . . . ?
C107_1 N108_1 C109_1 C110_1 -150(3) . . . . ?
Fe4_1 N108_1 C109_1 C110_1 32(3) . . . . ?
C107_1 N108_1 C109_1 C114_1 35(4) . . . . ?
Fe4_1 N108_1 C109_1 C114_1 -143.7(16) . . . . ?
C114_1 C109_1 C110_1 C111_1 0.0 . . . . ?
N108_1 C109_1 C110_1 C111_1 -175(2) . . . . ?
C109_1 C110_1 C111_1 C112_1 0.0 . . . . ?
C110_1 C111_1 C112_1 C113_1 0.0 . . . . ?
C110_1 C111_1 C112_1 C115_1 -179.2(12) . . . . ?
C111_1 C112_1 C113_1 C114_1 0.0 . . . . ?
C115_1 C112_1 C113_1 C114_1 179.2(12) . . . . ?
C112_1 C113_1 C114_1 C109_1 0.0 . . . . ?
C110_1 C109_1 C114_1 C113_1 0.0 . . . . ?
N108_1 C109_1 C114_1 C113_1 175(2) . . . . ?
C95_1 N96_1 C115_1 N116_1 -0.3(15) . . . . ?
C95_1 N96_1 C115_1 C112_1 -179.9(9) . . . . ?
C113_1 C112_1 C115_1 N116_1 -175.6(12) . . . . ?
C111_1 C112_1 C115_1 N116_1 3.6(14) . . . . ?
C113_1 C112_1 C115_1 N96_1 4.0(15) . . . . ?
C111_1 C112_1 C115_1 N96_1 -176.8(11) . . . . ?
N96_1 C115_1 N116_1 C75_1 0.1(15) . . . . ?
C112_1 C115_1 N116_1 C75_1 179.7(8) . . . . ?
N76_1 C75_1 N116_1 C115_1 0.1(11) . . . . ?
C72_1 C75_1 N116_1 C115_1 180.0(6) . . . . ?
C125_1 N121_1 C122_1 C123_1 0.0 . . . . ?
Fe3_1 N121_1 C122_1 C123_1 -175(2) . . . . ?
N121_1 C122_1 C123_1 N124_1 0.0 . . . . ?
C122_1 C123_1 N124_1 C126_1 179.9(5) . . . . ?
C122_1 C123_1 N124_1 C125_1 0.0 . . . . ?
C122_1 N121_1 C125_1 C127_1 179.9(5) . . . . ?
Fe3_1 N121_1 C125_1 C127_1 -3.3(15) . . . . ?
C122_1 N121_1 C125_1 N124_1 0.0 . . . . ?
Fe3_1 N121_1 C125_1 N124_1 176.8(14) . . . . ?
C126_1 N124_1 C125_1 C127_1 0.1(7) . . . . ?
C123_1 N124_1 C125_1 C127_1 -179.9(5) . . . . ?
C126_1 N124_1 C125_1 N121_1 -179.9(5) . . . . ?
C123_1 N124_1 C125_1 N121_1 0.0 . . . . ?
N121_1 C125_1 C127_1 N128_1 1(3) . . . . ?
N124_1 C125_1 C127_1 N128_1 -179(3) . . . . ?
C125_1 C127_1 N128_1 C129_1 -166.6(17) . . . . ?
C125_1 C127_1 N128_1 Fe3_1 2(3) . . . . ?
C127_1 N128_1 C129_1 C130_1 -145(2) . . . . ?
Fe3_1 N128_1 C129_1 C130_1 47(3) . . . . ?
C127_1 N128_1 C129_1 C134_1 41(3) . . . . ?
Fe3_1 N128_1 C129_1 C134_1 -125.8(16) . . . . ?
C134_1 C129_1 C130_1 C131_1 0.0 . . . . ?
N128_1 C129_1 C130_1 C131_1 -173.3(19) . . . . ?
C129_1 C130_1 C131_1 C132_1 0.0 . . . . ?
C130_1 C131_1 C132_1 C133_1 0.0 . . . . ?
C130_1 C131_1 C132_1 C135_1 171.8(10) . . . . ?
C131_1 C132_1 C133_1 C134_1 0.0 . . . . ?
C135_1 C132_1 C133_1 C134_1 -171.9(10) . . . . ?
C132_1 C133_1 C134_1 C129_1 0.0 . . . . ?
C130_1 C129_1 C134_1 C133_1 0.0 . . . . ?
N128_1 C129_1 C134_1 C133_1 173.2(19) . . . . ?
C133_1 C132_1 C135_1 N136_1 170.2(9) . . . . ?
C131_1 C132_1 C135_1 N136_1 -1.6(10) . . . . ?
C133_1 C132_1 C135_1 N176_1 -9.9(10) . . . . ?
C131_1 C132_1 C135_1 N176_1 178.3(11) . . . . ?
N176_1 C135_1 N136_1 C155_1 0.0(7) . . . . ?
C132_1 C135_1 N136_1 C155_1 179.9(5) . . . . ?
C145_1 N141_1 C142_1 C143_1 0.0 . . . . ?
Fe1_1 N141_1 C142_1 C143_1 -165.9(18) . . . . ?
N141_1 C142_1 C143_1 N144_1 0.0 . . . . ?
C142_1 C143_1 N144_1 C146_1 180.0(5) . . . . ?
C142_1 C143_1 N144_1 C145_1 0.0 . . . . ?
C142_1 N141_1 C145_1 C147_1 180.0(5) . . . . ?
Fe1_1 N141_1 C145_1 C147_1 -9.6(13) . . . . ?
C142_1 N141_1 C145_1 N144_1 0.0 . . . . ?
Fe1_1 N141_1 C145_1 N144_1 170.4(13) . . . . ?
C146_1 N144_1 C145_1 C147_1 0.0(7) . . . . ?
C143_1 N144_1 C145_1 C147_1 180.0(5) . . . . ?
C146_1 N144_1 C145_1 N141_1 -180.0(5) . . . . ?
C143_1 N144_1 C145_1 N141_1 0.0 . . . . ?
N141_1 C145_1 C147_1 N148_1 3(3) . . . . ?
N144_1 C145_1 C147_1 N148_1 -177(3) . . . . ?
C145_1 C147_1 N148_1 C149_1 -171.2(16) . . . . ?
C145_1 C147_1 N148_1 Fe1_1 5(3) . . . . ?
C147_1 N148_1 C149_1 C150_1 42(3) . . . . ?
Fe1_1 N148_1 C149_1 C150_1 -134.4(16) . . . . ?
C147_1 N148_1 C149_1 C154_1 -141(2) . . . . ?
Fe1_1 N148_1 C149_1 C154_1 43(3) . . . . ?
C154_1 C149_1 C150_1 C151_1 0.0 . . . . ?
N148_1 C149_1 C150_1 C151_1 177(2) . . . . ?
C149_1 C150_1 C151_1 C152_1 0.0 . . . . ?
C150_1 C151_1 C152_1 C153_1 0.0 . . . . ?
C150_1 C151_1 C152_1 C155_1 178.8(12) . . . . ?
C151_1 C152_1 C153_1 C154_1 0.0 . . . . ?
C155_1 C152_1 C153_1 C154_1 -178.8(12) . . . . ?
C152_1 C153_1 C154_1 C149_1 0.0 . . . . ?
C150_1 C149_1 C154_1 C153_1 0.0 . . . . ?
N148_1 C149_1 C154_1 C153_1 -177(2) . . . . ?
C135_1 N136_1 C155_1 N156_1 0.1(11) . . . . ?
C135_1 N136_1 C155_1 C152_1 179.7(6) . . . . ?
C151_1 C152_1 C155_1 N156_1 172.9(12) . . . . ?
C153_1 C152_1 C155_1 N156_1 -8.2(15) . . . . ?
C151_1 C152_1 C155_1 N136_1 -6.7(15) . . . . ?
C153_1 C152_1 C155_1 N136_1 172.1(10) . . . . ?
N136_1 C155_1 N156_1 C175_1 0.0(15) . . . . ?
C152_1 C155_1 N156_1 C175_1 -179.6(9) . . . . ?
C165_1 N161_1 C162_1 C163_1 0.0 . . . . ?
Fe4_1 N161_1 C162_1 C163_1 -160(2) . . . . ?
N161_1 C162_1 C163_1 N164_1 0.0 . . . . ?
C162_1 C163_1 N164_1 C166_1 -180.0(5) . . . . ?
C162_1 C163_1 N164_1 C165_1 0.0 . . . . ?
C162_1 N161_1 C165_1 C167_1 180.0(5) . . . . ?
Fe4_1 N161_1 C165_1 C167_1 -13.4(13) . . . . ?
C162_1 N161_1 C165_1 N164_1 0.0 . . . . ?
Fe4_1 N161_1 C165_1 N164_1 166.7(13) . . . . ?
C166_1 N164_1 C165_1 C167_1 0.0(7) . . . . ?
C163_1 N164_1 C165_1 C167_1 -180.0(5) . . . . ?
C166_1 N164_1 C165_1 N161_1 180.0(4) . . . . ?
C163_1 N164_1 C165_1 N161_1 0.0 . . . . ?
N161_1 C165_1 C167_1 N168_1 5(3) . . . . ?
N164_1 C165_1 C167_1 N168_1 -175(3) . . . . ?
C165_1 C167_1 N168_1 C169_1 -176.5(16) . . . . ?
C165_1 C167_1 N168_1 Fe4_1 6(3) . . . . ?
C167_1 N168_1 C169_1 C170_1 53(3) . . . . ?
Fe4_1 N168_1 C169_1 C170_1 -130.1(16) . . . . ?
C167_1 N168_1 C169_1 C174_1 -123(2) . . . . ?
Fe4_1 N168_1 C169_1 C174_1 54(3) . . . . ?
C174_1 C169_1 C170_1 C171_1 0.0 . . . . ?
N168_1 C169_1 C170_1 C171_1 -176.1(19) . . . . ?
C169_1 C170_1 C171_1 C172_1 0.0 . . . . ?
C170_1 C171_1 C172_1 C173_1 0.0 . . . . ?
C170_1 C171_1 C172_1 C175_1 179.3(13) . . . . ?
C171_1 C172_1 C173_1 C174_1 0.0 . . . . ?
C175_1 C172_1 C173_1 C174_1 -179.3(13) . . . . ?
C172_1 C173_1 C174_1 C169_1 0.0 . . . . ?
C170_1 C169_1 C174_1 C173_1 0.0 . . . . ?
N168_1 C169_1 C174_1 C173_1 176(2) . . . . ?
C155_1 N156_1 C175_1 N176_1 -0.3(16) . . . . ?
C155_1 N156_1 C175_1 C172_1 179.9(9) . . . . ?
C173_1 C172_1 C175_1 N156_1 166.2(12) . . . . ?
C171_1 C172_1 C175_1 N156_1 -13.2(15) . . . . ?
C173_1 C172_1 C175_1 N176_1 -13.6(15) . . . . ?
C171_1 C172_1 C175_1 N176_1 167.1(12) . . . . ?
N156_1 C175_1 N176_1 C135_1 0.5(15) . . . . ?
C172_1 C175_1 N176_1 C135_1 -179.8(8) . . . . ?
N136_1 C135_1 N176_1 C175_1 -0.3(11) . . . . ?
C132_1 C135_1 N176_1 C175_1 179.8(6) . . . . ?
C185_1 N181_1 C182_1 C183_1 0.0 . . . . ?
Fe4_1 N181_1 C182_1 C183_1 -177.1(18) . . . . ?
N181_1 C182_1 C183_1 N184_1 0.0 . . . . ?
C182_1 C183_1 N184_1 C186_1 179.9(5) . . . . ?
C182_1 C183_1 N184_1 C185_1 0.0 . . . . ?
C182_1 N181_1 C185_1 C187_1 179.8(5) . . . . ?
Fe4_1 N181_1 C185_1 C187_1 -2.1(13) . . . . ?
C182_1 N181_1 C185_1 N184_1 0.0 . . . . ?
Fe4_1 N181_1 C185_1 N184_1 178.0(13) . . . . ?
C186_1 N184_1 C185_1 C187_1 0.3(7) . . . . ?
C183_1 N184_1 C185_1 C187_1 -179.8(5) . . . . ?
C186_1 N184_1 C185_1 N181_1 -179.9(5) . . . . ?
C183_1 N184_1 C185_1 N181_1 0.0 . . . . ?
N181_1 C185_1 C187_1 N188_1 2(3) . . . . ?
N184_1 C185_1 C187_1 N188_1 -178(3) . . . . ?
C185_1 C187_1 N188_1 C189_1 -165.1(16) . . . . ?
C185_1 C187_1 N188_1 Fe4_1 -1(3) . . . . ?
C187_1 N188_1 C189_1 C190_1 -146(2) . . . . ?
Fe4_1 N188_1 C189_1 C190_1 53(2) . . . . ?
C187_1 N188_1 C189_1 C194_1 38(3) . . . . ?
Fe4_1 N188_1 C189_1 C194_1 -123.7(15) . . . . ?
C194_1 C189_1 C190_1 C191_1 0.0 . . . . ?
N188_1 C189_1 C190_1 C191_1 -176.4(19) . . . . ?
C189_1 C190_1 C191_1 C192_1 0.0 . . . . ?
C190_1 C191_1 C192_1 C193_1 0.0 . . . . ?
C190_1 C191_1 C192_1 C195_1 170.6(10) . . . . ?
C191_1 C192_1 C193_1 C194_1 0.0 . . . . ?
C195_1 C192_1 C193_1 C194_1 -170.7(10) . . . . ?
C192_1 C193_1 C194_1 C189_1 0.0 . . . . ?
C190_1 C189_1 C194_1 C193_1 0.0 . . . . ?
N188_1 C189_1 C194_1 C193_1 176(2) . . . . ?
C191_1 C192_1 C195_1 N236_1 176.4(11) . . . . ?
C193_1 C192_1 C195_1 N236_1 -12.9(11) . . . . ?
C191_1 C192_1 C195_1 N196_1 -3.4(10) . . . . ?
C193_1 C192_1 C195_1 N196_1 167.3(10) . . . . ?
N236_1 C195_1 N196_1 C215_1 0.2(7) . . . . ?
C192_1 C195_1 N196_1 C215_1 179.9(5) . . . . ?
C205_1 N201_1 C202_1 C203_1 0.0 . . . . ?
Fe1_1 N201_1 C202_1 C203_1 -168.5(17) . . . . ?
N201_1 C202_1 C203_1 N204_1 0.0 . . . . ?
C202_1 C203_1 N204_1 C206_1 179.9(5) . . . . ?
C202_1 C203_1 N204_1 C205_1 0.0 . . . . ?
C206_1 N204_1 C205_1 C207_1 0.3(7) . . . . ?
C203_1 N204_1 C205_1 C207_1 -179.8(5) . . . . ?
C206_1 N204_1 C205_1 N201_1 -179.9(4) . . . . ?
C203_1 N204_1 C205_1 N201_1 0.0 . . . . ?
C202_1 N201_1 C205_1 C207_1 179.8(5) . . . . ?
Fe1_1 N201_1 C205_1 C207_1 -7.9(12) . . . . ?
C202_1 N201_1 C205_1 N204_1 0.0 . . . . ?
Fe1_1 N201_1 C205_1 N204_1 172.3(12) . . . . ?
N204_1 C205_1 C207_1 N208_1 -177(2) . . . . ?
N201_1 C205_1 C207_1 N208_1 3(3) . . . . ?
C205_1 C207_1 N208_1 C209_1 -170.2(16) . . . . ?
C205_1 C207_1 N208_1 Fe1_1 3(3) . . . . ?
C207_1 N208_1 C209_1 C210_1 40(3) . . . . ?
Fe1_1 N208_1 C209_1 C210_1 -132.6(15) . . . . ?
C207_1 N208_1 C209_1 C214_1 -141(2) . . . . ?
Fe1_1 N208_1 C209_1 C214_1 47(3) . . . . ?
C214_1 C209_1 C210_1 C211_1 0.0 . . . . ?
N208_1 C209_1 C210_1 C211_1 179(2) . . . . ?
C209_1 C210_1 C211_1 C212_1 0.0 . . . . ?
C210_1 C211_1 C212_1 C213_1 0.0 . . . . ?
C210_1 C211_1 C212_1 C215_1 178.2(13) . . . . ?
C211_1 C212_1 C213_1 C214_1 0.0 . . . . ?
C215_1 C212_1 C213_1 C214_1 -178.2(12) . . . . ?
C212_1 C213_1 C214_1 C209_1 0.0 . . . . ?
C210_1 C209_1 C214_1 C213_1 0.0 . . . . ?
N208_1 C209_1 C214_1 C213_1 -179(2) . . . . ?
C195_1 N196_1 C215_1 N216_1 -0.1(12) . . . . ?
C195_1 N196_1 C215_1 C212_1 179.6(6) . . . . ?
C211_1 C212_1 C215_1 N196_1 -7.7(14) . . . . ?
C213_1 C212_1 C215_1 N196_1 170.5(10) . . . . ?
C211_1 C212_1 C215_1 N216_1 172.0(12) . . . . ?
C213_1 C212_1 C215_1 N216_1 -9.8(14) . . . . ?
N196_1 C215_1 N216_1 C235_1 0.3(15) . . . . ?
C212_1 C215_1 N216_1 C235_1 -179.5(9) . . . . ?
C225_1 N221_1 C222_1 C223_1 0.0 . . . . ?
Fe2_1 N221_1 C222_1 C223_1 -162(2) . . . . ?
N221_1 C222_1 C223_1 N224_1 0.0 . . . . ?
C222_1 C223_1 N224_1 C226_1 179.9(5) . . . . ?
C222_1 C223_1 N224_1 C225_1 0.0 . . . . ?
C226_1 N224_1 C225_1 C227_1 0.1(7) . . . . ?
C223_1 N224_1 C225_1 C227_1 -180.0(5) . . . . ?
C226_1 N224_1 C225_1 N221_1 -179.9(5) . . . . ?
C223_1 N224_1 C225_1 N221_1 0.0 . . . . ?
C222_1 N221_1 C225_1 C227_1 180.0(5) . . . . ?
Fe2_1 N221_1 C225_1 C227_1 -11.8(16) . . . . ?
C222_1 N221_1 C225_1 N224_1 0.0 . . . . ?
Fe2_1 N221_1 C225_1 N224_1 168.3(16) . . . . ?
N224_1 C225_1 C227_1 N228_1 -175(3) . . . . ?
N221_1 C225_1 C227_1 N228_1 5(3) . . . . ?
C225_1 C227_1 N228_1 C229_1 -174.5(17) . . . . ?
C225_1 C227_1 N228_1 Fe2_1 5(4) . . . . ?
C227_1 N228_1 C229_1 C230_1 50(3) . . . . ?
Fe2_1 N228_1 C229_1 C230_1 -129.3(17) . . . . ?
C227_1 N228_1 C229_1 C234_1 -126(3) . . . . ?
Fe2_1 N228_1 C229_1 C234_1 54(3) . . . . ?
C234_1 C229_1 C230_1 C231_1 0.0 . . . . ?
N228_1 C229_1 C230_1 C231_1 -176.4(19) . . . . ?
C229_1 C230_1 C231_1 C232_1 0.0 . . . . ?
C230_1 C231_1 C232_1 C233_1 0.0 . . . . ?
C230_1 C231_1 C232_1 C235_1 178.4(12) . . . . ?
C231_1 C232_1 C233_1 C234_1 0.0 . . . . ?
C235_1 C232_1 C233_1 C234_1 -178.4(12) . . . . ?
C232_1 C233_1 C234_1 C229_1 0.0 . . . . ?
C230_1 C229_1 C234_1 C233_1 0.0 . . . . ?
N228_1 C229_1 C234_1 C233_1 176.3(19) . . . . ?
C215_1 N216_1 C235_1 N236_1 -0.5(16) . . . . ?
C215_1 N216_1 C235_1 C232_1 179.4(9) . . . . ?
C233_1 C232_1 C235_1 N216_1 168.8(12) . . . . ?
C231_1 C232_1 C235_1 N216_1 -9.6(14) . . . . ?
C233_1 C232_1 C235_1 N236_1 -11.2(15) . . . . ?
C231_1 C232_1 C235_1 N236_1 170.3(11) . . . . ?
N196_1 C195_1 N236_1 C235_1 -0.4(11) . . . . ?
C192_1 C195_1 N236_1 C235_1 179.9(7) . . . . ?
N216_1 C235_1 N236_1 C195_1 0.6(15) . . . . ?
C232_1 C235_1 N236_1 C195_1 -179.4(8) . . . . ?
C5_2 N1_2 C2_2 C3_2 0.0 . . . . ?
Fe1_2 N1_2 C2_2 C3_2 -169(2) . . . . ?
N1_2 C2_2 C3_2 N4_2 0.0 . . . . ?
C2_2 C3_2 N4_2 C6_2 -179.9(5) . . . . ?
C2_2 C3_2 N4_2 C5_2 0.0 . . . . ?
C2_2 N1_2 C5_2 C7_2 180.0(5) . . . . ?
Fe1_2 N1_2 C5_2 C7_2 -7.3(15) . . . . ?
C2_2 N1_2 C5_2 N4_2 0.0 . . . . ?
Fe1_2 N1_2 C5_2 N4_2 172.7(15) . . . . ?
C6_2 N4_2 C5_2 C7_2 -0.1(7) . . . . ?
C3_2 N4_2 C5_2 C7_2 -180.0(5) . . . . ?
C6_2 N4_2 C5_2 N1_2 179.9(4) . . . . ?
C3_2 N4_2 C5_2 N1_2 0.0 . . . . ?
N1_2 C5_2 C7_2 N8_2 0(3) . . . . ?
N4_2 C5_2 C7_2 N8_2 -180(3) . . . . ?
C5_2 C7_2 N8_2 C9_2 -172.7(18) . . . . ?
C5_2 C7_2 N8_2 Fe1_2 6(3) . . . . ?
C7_2 N8_2 C9_2 C10_2 34(4) . . . . ?
Fe1_2 N8_2 C9_2 C10_2 -145.0(17) . . . . ?
C7_2 N8_2 C9_2 C14_2 -153(3) . . . . ?
Fe1_2 N8_2 C9_2 C14_2 28(3) . . . . ?
C14_2 C9_2 C10_2 C11_2 0.0 . . . . ?
N8_2 C9_2 C10_2 C11_2 173(2) . . . . ?
C9_2 C10_2 C11_2 C12_2 0.0 . . . . ?
C10_2 C11_2 C12_2 C13_2 0.0 . . . . ?
C10_2 C11_2 C12_2 C15_2 176.7(10) . . . . ?
C11_2 C12_2 C13_2 C14_2 0.0 . . . . ?
C15_2 C12_2 C13_2 C14_2 -176.8(10) . . . . ?
C12_2 C13_2 C14_2 C9_2 0.0 . . . . ?
C10_2 C9_2 C14_2 C13_2 0.0 . . . . ?
N8_2 C9_2 C14_2 C13_2 -173(2) . . . . ?
C13_2 C12_2 C15_2 N16_2 -175.5(10) . . . . ?
C11_2 C12_2 C15_2 N16_2 7.8(10) . . . . ?
C13_2 C12_2 C15_2 N56_2 4.4(11) . . . . ?
C11_2 C12_2 C15_2 N56_2 -172.4(11) . . . . ?
N56_2 C15_2 N16_2 C35_2 0.1(7) . . . . ?
C12_2 C15_2 N16_2 C35_2 179.9(4) . . . . ?
C25_2 N21_2 C22_2 C23_2 0.0 . . . . ?
Fe2_2 N21_2 C22_2 C23_2 -167.6(19) . . . . ?
N21_2 C22_2 C23_2 N24_2 0.0 . . . . ?
C22_2 C23_2 N24_2 C26_2 179.9(5) . . . . ?
C22_2 C23_2 N24_2 C25_2 0.0 . . . . ?
C26_2 N24_2 C25_2 C27_2 0.1(7) . . . . ?
C23_2 N24_2 C25_2 C27_2 180.0(5) . . . . ?
C26_2 N24_2 C25_2 N21_2 -179.9(5) . . . . ?
C23_2 N24_2 C25_2 N21_2 0.0 . . . . ?
C22_2 N21_2 C25_2 C27_2 -180.0(5) . . . . ?
Fe2_2 N21_2 C25_2 C27_2 -8.8(14) . . . . ?
C22_2 N21_2 C25_2 N24_2 0.0 . . . . ?
Fe2_2 N21_2 C25_2 N24_2 171.2(14) . . . . ?
N24_2 C25_2 C27_2 N28_2 -173(3) . . . . ?
N21_2 C25_2 C27_2 N28_2 7(3) . . . . ?
C25_2 C27_2 N28_2 C29_2 -171.8(18) . . . . ?
C25_2 C27_2 N28_2 Fe2_2 -1(3) . . . . ?
C27_2 N28_2 C29_2 C30_2 -156(3) . . . . ?
Fe2_2 N28_2 C29_2 C30_2 35(3) . . . . ?
C27_2 N28_2 C29_2 C34_2 27(4) . . . . ?
Fe2_2 N28_2 C29_2 C34_2 -141.7(15) . . . . ?
C34_2 C29_2 C30_2 C31_2 0.0 . . . . ?
N28_2 C29_2 C30_2 C31_2 -177(2) . . . . ?
C29_2 C30_2 C31_2 C32_2 0.0 . . . . ?
C30_2 C31_2 C32_2 C33_2 0.0 . . . . ?
C30_2 C31_2 C32_2 C35_2 -177.3(13) . . . . ?
C31_2 C32_2 C33_2 C34_2 0.0 . . . . ?
C35_2 C32_2 C33_2 C34_2 177.2(13) . . . . ?
C32_2 C33_2 C34_2 C29_2 0.0 . . . . ?
C30_2 C29_2 C34_2 C33_2 0.0 . . . . ?
N28_2 C29_2 C34_2 C33_2 177(2) . . . . ?
C15_2 N16_2 C35_2 N36_2 0.1(11) . . . . ?
C15_2 N16_2 C35_2 C32_2 179.9(6) . . . . ?
C31_2 C32_2 C35_2 N36_2 -178.4(12) . . . . ?
C33_2 C32_2 C35_2 N36_2 4.3(15) . . . . ?
C31_2 C32_2 C35_2 N16_2 1.8(14) . . . . ?
C33_2 C32_2 C35_2 N16_2 -175.4(11) . . . . ?
N16_2 C35_2 N36_2 C55_2 -0.2(15) . . . . ?
C32_2 C35_2 N36_2 C55_2 -179.9(9) . . . . ?
C45_2 N41_2 C42_2 C43_2 0.0 . . . . ?
Fe3_2 N41_2 C42_2 C43_2 -168(2) . . . . ?
N41_2 C42_2 C43_2 N44_2 0.0 . . . . ?
C42_2 C43_2 N44_2 C46_2 -180.0(5) . . . . ?
C42_2 C43_2 N44_2 C45_2 0.0 . . . . ?
C46_2 N44_2 C45_2 C47_2 0.1(7) . . . . ?
C43_2 N44_2 C45_2 C47_2 -179.9(5) . . . . ?
C46_2 N44_2 C45_2 N41_2 180.0(4) . . . . ?
C43_2 N44_2 C45_2 N41_2 0.0 . . . . ?
C42_2 N41_2 C45_2 C47_2 179.9(5) . . . . ?
Fe3_2 N41_2 C45_2 C47_2 -8.3(15) . . . . ?
C42_2 N41_2 C45_2 N44_2 0.0 . . . . ?
Fe3_2 N41_2 C45_2 N44_2 171.8(15) . . . . ?
N44_2 C45_2 C47_2 N48_2 179(3) . . . . ?
N41_2 C45_2 C47_2 N48_2 -1(3) . . . . ?
C45_2 C47_2 N48_2 C49_2 -173.3(17) . . . . ?
C45_2 C47_2 N48_2 Fe3_2 9(3) . . . . ?
C47_2 N48_2 C49_2 C50_2 39(4) . . . . ?
Fe3_2 N48_2 C49_2 C50_2 -144.5(16) . . . . ?
C47_2 N48_2 C49_2 C54_2 -147(3) . . . . ?
Fe3_2 N48_2 C49_2 C54_2 30(3) . . . . ?
C54_2 C49_2 C50_2 C51_2 0.0 . . . . ?
N48_2 C49_2 C50_2 C51_2 174(2) . . . . ?
C49_2 C50_2 C51_2 C52_2 0.0 . . . . ?
C50_2 C51_2 C52_2 C53_2 0.0 . . . . ?
C50_2 C51_2 C52_2 C55_2 179.2(12) . . . . ?
C51_2 C52_2 C53_2 C54_2 0.0 . . . . ?
C55_2 C52_2 C53_2 C54_2 -179.3(12) . . . . ?
C52_2 C53_2 C54_2 C49_2 0.0 . . . . ?
C50_2 C49_2 C54_2 C53_2 0.0 . . . . ?
N48_2 C49_2 C54_2 C53_2 -174(2) . . . . ?
C35_2 N36_2 C55_2 N56_2 0.0(16) . . . . ?
C35_2 N36_2 C55_2 C52_2 179.9(9) . . . . ?
C51_2 C52_2 C55_2 N36_2 -175.9(12) . . . . ?
C53_2 C52_2 C55_2 N36_2 3.3(15) . . . . ?
C51_2 C52_2 C55_2 N56_2 4.0(15) . . . . ?
C53_2 C52_2 C55_2 N56_2 -176.8(11) . . . . ?
N36_2 C55_2 N56_2 C15_2 0.2(15) . . . . ?
C52_2 C55_2 N56_2 C15_2 -179.7(8) . . . . ?
N16_2 C15_2 N56_2 C55_2 -0.2(11) . . . . ?
C12_2 C15_2 N56_2 C55_2 179.9(6) . . . . ?
C65_2 N61_2 C62_2 C63_2 0.0 . . . . ?
Fe2_2 N61_2 C62_2 C63_2 -158.4(19) . . . . ?
N61_2 C62_2 C63_2 N64_2 0.0 . . . . ?
C62_2 C63_2 N64_2 C66_2 -180.0(5) . . . . ?
C62_2 C63_2 N64_2 C65_2 0.0 . . . . ?
C62_2 N61_2 C65_2 C67_2 179.9(5) . . . . ?
Fe2_2 N61_2 C65_2 C67_2 -14.7(14) . . . . ?
C62_2 N61_2 C65_2 N64_2 0.0 . . . . ?
Fe2_2 N61_2 C65_2 N64_2 165.4(13) . . . . ?
C66_2 N64_2 C65_2 C67_2 0.1(7) . . . . ?
C63_2 N64_2 C65_2 C67_2 -180(100) . . . . ?
C66_2 N64_2 C65_2 N61_2 180.0(5) . . . . ?
C63_2 N64_2 C65_2 N61_2 0.0 . . . . ?
N61_2 C65_2 C67_2 N68_2 8(3) . . . . ?
N64_2 C65_2 C67_2 N68_2 -172(3) . . . . ?
C65_2 C67_2 N68_2 C69_2 -176.5(15) . . . . ?
C65_2 C67_2 N68_2 Fe2_2 3(3) . . . . ?
C67_2 N68_2 C69_2 C70_2 51(3) . . . . ?
Fe2_2 N68_2 C69_2 C70_2 -128.6(16) . . . . ?
C67_2 N68_2 C69_2 C74_2 -126(2) . . . . ?
Fe2_2 N68_2 C69_2 C74_2 55(3) . . . . ?
C74_2 C69_2 C70_2 C71_2 0.0 . . . . ?
N68_2 C69_2 C70_2 C71_2 -176.5(19) . . . . ?
C69_2 C70_2 C71_2 C72_2 0.0 . . . . ?
C70_2 C71_2 C72_2 C73_2 0.0 . . . . ?
C70_2 C71_2 C72_2 C75_2 177.7(11) . . . . ?
C71_2 C72_2 C73_2 C74_2 0.0 . . . . ?
C75_2 C72_2 C73_2 C74_2 -177.7(11) . . . . ?
C72_2 C73_2 C74_2 C69_2 0.0 . . . . ?
C70_2 C69_2 C74_2 C73_2 0.0 . . . . ?
N68_2 C69_2 C74_2 C73_2 176(2) . . . . ?
C71_2 C72_2 C75_2 N76_2 168.1(10) . . . . ?
C73_2 C72_2 C75_2 N76_2 -14.2(11) . . . . ?
C71_2 C72_2 C75_2 N116_2 -11.8(11) . . . . ?
C73_2 C72_2 C75_2 N116_2 165.8(12) . . . . ?
N116_2 C75_2 N76_2 C95_2 -0.1(7) . . . . ?
C72_2 C75_2 N76_2 C95_2 179.9(5) . . . . ?
C85_2 N81_2 C82_2 C83_2 0.0 . . . . ?
Fe3_2 N81_2 C82_2 C83_2 -179.2(18) . . . . ?
N81_2 C82_2 C83_2 N84_2 0.0 . . . . ?
C82_2 C83_2 N84_2 C86_2 179.9(5) . . . . ?
C82_2 C83_2 N84_2 C85_2 0.0 . . . . ?
C86_2 N84_2 C85_2 C87_2 0.2(7) . . . . ?
C83_2 N84_2 C85_2 C87_2 -179.9(5) . . . . ?
C86_2 N84_2 C85_2 N81_2 -179.9(4) . . . . ?
C83_2 N84_2 C85_2 N81_2 0.0 . . . . ?
C82_2 N81_2 C85_2 C87_2 179.9(5) . . . . ?
Fe3_2 N81_2 C85_2 C87_2 -0.7(12) . . . . ?
C82_2 N81_2 C85_2 N84_2 0.0 . . . . ?
Fe3_2 N81_2 C85_2 N84_2 179.4(12) . . . . ?
N84_2 C85_2 C87_2 N88_2 179(3) . . . . ?
N81_2 C85_2 C87_2 N88_2 -1(3) . . . . ?
C85_2 C87_2 N88_2 C89_2 -167.6(16) . . . . ?
C85_2 C87_2 N88_2 Fe3_2 2(3) . . . . ?
C87_2 N88_2 C89_2 C90_2 42(3) . . . . ?
Fe3_2 N88_2 C89_2 C90_2 -125.4(16) . . . . ?
C87_2 N88_2 C89_2 C94_2 -143(2) . . . . ?
Fe3_2 N88_2 C89_2 C94_2 49(3) . . . . ?
C94_2 C89_2 C90_2 C91_2 0.0 . . . . ?
N88_2 C89_2 C90_2 C91_2 175(2) . . . . ?
C89_2 C90_2 C91_2 C92_2 0.0 . . . . ?
C90_2 C91_2 C92_2 C93_2 0.0 . . . . ?
C90_2 C91_2 C92_2 C95_2 -170.5(12) . . . . ?
C91_2 C92_2 C93_2 C94_2 0.0 . . . . ?
C95_2 C92_2 C93_2 C94_2 170.4(12) . . . . ?
C92_2 C93_2 C94_2 C89_2 0.0 . . . . ?
C90_2 C89_2 C94_2 C93_2 0.0 . . . . ?
N88_2 C89_2 C94_2 C93_2 -175(2) . . . . ?
C75_2 N76_2 C95_2 N96_2 -0.2(12) . . . . ?
C75_2 N76_2 C95_2 C92_2 179.7(6) . . . . ?
C91_2 C92_2 C95_2 N96_2 167.8(12) . . . . ?
C93_2 C92_2 C95_2 N96_2 -2.7(15) . . . . ?
C91_2 C92_2 C95_2 N76_2 -12.1(14) . . . . ?
C93_2 C92_2 C95_2 N76_2 177.4(11) . . . . ?
N76_2 C95_2 N96_2 C115_2 0.6(15) . . . . ?
C92_2 C95_2 N96_2 C115_2 -179.3(9) . . . . ?
C105_2 N101_2 C102_2 C103_2 0.0 . . . . ?
Fe4_2 N101_2 C102_2 C103_2 -164.5(19) . . . . ?
N101_2 C102_2 C103_2 N104_2 0.0 . . . . ?
C102_2 C103_2 N104_2 C106_2 179.9(5) . . . . ?
C102_2 C103_2 N104_2 C105_2 0.0 . . . . ?
C102_2 N101_2 C105_2 C107_2 180.0(5) . . . . ?
Fe4_2 N101_2 C105_2 C107_2 -10.6(14) . . . . ?
C102_2 N101_2 C105_2 N104_2 0.0 . . . . ?
Fe4_2 N101_2 C105_2 N104_2 169.4(13) . . . . ?
C106_2 N104_2 C105_2 C107_2 0.1(7) . . . . ?
C103_2 N104_2 C105_2 C107_2 -180.0(5) . . . . ?
C106_2 N104_2 C105_2 N101_2 -179.9(5) . . . . ?
C103_2 N104_2 C105_2 N101_2 0.0 . . . . ?
N101_2 C105_2 C107_2 N108_2 7(3) . . . . ?
N104_2 C105_2 C107_2 N108_2 -173(3) . . . . ?
C105_2 C107_2 N108_2 C109_2 -170.2(17) . . . . ?
C105_2 C107_2 N108_2 Fe4_2 1(3) . . . . ?
C107_2 N108_2 C109_2 C110_2 -144(3) . . . . ?
Fe4_2 N108_2 C109_2 C110_2 47(3) . . . . ?
C107_2 N108_2 C109_2 C114_2 36(4) . . . . ?
Fe4_2 N108_2 C109_2 C114_2 -133.3(16) . . . . ?
C114_2 C109_2 C110_2 C111_2 0.0 . . . . ?
N108_2 C109_2 C110_2 C111_2 180(2) . . . . ?
C109_2 C110_2 C111_2 C112_2 0.0 . . . . ?
C110_2 C111_2 C112_2 C113_2 0.0 . . . . ?
C110_2 C111_2 C112_2 C115_2 -179.3(12) . . . . ?
C111_2 C112_2 C113_2 C114_2 0.0 . . . . ?
C115_2 C112_2 C113_2 C114_2 179.3(13) . . . . ?
C112_2 C113_2 C114_2 C109_2 0.0 . . . . ?
C110_2 C109_2 C114_2 C113_2 0.0 . . . . ?
N108_2 C109_2 C114_2 C113_2 -180(2) . . . . ?
C95_2 N96_2 C115_2 N116_2 -0.8(16) . . . . ?
C95_2 N96_2 C115_2 C112_2 179.6(9) . . . . ?
C111_2 C112_2 C115_2 N116_2 -8.5(14) . . . . ?
C113_2 C112_2 C115_2 N116_2 172.2(12) . . . . ?
C111_2 C112_2 C115_2 N96_2 171.2(12) . . . . ?
C113_2 C112_2 C115_2 N96_2 -8.1(15) . . . . ?
N96_2 C115_2 N116_2 C75_2 0.5(16) . . . . ?
C112_2 C115_2 N116_2 C75_2 -179.9(8) . . . . ?
N76_2 C75_2 N116_2 C115_2 0.0(11) . . . . ?
C72_2 C75_2 N116_2 C115_2 180.0(6) . . . . ?
C125_2 N121_2 C122_2 C123_2 0.0 . . . . ?
Fe3_2 N121_2 C122_2 C123_2 -161(2) . . . . ?
N121_2 C122_2 C123_2 N124_2 0.0 . . . . ?
C122_2 C123_2 N124_2 C126_2 180.0(5) . . . . ?
C122_2 C123_2 N124_2 C125_2 0.0 . . . . ?
C126_2 N124_2 C125_2 C127_2 0.1(7) . . . . ?
C123_2 N124_2 C125_2 C127_2 -180.0(5) . . . . ?
C126_2 N124_2 C125_2 N121_2 -180.0(4) . . . . ?
C123_2 N124_2 C125_2 N121_2 0.0 . . . . ?
C122_2 N121_2 C125_2 C127_2 180.0(5) . . . . ?
Fe3_2 N121_2 C125_2 C127_2 -12.4(15) . . . . ?
C122_2 N121_2 C125_2 N124_2 0.0 . . . . ?
Fe3_2 N121_2 C125_2 N124_2 167.6(15) . . . . ?
N124_2 C125_2 C127_2 N128_2 -171(3) . . . . ?
N121_2 C125_2 C127_2 N128_2 9(3) . . . . ?
C125_2 C127_2 N128_2 C129_2 -177.4(16) . . . . ?
C125_2 C127_2 N128_2 Fe3_2 -1(3) . . . . ?
C127_2 N128_2 C129_2 C130_2 -128(3) . . . . ?
Fe3_2 N128_2 C129_2 C130_2 56(2) . . . . ?
C127_2 N128_2 C129_2 C134_2 48(3) . . . . ?
Fe3_2 N128_2 C129_2 C134_2 -128.0(16) . . . . ?
C134_2 C129_2 C130_2 C131_2 0.0 . . . . ?
N128_2 C129_2 C130_2 C131_2 176.1(18) . . . . ?
C129_2 C130_2 C131_2 C132_2 0.0 . . . . ?
C130_2 C131_2 C132_2 C133_2 0.0 . . . . ?
C130_2 C131_2 C132_2 C135_2 -176.7(11) . . . . ?
C131_2 C132_2 C133_2 C134_2 0.0 . . . . ?
C135_2 C132_2 C133_2 C134_2 176.7(10) . . . . ?
C132_2 C133_2 C134_2 C129_2 0.0 . . . . ?
C130_2 C129_2 C134_2 C133_2 0.0 . . . . ?
N128_2 C129_2 C134_2 C133_2 -176.1(18) . . . . ?
C131_2 C132_2 C135_2 N136_2 -14.2(10) . . . . ?
C133_2 C132_2 C135_2 N136_2 169.1(9) . . . . ?
C131_2 C132_2 C135_2 N176_2 165.7(11) . . . . ?
C133_2 C132_2 C135_2 N176_2 -11.0(10) . . . . ?
N176_2 C135_2 N136_2 C155_2 0.1(7) . . . . ?
C132_2 C135_2 N136_2 C155_2 180.0(5) . . . . ?
C145_2 N141_2 C142_2 C143_2 0.0 . . . . ?
Fe1_2 N141_2 C142_2 C143_2 -173.9(19) . . . . ?
N141_2 C142_2 C143_2 N144_2 0.0 . . . . ?
C142_2 C143_2 N144_2 C146_2 -180.0(5) . . . . ?
C142_2 C143_2 N144_2 C145_2 0.0 . . . . ?
C146_2 N144_2 C145_2 C147_2 0.1(7) . . . . ?
C143_2 N144_2 C145_2 C147_2 -179.8(5) . . . . ?
C146_2 N144_2 C145_2 N141_2 180.0(5) . . . . ?
C143_2 N144_2 C145_2 N141_2 0.0 . . . . ?
C142_2 N141_2 C145_2 C147_2 179.9(5) . . . . ?
Fe1_2 N141_2 C145_2 C147_2 -4.3(13) . . . . ?
C142_2 N141_2 C145_2 N144_2 0.0 . . . . ?
Fe1_2 N141_2 C145_2 N144_2 175.8(13) . . . . ?
N144_2 C145_2 C147_2 N148_2 -176(3) . . . . ?
N141_2 C145_2 C147_2 N148_2 4(3) . . . . ?
C145_2 C147_2 N148_2 C149_2 -167.4(16) . . . . ?
C145_2 C147_2 N148_2 Fe1_2 -1(3) . . . . ?
C147_2 N148_2 C149_2 C150_2 40(3) . . . . ?
Fe1_2 N148_2 C149_2 C150_2 -124.3(16) . . . . ?
C147_2 N148_2 C149_2 C154_2 -146(2) . . . . ?
Fe1_2 N148_2 C149_2 C154_2 50(3) . . . . ?
C154_2 C149_2 C150_2 C151_2 0.0 . . . . ?
N148_2 C149_2 C150_2 C151_2 174(2) . . . . ?
C149_2 C150_2 C151_2 C152_2 0.0 . . . . ?
C150_2 C151_2 C152_2 C153_2 0.0 . . . . ?
C150_2 C151_2 C152_2 C155_2 -170.5(13) . . . . ?
C151_2 C152_2 C153_2 C154_2 0.0 . . . . ?
C155_2 C152_2 C153_2 C154_2 170.4(13) . . . . ?
C152_2 C153_2 C154_2 C149_2 0.0 . . . . ?
C150_2 C149_2 C154_2 C153_2 0.0 . . . . ?
N148_2 C149_2 C154_2 C153_2 -174(2) . . . . ?
C135_2 N136_2 C155_2 N156_2 -0.2(12) . . . . ?
C135_2 N136_2 C155_2 C152_2 179.8(6) . . . . ?
C151_2 C152_2 C155_2 N136_2 -11.1(14) . . . . ?
C153_2 C152_2 C155_2 N136_2 178.4(11) . . . . ?
C151_2 C152_2 C155_2 N156_2 169.0(13) . . . . ?
C153_2 C152_2 C155_2 N156_2 -1.5(15) . . . . ?
N136_2 C155_2 N156_2 C175_2 0.4(15) . . . . ?
C152_2 C155_2 N156_2 C175_2 -179.7(9) . . . . ?
C165_2 N161_2 C162_2 C163_2 0.0 . . . . ?
Fe4_2 N161_2 C162_2 C163_2 -166.3(19) . . . . ?
N161_2 C162_2 C163_2 N164_2 0.0 . . . . ?
C162_2 C163_2 N164_2 C166_2 -179.9(5) . . . . ?
C162_2 C163_2 N164_2 C165_2 0.0 . . . . ?
C166_2 N164_2 C165_2 C167_2 0.0(7) . . . . ?
C163_2 N164_2 C165_2 C167_2 -179.9(5) . . . . ?
C166_2 N164_2 C165_2 N161_2 179.9(5) . . . . ?
C163_2 N164_2 C165_2 N161_2 0.0 . . . . ?
C162_2 N161_2 C165_2 C167_2 179.9(5) . . . . ?
Fe4_2 N161_2 C165_2 C167_2 -9.4(13) . . . . ?
C162_2 N161_2 C165_2 N164_2 0.0 . . . . ?
Fe4_2 N161_2 C165_2 N164_2 170.7(13) . . . . ?
N164_2 C165_2 C167_2 N168_2 -176(3) . . . . ?
N161_2 C165_2 C167_2 N168_2 4(3) . . . . ?
C165_2 C167_2 N168_2 C169_2 -171.4(16) . . . . ?
C165_2 C167_2 N168_2 Fe4_2 4(3) . . . . ?
C167_2 N168_2 C169_2 C170_2 40(3) . . . . ?
Fe4_2 N168_2 C169_2 C170_2 -133.7(15) . . . . ?
C167_2 N168_2 C169_2 C174_2 -141(2) . . . . ?
Fe4_2 N168_2 C169_2 C174_2 45(3) . . . . ?
C174_2 C169_2 C170_2 C171_2 0.0 . . . . ?
N168_2 C169_2 C170_2 C171_2 179(2) . . . . ?
C169_2 C170_2 C171_2 C172_2 0.0 . . . . ?
C170_2 C171_2 C172_2 C173_2 0.0 . . . . ?
C170_2 C171_2 C172_2 C175_2 179.6(13) . . . . ?
C171_2 C172_2 C173_2 C174_2 0.0 . . . . ?
C175_2 C172_2 C173_2 C174_2 -179.6(13) . . . . ?
C172_2 C173_2 C174_2 C169_2 0.0 . . . . ?
C170_2 C169_2 C174_2 C173_2 0.0 . . . . ?
N168_2 C169_2 C174_2 C173_2 -179(2) . . . . ?
C155_2 N156_2 C175_2 N176_2 -0.4(16) . . . . ?
C155_2 N156_2 C175_2 C172_2 179.5(9) . . . . ?
C171_2 C172_2 C175_2 N176_2 170.5(12) . . . . ?
C173_2 C172_2 C175_2 N176_2 -9.9(15) . . . . ?
C171_2 C172_2 C175_2 N156_2 -9.4(15) . . . . ?
C173_2 C172_2 C175_2 N156_2 170.3(12) . . . . ?
N156_2 C175_2 N176_2 C135_2 0.3(15) . . . . ?
C172_2 C175_2 N176_2 C135_2 -179.6(8) . . . . ?
N136_2 C135_2 N176_2 C175_2 -0.1(11) . . . . ?
C132_2 C135_2 N176_2 C175_2 180.0(6) . . . . ?
C185_2 N181_2 C182_2 C183_2 0.0 . . . . ?
Fe4_2 N181_2 C182_2 C183_2 -171.8(17) . . . . ?
N181_2 C182_2 C183_2 N184_2 0.0 . . . . ?
C182_2 C183_2 N184_2 C186_2 179.8(5) . . . . ?
C182_2 C183_2 N184_2 C185_2 0.0 . . . . ?
C186_2 N184_2 C185_2 C187_2 0.3(7) . . . . ?
C183_2 N184_2 C185_2 C187_2 -180(100) . . . . ?
C186_2 N184_2 C185_2 N181_2 -179.9(5) . . . . ?
C183_2 N184_2 C185_2 N181_2 0.0 . . . . ?
C182_2 N181_2 C185_2 C187_2 179.9(5) . . . . ?
Fe4_2 N181_2 C185_2 C187_2 -5.8(12) . . . . ?
C182_2 N181_2 C185_2 N184_2 0.0 . . . . ?
Fe4_2 N181_2 C185_2 N184_2 174.3(12) . . . . ?
N184_2 C185_2 C187_2 N188_2 -179(3) . . . . ?
N181_2 C185_2 C187_2 N188_2 1(3) . . . . ?
C185_2 C187_2 N188_2 C189_2 -169.4(15) . . . . ?
C185_2 C187_2 N188_2 Fe4_2 4(3) . . . . ?
C187_2 N188_2 C189_2 C190_2 -141(2) . . . . ?
Fe4_2 N188_2 C189_2 C190_2 47(3) . . . . ?
C187_2 N188_2 C189_2 C194_2 39(3) . . . . ?
Fe4_2 N188_2 C189_2 C194_2 -133.1(15) . . . . ?
C194_2 C189_2 C190_2 C191_2 0.0 . . . . ?
N188_2 C189_2 C190_2 C191_2 179.9(19) . . . . ?
C189_2 C190_2 C191_2 C192_2 0.0 . . . . ?
C190_2 C191_2 C192_2 C193_2 0.0 . . . . ?
C190_2 C191_2 C192_2 C195_2 -179.7(10) . . . . ?
C191_2 C192_2 C193_2 C194_2 0.0 . . . . ?
C195_2 C192_2 C193_2 C194_2 179.7(10) . . . . ?
C192_2 C193_2 C194_2 C189_2 0.0 . . . . ?
C190_2 C189_2 C194_2 C193_2 0.0 . . . . ?
N188_2 C189_2 C194_2 C193_2 -180(2) . . . . ?
C193_2 C192_2 C195_2 N196_2 172.4(11) . . . . ?
C191_2 C192_2 C195_2 N196_2 -7.9(10) . . . . ?
C193_2 C192_2 C195_2 N236_2 -7.8(11) . . . . ?
C191_2 C192_2 C195_2 N236_2 171.9(11) . . . . ?
N236_2 C195_2 N196_2 C215_2 0.2(7) . . . . ?
C192_2 C195_2 N196_2 C215_2 180.0(4) . . . . ?
C205_2 N201_2 C202_2 C203_2 0.0 . . . . ?
Fe1_2 N201_2 C202_2 C203_2 -163(2) . . . . ?
N201_2 C202_2 C203_2 N204_2 0.0 . . . . ?
C202_2 C203_2 N204_2 C206_2 -180.0(5) . . . . ?
C202_2 C203_2 N204_2 C205_2 0.0 . . . . ?
C206_2 N204_2 C205_2 C207_2 0.1(7) . . . . ?
C203_2 N204_2 C205_2 C207_2 -179.9(5) . . . . ?
C206_2 N204_2 C205_2 N201_2 180.0(5) . . . . ?
C203_2 N204_2 C205_2 N201_2 0.0 . . . . ?
C202_2 N201_2 C205_2 C207_2 179.9(5) . . . . ?
Fe1_2 N201_2 C205_2 C207_2 -11.1(13) . . . . ?
C202_2 N201_2 C205_2 N204_2 0.0 . . . . ?
Fe1_2 N201_2 C205_2 N204_2 169.0(13) . . . . ?
N204_2 C205_2 C207_2 N208_2 -178(3) . . . . ?
N201_2 C205_2 C207_2 N208_2 2(3) . . . . ?
C205_2 C207_2 N208_2 C209_2 -175.9(15) . . . . ?
C205_2 C207_2 N208_2 Fe1_2 9(3) . . . . ?
C207_2 N208_2 C209_2 C210_2 56(3) . . . . ?
Fe1_2 N208_2 C209_2 C210_2 -129.9(17) . . . . ?
C207_2 N208_2 C209_2 C214_2 -122(2) . . . . ?
Fe1_2 N208_2 C209_2 C214_2 52(3) . . . . ?
C214_2 C209_2 C210_2 C211_2 0.0 . . . . ?
N208_2 C209_2 C210_2 C211_2 -177.8(19) . . . . ?
C209_2 C210_2 C211_2 C212_2 0.0 . . . . ?
C210_2 C211_2 C212_2 C213_2 0.0 . . . . ?
C210_2 C211_2 C212_2 C215_2 179.9(13) . . . . ?
C211_2 C212_2 C213_2 C214_2 0.0 . . . . ?
C215_2 C212_2 C213_2 C214_2 -179.9(13) . . . . ?
C212_2 C213_2 C214_2 C209_2 0.0 . . . . ?
C210_2 C209_2 C214_2 C213_2 0.0 . . . . ?
N208_2 C209_2 C214_2 C213_2 177.8(19) . . . . ?
C195_2 N196_2 C215_2 N216_2 0.0(11) . . . . ?
C195_2 N196_2 C215_2 C212_2 179.9(6) . . . . ?
C211_2 C212_2 C215_2 N216_2 166.5(12) . . . . ?
C213_2 C212_2 C215_2 N216_2 -13.6(15) . . . . ?
C211_2 C212_2 C215_2 N196_2 -13.5(14) . . . . ?
C213_2 C212_2 C215_2 N196_2 166.4(11) . . . . ?
N196_2 C215_2 N216_2 C235_2 0.1(15) . . . . ?
C212_2 C215_2 N216_2 C235_2 -179.8(9) . . . . ?
C225_2 N221_2 C222_2 C223_2 0.0 . . . . ?
Fe2_2 N221_2 C222_2 C223_2 -180(2) . . . . ?
N221_2 C222_2 C223_2 N224_2 0.0 . . . . ?
C222_2 C223_2 N224_2 C226_2 179.9(5) . . . . ?
C222_2 C223_2 N224_2 C225_2 0.0 . . . . ?
C226_2 N224_2 C225_2 C227_2 0.2(7) . . . . ?
C223_2 N224_2 C225_2 C227_2 -179.9(5) . . . . ?
C226_2 N224_2 C225_2 N221_2 -179.9(5) . . . . ?
C223_2 N224_2 C225_2 N221_2 0.0 . . . . ?
C222_2 N221_2 C225_2 C227_2 179.9(5) . . . . ?
Fe2_2 N221_2 C225_2 C227_2 -0.2(15) . . . . ?
C222_2 N221_2 C225_2 N224_2 0.0 . . . . ?
Fe2_2 N221_2 C225_2 N224_2 179.9(15) . . . . ?
N224_2 C225_2 C227_2 N228_2 175(3) . . . . ?
N221_2 C225_2 C227_2 N228_2 -4(3) . . . . ?
C225_2 C227_2 N228_2 C229_2 -166.8(17) . . . . ?
C225_2 C227_2 N228_2 Fe2_2 6(3) . . . . ?
C227_2 N228_2 C229_2 C230_2 47(4) . . . . ?
Fe2_2 N228_2 C229_2 C230_2 -125.2(17) . . . . ?
C227_2 N228_2 C229_2 C234_2 -142(3) . . . . ?
Fe2_2 N228_2 C229_2 C234_2 46(3) . . . . ?
C234_2 C229_2 C230_2 C231_2 0.0 . . . . ?
N228_2 C229_2 C230_2 C231_2 171(2) . . . . ?
C229_2 C230_2 C231_2 C232_2 0.0 . . . . ?
C230_2 C231_2 C232_2 C233_2 0.0 . . . . ?
C230_2 C231_2 C232_2 C235_2 -173.5(12) . . . . ?
C231_2 C232_2 C233_2 C234_2 0.0 . . . . ?
C235_2 C232_2 C233_2 C234_2 173.4(13) . . . . ?
C232_2 C233_2 C234_2 C229_2 0.0 . . . . ?
C230_2 C229_2 C234_2 C233_2 0.0 . . . . ?
N228_2 C229_2 C234_2 C233_2 -171(2) . . . . ?
C215_2 N216_2 C235_2 N236_2 -0.4(16) . . . . ?
C215_2 N216_2 C235_2 C232_2 179.9(9) . . . . ?
C231_2 C232_2 C235_2 N236_2 169.7(12) . . . . ?
C233_2 C232_2 C235_2 N236_2 -3.7(15) . . . . ?
C231_2 C232_2 C235_2 N216_2 -10.5(14) . . . . ?
C233_2 C232_2 C235_2 N216_2 176.0(12) . . . . ?
N216_2 C235_2 N236_2 C195_2 0.5(14) . . . . ?
C232_2 C235_2 N236_2 C195_2 -179.8(8) . . . . ?
N196_2 C195_2 N236_2 C235_2 -0.4(10) . . . . ?
C192_2 C195_2 N236_2 C235_2 179.8(6) . . . . ?
C5_3 N1_3 C2_3 C3_3 0.0 . . . . ?
Fe1_3 N1_3 C2_3 C3_3 -176(2) . . . . ?
N1_3 C2_3 C3_3 N4_3 0.0 . . . . ?
C2_3 C3_3 N4_3 C6_3 179.9(5) . . . . ?
C2_3 C3_3 N4_3 C5_3 0.0 . . . . ?
C6_3 N4_3 C5_3 C7_3 0.2(7) . . . . ?
C3_3 N4_3 C5_3 C7_3 -179.9(5) . . . . ?
C6_3 N4_3 C5_3 N1_3 -179.9(5) . . . . ?
C3_3 N4_3 C5_3 N1_3 0.0 . . . . ?
C2_3 N1_3 C5_3 C7_3 179.9(5) . . . . ?
Fe1_3 N1_3 C5_3 C7_3 -3.2(15) . . . . ?
C2_3 N1_3 C5_3 N4_3 0.0 . . . . ?
Fe1_3 N1_3 C5_3 N4_3 177.0(14) . . . . ?
N4_3 C5_3 C7_3 N8_3 -178(3) . . . . ?
N1_3 C5_3 C7_3 N8_3 2(3) . . . . ?
C5_3 C7_3 N8_3 C9_3 -167.6(16) . . . . ?
C5_3 C7_3 N8_3 Fe1_3 0(3) . . . . ?
C7_3 N8_3 C9_3 C10_3 40(3) . . . . ?
Fe1_3 N8_3 C9_3 C10_3 -125.7(15) . . . . ?
C7_3 N8_3 C9_3 C14_3 -145(2) . . . . ?
Fe1_3 N8_3 C9_3 C14_3 50(2) . . . . ?
C14_3 C9_3 C10_3 C11_3 0.0 . . . . ?
N8_3 C9_3 C10_3 C11_3 175.3(19) . . . . ?
C9_3 C10_3 C11_3 C12_3 0.0 . . . . ?
C10_3 C11_3 C12_3 C13_3 0.0 . . . . ?
C10_3 C11_3 C12_3 C15_3 -169.5(10) . . . . ?
C11_3 C12_3 C13_3 C14_3 0.0 . . . . ?
C15_3 C12_3 C13_3 C14_3 169.5(10) . . . . ?
C12_3 C13_3 C14_3 C9_3 0.0 . . . . ?
C10_3 C9_3 C14_3 C13_3 0.0 . . . . ?
N8_3 C9_3 C14_3 C13_3 -175.3(18) . . . . ?
C11_3 C12_3 C15_3 N16_3 168.8(10) . . . . ?
C13_3 C12_3 C15_3 N16_3 -0.8(10) . . . . ?
C11_3 C12_3 C15_3 N36_3 -11.3(10) . . . . ?
C13_3 C12_3 C15_3 N36_3 179.1(11) . . . . ?
N36_3 C15_3 N16_3 C55_3 0.1(7) . . . . ?
C12_3 C15_3 N16_3 C55_3 -180.0(5) . . . . ?
C25_3 N21_3 C22_3 C23_3 0.0 . . . . ?
Fe2_3 N21_3 C22_3 C23_3 -166(2) . . . . ?
N21_3 C22_3 C23_3 N24_3 0.0 . . . . ?
C22_3 C23_3 N24_3 C26_3 180.0(5) . . . . ?
C22_3 C23_3 N24_3 C25_3 0.0 . . . . ?
C26_3 N24_3 C25_3 C27_3 0.0(7) . . . . ?
C23_3 N24_3 C25_3 C27_3 -180.0(5) . . . . ?
C26_3 N24_3 C25_3 N21_3 180.0(5) . . . . ?
C23_3 N24_3 C25_3 N21_3 0.0 . . . . ?
C22_3 N21_3 C25_3 C27_3 180.0(5) . . . . ?
Fe2_3 N21_3 C25_3 C27_3 -9.2(14) . . . . ?
C22_3 N21_3 C25_3 N24_3 0.0 . . . . ?
Fe2_3 N21_3 C25_3 N24_3 170.8(13) . . . . ?
N24_3 C25_3 C27_3 N28_3 -177(3) . . . . ?
N21_3 C25_3 C27_3 N28_3 3(3) . . . . ?
C25_3 C27_3 N28_3 C29_3 -172.9(15) . . . . ?
C25_3 C27_3 N28_3 Fe2_3 5(3) . . . . ?
C27_3 N28_3 C29_3 C30_3 -126(2) . . . . ?
Fe2_3 N28_3 C29_3 C30_3 56(3) . . . . ?
C27_3 N28_3 C29_3 C34_3 48(3) . . . . ?
Fe2_3 N28_3 C29_3 C34_3 -129.4(16) . . . . ?
C34_3 C29_3 C30_3 C31_3 0.0 . . . . ?
N28_3 C29_3 C30_3 C31_3 175(2) . . . . ?
C29_3 C30_3 C31_3 C32_3 0.0 . . . . ?
C30_3 C31_3 C32_3 C33_3 0.0 . . . . ?
C30_3 C31_3 C32_3 C35_3 -178.0(13) . . . . ?
C31_3 C32_3 C33_3 C34_3 0.0 . . . . ?
C35_3 C32_3 C33_3 C34_3 178.1(13) . . . . ?
C32_3 C33_3 C34_3 C29_3 0.0 . . . . ?
C30_3 C29_3 C34_3 C33_3 0.0 . . . . ?
N28_3 C29_3 C34_3 C33_3 -174.7(19) . . . . ?
C31_3 C32_3 C35_3 N56_3 168.3(12) . . . . ?
C33_3 C32_3 C35_3 N56_3 -9.8(15) . . . . ?
C31_3 C32_3 C35_3 N36_3 -11.7(15) . . . . ?
C33_3 C32_3 C35_3 N36_3 170.2(12) . . . . ?
N56_3 C35_3 N36_3 C15_3 0.2(15) . . . . ?
C32_3 C35_3 N36_3 C15_3 -179.8(8) . . . . ?
N16_3 C15_3 N36_3 C35_3 -0.1(11) . . . . ?
C12_3 C15_3 N36_3 C35_3 180.0(7) . . . . ?
C45_3 N41_3 C42_3 C43_3 0.0 . . . . ?
Fe3_3 N41_3 C42_3 C43_3 -166.1(18) . . . . ?
N41_3 C42_3 C43_3 N44_3 0.0 . . . . ?
C42_3 C43_3 N44_3 C46_3 179.9(5) . . . . ?
C42_3 C43_3 N44_3 C45_3 0.0 . . . . ?
C46_3 N44_3 C45_3 C47_3 0.2(7) . . . . ?
C43_3 N44_3 C45_3 C47_3 -179.9(5) . . . . ?
C46_3 N44_3 C45_3 N41_3 -179.9(5) . . . . ?
C43_3 N44_3 C45_3 N41_3 0.0 . . . . ?
C42_3 N41_3 C45_3 C47_3 179.9(5) . . . . ?
Fe3_3 N41_3 C45_3 C47_3 -9.6(13) . . . . ?
C42_3 N41_3 C45_3 N44_3 0.0 . . . . ?
Fe3_3 N41_3 C45_3 N44_3 170.5(12) . . . . ?
N44_3 C45_3 C47_3 N48_3 -176(3) . . . . ?
N41_3 C45_3 C47_3 N48_3 4(3) . . . . ?
C45_3 C47_3 N48_3 C49_3 -169.7(16) . . . . ?
C45_3 C47_3 N48_3 Fe3_3 4(3) . . . . ?
C47_3 N48_3 C49_3 C50_3 40(3) . . . . ?
Fe3_3 N48_3 C49_3 C50_3 -132.5(15) . . . . ?
C47_3 N48_3 C49_3 C54_3 -141(2) . . . . ?
Fe3_3 N48_3 C49_3 C54_3 47(3) . . . . ?
C54_3 C49_3 C50_3 C51_3 0.0 . . . . ?
N48_3 C49_3 C50_3 C51_3 179(2) . . . . ?
C49_3 C50_3 C51_3 C52_3 0.0 . . . . ?
C50_3 C51_3 C52_3 C53_3 0.0 . . . . ?
C50_3 C51_3 C52_3 C55_3 178.8(12) . . . . ?
C51_3 C52_3 C53_3 C54_3 0.0 . . . . ?
C55_3 C52_3 C53_3 C54_3 -178.9(12) . . . . ?
C52_3 C53_3 C54_3 C49_3 0.0 . . . . ?
C50_3 C49_3 C54_3 C53_3 0.0 . . . . ?
N48_3 C49_3 C54_3 C53_3 -179(2) . . . . ?
C15_3 N16_3 C55_3 N56_3 -0.2(11) . . . . ?
C15_3 N16_3 C55_3 C52_3 179.8(7) . . . . ?
C53_3 C52_3 C55_3 N16_3 169.6(10) . . . . ?
C51_3 C52_3 C55_3 N16_3 -9.2(15) . . . . ?
C53_3 C52_3 C55_3 N56_3 -10.3(14) . . . . ?
C51_3 C52_3 C55_3 N56_3 170.8(12) . . . . ?
N36_3 C35_3 N56_3 C55_3 -0.3(16) . . . . ?
C32_3 C35_3 N56_3 C55_3 179.7(9) . . . . ?
N16_3 C55_3 N56_3 C35_3 0.3(15) . . . . ?
C52_3 C55_3 N56_3 C35_3 -179.7(9) . . . . ?
C65_3 N61_3 C62_3 C63_3 0.0 . . . . ?
Fe2_3 N61_3 C62_3 C63_3 -177.3(17) . . . . ?
N61_3 C62_3 C63_3 N64_3 0.0 . . . . ?
C62_3 C63_3 N64_3 C66_3 179.9(5) . . . . ?
C62_3 C63_3 N64_3 C65_3 0.0 . . . . ?
C62_3 N61_3 C65_3 C67_3 179.8(5) . . . . ?
Fe2_3 N61_3 C65_3 C67_3 -2.1(13) . . . . ?
C62_3 N61_3 C65_3 N64_3 0.0 . . . . ?
Fe2_3 N61_3 C65_3 N64_3 178.0(13) . . . . ?
C66_3 N64_3 C65_3 C67_3 0.3(7) . . . . ?
C63_3 N64_3 C65_3 C67_3 -179.8(5) . . . . ?
C66_3 N64_3 C65_3 N61_3 -179.9(5) . . . . ?
C63_3 N64_3 C65_3 N61_3 0.0 . . . . ?
N61_3 C65_3 C67_3 N68_3 0(3) . . . . ?
N64_3 C65_3 C67_3 N68_3 179(3) . . . . ?
C65_3 C67_3 N68_3 C69_3 -167.5(15) . . . . ?
C65_3 C67_3 N68_3 Fe2_3 2(3) . . . . ?
C67_3 N68_3 C69_3 C70_3 42(3) . . . . ?
Fe2_3 N68_3 C69_3 C70_3 -126.4(15) . . . . ?
C67_3 N68_3 C69_3 C74_3 -145(2) . . . . ?
Fe2_3 N68_3 C69_3 C74_3 47(2) . . . . ?
C74_3 C69_3 C70_3 C71_3 0.0 . . . . ?
N68_3 C69_3 C70_3 C71_3 173.2(19) . . . . ?
C69_3 C70_3 C71_3 C72_3 0.0 . . . . ?
C70_3 C71_3 C72_3 C73_3 0.0 . . . . ?
C70_3 C71_3 C72_3 C75_3 -171.6(10) . . . . ?
C71_3 C72_3 C73_3 C74_3 0.0 . . . . ?
C75_3 C72_3 C73_3 C74_3 171.6(10) . . . . ?
C72_3 C73_3 C74_3 C69_3 0.0 . . . . ?
C70_3 C69_3 C74_3 C73_3 0.0 . . . . ?
N68_3 C69_3 C74_3 C73_3 -173.1(19) . . . . ?
C71_3 C72_3 C75_3 N76_3 170.3(10) . . . . ?
C73_3 C72_3 C75_3 N76_3 -1.3(10) . . . . ?
C71_3 C72_3 C75_3 N116_3 -9.9(11) . . . . ?
C73_3 C72_3 C75_3 N116_3 178.5(11) . . . . ?
N116_3 C75_3 N76_3 C95_3 0.2(7) . . . . ?
C72_3 C75_3 N76_3 C95_3 179.9(5) . . . . ?
C85_3 N81_3 C82_3 C83_3 0.0 . . . . ?
Fe3_3 N81_3 C82_3 C83_3 -168.9(17) . . . . ?
N81_3 C82_3 C83_3 N84_3 0.0 . . . . ?
C82_3 C83_3 N84_3 C86_3 179.9(5) . . . . ?
C82_3 C83_3 N84_3 C85_3 0.0 . . . . ?
C86_3 N84_3 C85_3 C87_3 0.2(7) . . . . ?
C83_3 N84_3 C85_3 C87_3 -179.9(5) . . . . ?
C86_3 N84_3 C85_3 N81_3 -179.9(4) . . . . ?
C83_3 N84_3 C85_3 N81_3 0.0 . . . . ?
C82_3 N81_3 C85_3 C87_3 179.9(5) . . . . ?
Fe3_3 N81_3 C85_3 C87_3 -7.7(12) . . . . ?
C82_3 N81_3 C85_3 N84_3 0.0 . . . . ?
Fe3_3 N81_3 C85_3 N84_3 172.4(12) . . . . ?
N84_3 C85_3 C87_3 N88_3 -178(2) . . . . ?
N81_3 C85_3 C87_3 N88_3 2(3) . . . . ?
C85_3 C87_3 N88_3 C89_3 -170.6(17) . . . . ?
C85_3 C87_3 N88_3 Fe3_3 5(3) . . . . ?
C87_3 N88_3 C89_3 C90_3 39(3) . . . . ?
Fe3_3 N88_3 C89_3 C90_3 -135.2(15) . . . . ?
C87_3 N88_3 C89_3 C94_3 -141(2) . . . . ?
Fe3_3 N88_3 C89_3 C94_3 44(3) . . . . ?
C94_3 C89_3 C90_3 C91_3 0.0 . . . . ?
N88_3 C89_3 C90_3 C91_3 179(2) . . . . ?
C89_3 C90_3 C91_3 C92_3 0.0 . . . . ?
C90_3 C91_3 C92_3 C93_3 0.0 . . . . ?
C90_3 C91_3 C92_3 C95_3 179.6(13) . . . . ?
C91_3 C92_3 C93_3 C94_3 0.0 . . . . ?
C95_3 C92_3 C93_3 C94_3 -179.6(12) . . . . ?
C92_3 C93_3 C94_3 C89_3 0.0 . . . . ?
C90_3 C89_3 C94_3 C93_3 0.0 . . . . ?
N88_3 C89_3 C94_3 C93_3 -179(2) . . . . ?
C75_3 N76_3 C95_3 N96_3 0.2(12) . . . . ?
C75_3 N76_3 C95_3 C92_3 179.8(6) . . . . ?
C91_3 C92_3 C95_3 N96_3 172.3(12) . . . . ?
C93_3 C92_3 C95_3 N96_3 -8.1(15) . . . . ?
C91_3 C92_3 C95_3 N76_3 -7.4(14) . . . . ?
C93_3 C92_3 C95_3 N76_3 172.2(10) . . . . ?
N76_3 C95_3 N96_3 C115_3 -0.2(15) . . . . ?
C92_3 C95_3 N96_3 C115_3 -179.8(9) . . . . ?
C105_3 N101_3 C102_3 C103_3 0.0 . . . . ?
Fe4_3 N101_3 C102_3 C103_3 -159(2) . . . . ?
N101_3 C102_3 C103_3 N104_3 0.0 . . . . ?
C102_3 C103_3 N104_3 C106_3 179.8(5) . . . . ?
C102_3 C103_3 N104_3 C105_3 0.0 . . . . ?
C106_3 N104_3 C105_3 C107_3 0.3(7) . . . . ?
C103_3 N104_3 C105_3 C107_3 -179.9(5) . . . . ?
C106_3 N104_3 C105_3 N101_3 -179.9(5) . . . . ?
C103_3 N104_3 C105_3 N101_3 0.0 . . . . ?
C102_3 N101_3 C105_3 C107_3 179.9(5) . . . . ?
Fe4_3 N101_3 C105_3 C107_3 -13.7(15) . . . . ?
C102_3 N101_3 C105_3 N104_3 0.0 . . . . ?
Fe4_3 N101_3 C105_3 N104_3 166.5(15) . . . . ?
N104_3 C105_3 C107_3 N108_3 -172(3) . . . . ?
N101_3 C105_3 C107_3 N108_3 8(3) . . . . ?
C105_3 C107_3 N108_3 C109_3 -175.0(17) . . . . ?
C105_3 C107_3 N108_3 Fe4_3 3(4) . . . . ?
C107_3 N108_3 C109_3 C110_3 -124(3) . . . . ?
Fe4_3 N108_3 C109_3 C110_3 58(3) . . . . ?
C107_3 N108_3 C109_3 C114_3 52(3) . . . . ?
Fe4_3 N108_3 C109_3 C114_3 -125.4(17) . . . . ?
C114_3 C109_3 C110_3 C111_3 0.0 . . . . ?
N108_3 C109_3 C110_3 C111_3 176.4(19) . . . . ?
C109_3 C110_3 C111_3 C112_3 0.0 . . . . ?
C110_3 C111_3 C112_3 C113_3 0.0 . . . . ?
C110_3 C111_3 C112_3 C115_3 -178.2(13) . . . . ?
C111_3 C112_3 C113_3 C114_3 0.0 . . . . ?
C115_3 C112_3 C113_3 C114_3 178.2(12) . . . . ?
C112_3 C113_3 C114_3 C109_3 0.0 . . . . ?
C110_3 C109_3 C114_3 C113_3 0.0 . . . . ?
N108_3 C109_3 C114_3 C113_3 -176.4(18) . . . . ?
C95_3 N96_3 C115_3 N116_3 -0.2(16) . . . . ?
C95_3 N96_3 C115_3 C112_3 -179.9(9) . . . . ?
C111_3 C112_3 C115_3 N96_3 165.3(12) . . . . ?
C113_3 C112_3 C115_3 N96_3 -12.8(15) . . . . ?
C111_3 C112_3 C115_3 N116_3 -14.4(15) . . . . ?
C113_3 C112_3 C115_3 N116_3 167.4(12) . . . . ?
N96_3 C115_3 N116_3 C75_3 0.5(15) . . . . ?
C112_3 C115_3 N116_3 C75_3 -179.8(8) . . . . ?
N76_3 C75_3 N116_3 C115_3 -0.5(11) . . . . ?
C72_3 C75_3 N116_3 C115_3 179.8(6) . . . . ?
C125_3 N121_3 C122_3 C123_3 0.0 . . . . ?
Fe3_3 N121_3 C122_3 C123_3 -168(2) . . . . ?
N121_3 C122_3 C123_3 N124_3 0.0 . . . . ?
C122_3 C123_3 N124_3 C126_3 179.9(5) . . . . ?
C122_3 C123_3 N124_3 C125_3 0.0 . . . . ?
C122_3 N121_3 C125_3 C127_3 179.9(5) . . . . ?
Fe3_3 N121_3 C125_3 C127_3 -8.2(14) . . . . ?
C122_3 N121_3 C125_3 N124_3 0.0 . . . . ?
Fe3_3 N121_3 C125_3 N124_3 171.8(14) . . . . ?
C126_3 N124_3 C125_3 C127_3 0.2(7) . . . . ?
C123_3 N124_3 C125_3 C127_3 -179.9(5) . . . . ?
C126_3 N124_3 C125_3 N121_3 -179.9(5) . . . . ?
C123_3 N124_3 C125_3 N121_3 0.0 . . . . ?
N121_3 C125_3 C127_3 N128_3 1(3) . . . . ?
N124_3 C125_3 C127_3 N128_3 -179(3) . . . . ?
C125_3 C127_3 N128_3 C129_3 -169.1(16) . . . . ?
C125_3 C127_3 N128_3 Fe3_3 6(3) . . . . ?
C127_3 N128_3 C129_3 C130_3 -139(2) . . . . ?
Fe3_3 N128_3 C129_3 C130_3 47(3) . . . . ?
C127_3 N128_3 C129_3 C134_3 42(3) . . . . ?
Fe3_3 N128_3 C129_3 C134_3 -132.2(16) . . . . ?
C134_3 C129_3 C130_3 C131_3 0.0 . . . . ?
N128_3 C129_3 C130_3 C131_3 -178.9(19) . . . . ?
C129_3 C130_3 C131_3 C132_3 0.0 . . . . ?
C130_3 C131_3 C132_3 C133_3 0.0 . . . . ?
C130_3 C131_3 C132_3 C135_3 -179.8(10) . . . . ?
C131_3 C132_3 C133_3 C134_3 0.0 . . . . ?
C135_3 C132_3 C133_3 C134_3 179.8(10) . . . . ?
C132_3 C133_3 C134_3 C129_3 0.0 . . . . ?
C130_3 C129_3 C134_3 C133_3 0.0 . . . . ?
N128_3 C129_3 C134_3 C133_3 178.9(19) . . . . ?
C131_3 C132_3 C135_3 N136_3 -9.8(10) . . . . ?
C133_3 C132_3 C135_3 N136_3 170.4(10) . . . . ?
C131_3 C132_3 C135_3 N176_3 169.9(11) . . . . ?
C133_3 C132_3 C135_3 N176_3 -9.9(10) . . . . ?
N176_3 C135_3 N136_3 C155_3 0.4(7) . . . . ?
C132_3 C135_3 N136_3 C155_3 -180.0(5) . . . . ?
C145_3 N141_3 C142_3 C143_3 0.0 . . . . ?
Fe1_3 N141_3 C142_3 C143_3 -162(2) . . . . ?
N141_3 C142_3 C143_3 N144_3 0.0 . . . . ?
C142_3 C143_3 N144_3 C146_3 -180.0(5) . . . . ?
C142_3 C143_3 N144_3 C145_3 0.0 . . . . ?
C142_3 N141_3 C145_3 C147_3 179.9(5) . . . . ?
Fe1_3 N141_3 C145_3 C147_3 -11.8(15) . . . . ?
C142_3 N141_3 C145_3 N144_3 0.0 . . . . ?
Fe1_3 N141_3 C145_3 N144_3 168.3(15) . . . . ?
C146_3 N144_3 C145_3 C147_3 0.1(7) . . . . ?
C143_3 N144_3 C145_3 C147_3 -179.9(5) . . . . ?
C146_3 N144_3 C145_3 N141_3 180.0(5) . . . . ?
C143_3 N144_3 C145_3 N141_3 0.0 . . . . ?
N141_3 C145_3 C147_3 N148_3 6(3) . . . . ?
N144_3 C145_3 C147_3 N148_3 -174(3) . . . . ?
C145_3 C147_3 N148_3 C149_3 -177.6(15) . . . . ?
C145_3 C147_3 N148_3 Fe1_3 3(3) . . . . ?
C147_3 N148_3 C149_3 C150_3 50(3) . . . . ?
Fe1_3 N148_3 C149_3 C150_3 -131.2(15) . . . . ?
C147_3 N148_3 C149_3 C154_3 -127(3) . . . . ?
Fe1_3 N148_3 C149_3 C154_3 52(3) . . . . ?
C154_3 C149_3 C150_3 C151_3 0.0 . . . . ?
N148_3 C149_3 C150_3 C151_3 -176.4(18) . . . . ?
C149_3 C150_3 C151_3 C152_3 0.0 . . . . ?
C150_3 C151_3 C152_3 C153_3 0.0 . . . . ?
C150_3 C151_3 C152_3 C155_3 177.5(12) . . . . ?
C151_3 C152_3 C153_3 C154_3 0.0 . . . . ?
C155_3 C152_3 C153_3 C154_3 -177.4(13) . . . . ?
C152_3 C153_3 C154_3 C149_3 0.0 . . . . ?
C150_3 C149_3 C154_3 C153_3 0.0 . . . . ?
N148_3 C149_3 C154_3 C153_3 176.2(19) . . . . ?
C135_3 N136_3 C155_3 N156_3 -0.2(12) . . . . ?
C135_3 N136_3 C155_3 C152_3 180.0(6) . . . . ?
C151_3 C152_3 C155_3 N156_3 170.1(12) . . . . ?
C153_3 C152_3 C155_3 N156_3 -12.4(15) . . . . ?
C151_3 C152_3 C155_3 N136_3 -10.0(14) . . . . ?
C153_3 C152_3 C155_3 N136_3 167.4(11) . . . . ?
N136_3 C155_3 N156_3 C175_3 0.1(15) . . . . ?
C152_3 C155_3 N156_3 C175_3 180.0(9) . . . . ?
C165_3 N161_3 C162_3 C163_3 0.0 . . . . ?
Fe4_3 N161_3 C162_3 C163_3 -176.7(18) . . . . ?
N161_3 C162_3 C163_3 N164_3 0.0 . . . . ?
C162_3 C163_3 N164_3 C166_3 179.9(5) . . . . ?
C162_3 C163_3 N164_3 C165_3 0.0 . . . . ?
C166_3 N164_3 C165_3 C167_3 0.2(7) . . . . ?
C163_3 N164_3 C165_3 C167_3 -179.9(5) . . . . ?
C166_3 N164_3 C165_3 N161_3 -179.9(4) . . . . ?
C163_3 N164_3 C165_3 N161_3 0.0 . . . . ?
C162_3 N161_3 C165_3 C167_3 179.9(5) . . . . ?
Fe4_3 N161_3 C165_3 C167_3 -2.3(13) . . . . ?
C162_3 N161_3 C165_3 N164_3 0.0 . . . . ?
Fe4_3 N161_3 C165_3 N164_3 177.8(12) . . . . ?
N164_3 C165_3 C167_3 N168_3 180(2) . . . . ?
N161_3 C165_3 C167_3 N168_3 0(3) . . . . ?
C165_3 C167_3 N168_3 C169_3 -166.7(16) . . . . ?
C165_3 C167_3 N168_3 Fe4_3 3(3) . . . . ?
C167_3 N168_3 C169_3 C170_3 42(3) . . . . ?
Fe4_3 N168_3 C169_3 C170_3 -125.6(16) . . . . ?
C167_3 N168_3 C169_3 C174_3 -146(2) . . . . ?
Fe4_3 N168_3 C169_3 C174_3 47(3) . . . . ?
C174_3 C169_3 C170_3 C171_3 0.0 . . . . ?
N168_3 C169_3 C170_3 C171_3 172(2) . . . . ?
C169_3 C170_3 C171_3 C172_3 0.0 . . . . ?
C170_3 C171_3 C172_3 C173_3 0.0 . . . . ?
C170_3 C171_3 C172_3 C175_3 -172.0(13) . . . . ?
C171_3 C172_3 C173_3 C174_3 0.0 . . . . ?
C175_3 C172_3 C173_3 C174_3 172.0(13) . . . . ?
C172_3 C173_3 C174_3 C169_3 0.0 . . . . ?
C170_3 C169_3 C174_3 C173_3 0.0 . . . . ?
N168_3 C169_3 C174_3 C173_3 -172(2) . . . . ?
C155_3 N156_3 C175_3 N176_3 -0.3(16) . . . . ?
C155_3 N156_3 C175_3 C172_3 179.5(9) . . . . ?
C171_3 C172_3 C175_3 N176_3 171.3(12) . . . . ?
C173_3 C172_3 C175_3 N176_3 -0.7(15) . . . . ?
C171_3 C172_3 C175_3 N156_3 -8.5(14) . . . . ?
C173_3 C172_3 C175_3 N156_3 179.4(12) . . . . ?
N156_3 C175_3 N176_3 C135_3 0.5(15) . . . . ?
C172_3 C175_3 N176_3 C135_3 -179.3(7) . . . . ?
N136_3 C135_3 N176_3 C175_3 -0.5(10) . . . . ?
C132_3 C135_3 N176_3 C175_3 179.8(6) . . . . ?
C185_3 N181_3 C182_3 C183_3 0.0 . . . . ?
Fe4_3 N181_3 C182_3 C183_3 -174(2) . . . . ?
N181_3 C182_3 C183_3 N184_3 0.0 . . . . ?
C182_3 C183_3 N184_3 C186_3 -180.0(5) . . . . ?
C182_3 C183_3 N184_3 C185_3 0.0 . . . . ?
C182_3 N181_3 C185_3 C187_3 180.0(5) . . . . ?
Fe4_3 N181_3 C185_3 C187_3 -4.3(16) . . . . ?
C182_3 N181_3 C185_3 N184_3 0.0 . . . . ?
Fe4_3 N181_3 C185_3 N184_3 175.8(15) . . . . ?
C186_3 N184_3 C185_3 C187_3 0.0(7) . . . . ?
C183_3 N184_3 C185_3 C187_3 -180.0(5) . . . . ?
C186_3 N184_3 C185_3 N181_3 180.0(4) . . . . ?
C183_3 N184_3 C185_3 N181_3 0.0 . . . . ?
N181_3 C185_3 C187_3 N188_3 2(3) . . . . ?
N184_3 C185_3 C187_3 N188_3 -178(3) . . . . ?
C185_3 C187_3 N188_3 C189_3 -172.2(18) . . . . ?
C185_3 C187_3 N188_3 Fe4_3 1(4) . . . . ?
C187_3 N188_3 C189_3 C190_3 -154(3) . . . . ?
Fe4_3 N188_3 C189_3 C190_3 34(3) . . . . ?
C187_3 N188_3 C189_3 C194_3 31(4) . . . . ?
Fe4_3 N188_3 C189_3 C194_3 -141.3(15) . . . . ?
C194_3 C189_3 C190_3 C191_3 0.0 . . . . ?
N188_3 C189_3 C190_3 C191_3 -175(2) . . . . ?
C189_3 C190_3 C191_3 C192_3 0.0 . . . . ?
C190_3 C191_3 C192_3 C193_3 0.0 . . . . ?
C190_3 C191_3 C192_3 C195_3 -177.7(10) . . . . ?
C191_3 C192_3 C193_3 C194_3 0.0 . . . . ?
C195_3 C192_3 C193_3 C194_3 177.7(10) . . . . ?
C192_3 C193_3 C194_3 C189_3 0.0 . . . . ?
C190_3 C189_3 C194_3 C193_3 0.0 . . . . ?
N188_3 C189_3 C194_3 C193_3 175(2) . . . . ?
C191_3 C192_3 C195_3 N196_3 2.5(9) . . . . ?
C193_3 C192_3 C195_3 N196_3 -175.2(9) . . . . ?
C191_3 C192_3 C195_3 N236_3 -177.5(10) . . . . ?
C193_3 C192_3 C195_3 N236_3 4.8(10) . . . . ?
N236_3 C195_3 N196_3 C215_3 0.2(7) . . . . ?
C192_3 C195_3 N196_3 C215_3 -179.9(5) . . . . ?
C205_3 N201_3 C202_3 C203_3 0.0 . . . . ?
Fe1_3 N201_3 C202_3 C203_3 -168.5(19) . . . . ?
N201_3 C202_3 C203_3 N204_3 0.0 . . . . ?
C202_3 C203_3 N204_3 C206_3 -179.9(5) . . . . ?
C202_3 C203_3 N204_3 C205_3 0.0 . . . . ?
C202_3 N201_3 C205_3 C207_3 -179.9(5) . . . . ?
Fe1_3 N201_3 C205_3 C207_3 -8.0(14) . . . . ?
C202_3 N201_3 C205_3 N204_3 0.0 . . . . ?
Fe1_3 N201_3 C205_3 N204_3 171.9(13) . . . . ?
C206_3 N204_3 C205_3 C207_3 -0.2(7) . . . . ?
C203_3 N204_3 C205_3 C207_3 179.9(5) . . . . ?
C206_3 N204_3 C205_3 N201_3 179.9(4) . . . . ?
C203_3 N204_3 C205_3 N201_3 0.0 . . . . ?
N201_3 C205_3 C207_3 N208_3 2(3) . . . . ?
N204_3 C205_3 C207_3 N208_3 -178(3) . . . . ?
C205_3 C207_3 N208_3 C209_3 -171.9(17) . . . . ?
C205_3 C207_3 N208_3 Fe1_3 5(3) . . . . ?
C207_3 N208_3 C209_3 C210_3 34(3) . . . . ?
Fe1_3 N208_3 C209_3 C210_3 -141.7(15) . . . . ?
C207_3 N208_3 C209_3 C214_3 -151(2) . . . . ?
Fe1_3 N208_3 C209_3 C214_3 33(3) . . . . ?
C214_3 C209_3 C210_3 C211_3 0.0 . . . . ?
N208_3 C209_3 C210_3 C211_3 175(2) . . . . ?
C209_3 C210_3 C211_3 C212_3 0.0 . . . . ?
C210_3 C211_3 C212_3 C213_3 0.0 . . . . ?
C210_3 C211_3 C212_3 C215_3 177.8(12) . . . . ?
C211_3 C212_3 C213_3 C214_3 0.0 . . . . ?
C215_3 C212_3 C213_3 C214_3 -177.8(12) . . . . ?
C212_3 C213_3 C214_3 C209_3 0.0 . . . . ?
C210_3 C209_3 C214_3 C213_3 0.0 . . . . ?
N208_3 C209_3 C214_3 C213_3 -175(2) . . . . ?
C195_3 N196_3 C215_3 N216_3 -0.4(12) . . . . ?
C195_3 N196_3 C215_3 C212_3 -179.7(6) . . . . ?
C211_3 C212_3 C215_3 N216_3 -175.3(12) . . . . ?
C213_3 C212_3 C215_3 N216_3 2.5(14) . . . . ?
C211_3 C212_3 C215_3 N196_3 4.1(14) . . . . ?
C213_3 C212_3 C215_3 N196_3 -178.1(10) . . . . ?
N196_3 C215_3 N216_3 C235_3 0.7(15) . . . . ?
C212_3 C215_3 N216_3 C235_3 180.0(9) . . . . ?
C225_3 N221_3 C222_3 C223_3 0.0 . . . . ?
Fe2_3 N221_3 C222_3 C223_3 -166(2) . . . . ?
N221_3 C222_3 C223_3 N224_3 0.0 . . . . ?
C222_3 C223_3 N224_3 C226_3 180.0(5) . . . . ?
C222_3 C223_3 N224_3 C225_3 0.0 . . . . ?
C222_3 N221_3 C225_3 C227_3 179.9(5) . . . . ?
Fe2_3 N221_3 C225_3 C227_3 -9.7(15) . . . . ?
C222_3 N221_3 C225_3 N224_3 0.0 . . . . ?
Fe2_3 N221_3 C225_3 N224_3 170.4(15) . . . . ?
C226_3 N224_3 C225_3 C227_3 0.1(7) . . . . ?
C223_3 N224_3 C225_3 C227_3 -179.9(5) . . . . ?
C226_3 N224_3 C225_3 N221_3 -180.0(4) . . . . ?
C223_3 N224_3 C225_3 N221_3 0.0 . . . . ?
N221_3 C225_3 C227_3 N228_3 3(3) . . . . ?
N224_3 C225_3 C227_3 N228_3 -177(3) . . . . ?
C225_3 C227_3 N228_3 C229_3 -171.7(18) . . . . ?
C225_3 C227_3 N228_3 Fe2_3 4(3) . . . . ?
C227_3 N228_3 C229_3 C230_3 36(4) . . . . ?
Fe2_3 N228_3 C229_3 C230_3 -139.0(16) . . . . ?
C227_3 N228_3 C229_3 C234_3 -151(3) . . . . ?
Fe2_3 N228_3 C229_3 C234_3 34(3) . . . . ?
C234_3 C229_3 C230_3 C231_3 0.0 . . . . ?
N228_3 C229_3 C230_3 C231_3 173(2) . . . . ?
C229_3 C230_3 C231_3 C232_3 0.0 . . . . ?
C230_3 C231_3 C232_3 C233_3 0.0 . . . . ?
C230_3 C231_3 C232_3 C235_3 175.5(12) . . . . ?
C231_3 C232_3 C233_3 C234_3 0.0 . . . . ?
C235_3 C232_3 C233_3 C234_3 -175.6(12) . . . . ?
C232_3 C233_3 C234_3 C229_3 0.0 . . . . ?
C230_3 C229_3 C234_3 C233_3 0.0 . . . . ?
N228_3 C229_3 C234_3 C233_3 -173(2) . . . . ?
C215_3 N216_3 C235_3 N236_3 -0.8(16) . . . . ?
C215_3 N216_3 C235_3 C232_3 -179.8(9) . . . . ?
C231_3 C232_3 C235_3 N236_3 -175.0(11) . . . . ?
C233_3 C232_3 C235_3 N236_3 0.5(14) . . . . ?
C231_3 C232_3 C235_3 N216_3 4.2(14) . . . . ?
C233_3 C232_3 C235_3 N216_3 179.7(12) . . . . ?
N216_3 C235_3 N236_3 C195_3 0.6(15) . . . . ?
C232_3 C235_3 N236_3 C195_3 179.6(7) . . . . ?
N196_3 C195_3 N236_3 C235_3 -0.3(10) . . . . ?
C192_3 C195_3 N236_3 C235_3 179.8(6) . . . . ?
C5_4 N1_4 C2_4 C3_4 0.0 . . . . ?
Fe1_4 N1_4 C2_4 C3_4 167(2) . . . . ?
N1_4 C2_4 C3_4 N4_4 0.0 . . . . ?
C2_4 C3_4 N4_4 C6_4 -179.9(5) . . . . ?
C2_4 C3_4 N4_4 C5_4 0.0 . . . . ?
C6_4 N4_4 C5_4 C7_4 -0.2(7) . . . . ?
C3_4 N4_4 C5_4 C7_4 179.9(5) . . . . ?
C6_4 N4_4 C5_4 N1_4 179.9(5) . . . . ?
C3_4 N4_4 C5_4 N1_4 0.0 . . . . ?
C2_4 N1_4 C5_4 C7_4 -179.9(5) . . . . ?
Fe1_4 N1_4 C5_4 C7_4 9.4(14) . . . . ?
C2_4 N1_4 C5_4 N4_4 0.0 . . . . ?
Fe1_4 N1_4 C5_4 N4_4 -170.7(14) . . . . ?
N4_4 C5_4 C7_4 N8_4 177(3) . . . . ?
N1_4 C5_4 C7_4 N8_4 -3(3) . . . . ?
C5_4 C7_4 N8_4 C9_4 170.4(17) . . . . ?
C5_4 C7_4 N8_4 Fe1_4 -4(3) . . . . ?
C7_4 N8_4 C9_4 C10_4 -40(3) . . . . ?
Fe1_4 N8_4 C9_4 C10_4 133.2(15) . . . . ?
C7_4 N8_4 C9_4 C14_4 142(3) . . . . ?
Fe1_4 N8_4 C9_4 C14_4 -45(3) . . . . ?
C14_4 C9_4 C10_4 C11_4 0.0 . . . . ?
N8_4 C9_4 C10_4 C11_4 -177.9(19) . . . . ?
C9_4 C10_4 C11_4 C12_4 0.0 . . . . ?
C10_4 C11_4 C12_4 C13_4 0.0 . . . . ?
C10_4 C11_4 C12_4 C15_4 -177.9(10) . . . . ?
C11_4 C12_4 C13_4 C14_4 0.0 . . . . ?
C15_4 C12_4 C13_4 C14_4 177.9(10) . . . . ?
C12_4 C13_4 C14_4 C9_4 0.0 . . . . ?
C10_4 C9_4 C14_4 C13_4 0.0 . . . . ?
N8_4 C9_4 C14_4 C13_4 177.9(19) . . . . ?
C13_4 C12_4 C15_4 N16_4 9.8(9) . . . . ?
C11_4 C12_4 C15_4 N16_4 -172.3(10) . . . . ?
C13_4 C12_4 C15_4 N36_4 -169.8(10) . . . . ?
C11_4 C12_4 C15_4 N36_4 8.1(11) . . . . ?
N36_4 C15_4 N16_4 C55_4 -0.4(7) . . . . ?
C12_4 C15_4 N16_4 C55_4 180.0(5) . . . . ?
C25_4 N21_4 C22_4 C23_4 0.0 . . . . ?
Fe2_4 N21_4 C22_4 C23_4 179.2(18) . . . . ?
N21_4 C22_4 C23_4 N24_4 0.0 . . . . ?
C22_4 C23_4 N24_4 C26_4 -179.9(5) . . . . ?
C22_4 C23_4 N24_4 C25_4 0.0 . . . . ?
C22_4 N21_4 C25_4 C27_4 -179.8(5) . . . . ?
Fe2_4 N21_4 C25_4 C27_4 0.7(12) . . . . ?
C22_4 N21_4 C25_4 N24_4 0.0 . . . . ?
Fe2_4 N21_4 C25_4 N24_4 -179.4(12) . . . . ?
C26_4 N24_4 C25_4 C27_4 -0.3(7) . . . . ?
C23_4 N24_4 C25_4 C27_4 179.8(5) . . . . ?
C26_4 N24_4 C25_4 N21_4 179.9(4) . . . . ?
C23_4 N24_4 C25_4 N21_4 0.0 . . . . ?
N21_4 C25_4 C27_4 N28_4 1(2) . . . . ?
N24_4 C25_4 C27_4 N28_4 -179(2) . . . . ?
C25_4 C27_4 N28_4 C29_4 163.4(16) . . . . ?
C25_4 C27_4 N28_4 Fe2_4 -2(3) . . . . ?
C27_4 N28_4 C29_4 C34_4 -39(3) . . . . ?
Fe2_4 N28_4 C29_4 C34_4 124.5(14) . . . . ?
C27_4 N28_4 C29_4 C30_4 145(2) . . . . ?
Fe2_4 N28_4 C29_4 C30_4 -52(2) . . . . ?
C34_4 C29_4 C30_4 C31_4 0.0 . . . . ?
N28_4 C29_4 C30_4 C31_4 176.1(19) . . . . ?
C29_4 C30_4 C31_4 C32_4 0.0 . . . . ?
C30_4 C31_4 C32_4 C33_4 0.0 . . . . ?
C30_4 C31_4 C32_4 C35_4 -170.7(12) . . . . ?
C31_4 C32_4 C33_4 C34_4 0.0 . . . . ?
C35_4 C32_4 C33_4 C34_4 170.7(12) . . . . ?
C32_4 C33_4 C34_4 C29_4 0.0 . . . . ?
C30_4 C29_4 C34_4 C33_4 0.0 . . . . ?
N28_4 C29_4 C34_4 C33_4 -176.0(19) . . . . ?
C33_4 C32_4 C35_4 N56_4 10.8(15) . . . . ?
C31_4 C32_4 C35_4 N56_4 -178.5(12) . . . . ?
C33_4 C32_4 C35_4 N36_4 -168.8(12) . . . . ?
C31_4 C32_4 C35_4 N36_4 2.0(15) . . . . ?
N56_4 C35_4 N36_4 C15_4 -0.4(15) . . . . ?
C32_4 C35_4 N36_4 C15_4 179.1(7) . . . . ?
N16_4 C15_4 N36_4 C35_4 0.5(10) . . . . ?
C12_4 C15_4 N36_4 C35_4 -179.9(6) . . . . ?
C45_4 N41_4 C42_4 C43_4 0.0 . . . . ?
Fe3_4 N41_4 C42_4 C43_4 164(2) . . . . ?
N41_4 C42_4 C43_4 N44_4 0.0 . . . . ?
C42_4 C43_4 N44_4 C46_4 -180.0(5) . . . . ?
C42_4 C43_4 N44_4 C45_4 0.0 . . . . ?
C42_4 N41_4 C45_4 C47_4 -179.9(5) . . . . ?
Fe3_4 N41_4 C45_4 C47_4 10.6(14) . . . . ?
C42_4 N41_4 C45_4 N44_4 0.0 . . . . ?
Fe3_4 N41_4 C45_4 N44_4 -169.5(14) . . . . ?
C46_4 N44_4 C45_4 C47_4 -0.1(7) . . . . ?
C43_4 N44_4 C45_4 C47_4 180(100) . . . . ?
C46_4 N44_4 C45_4 N41_4 180.0(5) . . . . ?
C43_4 N44_4 C45_4 N41_4 0.0 . . . . ?
N41_4 C45_4 C47_4 N48_4 -1(3) . . . . ?
N44_4 C45_4 C47_4 N48_4 179(3) . . . . ?
C45_4 C47_4 N48_4 C49_4 174.2(15) . . . . ?
C45_4 C47_4 N48_4 Fe3_4 -9(3) . . . . ?
C47_4 N48_4 C49_4 C50_4 -52(3) . . . . ?
Fe3_4 N48_4 C49_4 C50_4 131.7(15) . . . . ?
C47_4 N48_4 C49_4 C54_4 124(2) . . . . ?
Fe3_4 N48_4 C49_4 C54_4 -52(3) . . . . ?
C54_4 C49_4 C50_4 C51_4 0.0 . . . . ?
N48_4 C49_4 C50_4 C51_4 175.9(19) . . . . ?
C49_4 C50_4 C51_4 C52_4 0.0 . . . . ?
C50_4 C51_4 C52_4 C53_4 0.0 . . . . ?
C50_4 C51_4 C52_4 C55_4 -179.2(13) . . . . ?
C51_4 C52_4 C53_4 C54_4 0.0 . . . . ?
C55_4 C52_4 C53_4 C54_4 179.2(13) . . . . ?
C52_4 C53_4 C54_4 C49_4 0.0 . . . . ?
C50_4 C49_4 C54_4 C53_4 0.0 . . . . ?
N48_4 C49_4 C54_4 C53_4 -175.9(19) . . . . ?
C15_4 N16_4 C55_4 N56_4 0.2(12) . . . . ?
C15_4 N16_4 C55_4 C52_4 -180.0(6) . . . . ?
C51_4 C52_4 C55_4 N16_4 9.2(14) . . . . ?
C53_4 C52_4 C55_4 N16_4 -170.0(11) . . . . ?
C51_4 C52_4 C55_4 N56_4 -170.9(12) . . . . ?
C53_4 C52_4 C55_4 N56_4 9.9(15) . . . . ?
N36_4 C35_4 N56_4 C55_4 0.2(16) . . . . ?
C32_4 C35_4 N56_4 C55_4 -179.3(9) . . . . ?
N16_4 C55_4 N56_4 C35_4 -0.1(15) . . . . ?
C52_4 C55_4 N56_4 C35_4 -180.0(9) . . . . ?
C65_4 N61_4 C62_4 C63_4 0.0 . . . . ?
Fe2_4 N61_4 C62_4 C63_4 169(2) . . . . ?
N61_4 C62_4 C63_4 N64_4 0.0 . . . . ?
C62_4 C63_4 N64_4 C66_4 -180.0(5) . . . . ?
C62_4 C63_4 N64_4 C65_4 0.0 . . . . ?
C66_4 N64_4 C65_4 C67_4 0.0(7) . . . . ?
C63_4 N64_4 C65_4 C67_4 -180.0(5) . . . . ?
C66_4 N64_4 C65_4 N61_4 180.0(4) . . . . ?
C63_4 N64_4 C65_4 N61_4 0.0 . . . . ?
C62_4 N61_4 C65_4 C67_4 180.0(5) . . . . ?
Fe2_4 N61_4 C65_4 C67_4 7.7(14) . . . . ?
C62_4 N61_4 C65_4 N64_4 0.0 . . . . ?
Fe2_4 N61_4 C65_4 N64_4 -172.2(14) . . . . ?
N64_4 C65_4 C67_4 N68_4 179(3) . . . . ?
N61_4 C65_4 C67_4 N68_4 -1(3) . . . . ?
C65_4 C67_4 N68_4 C69_4 171.7(17) . . . . ?
C65_4 C67_4 N68_4 Fe2_4 -6(3) . . . . ?
C67_4 N68_4 C69_4 C70_4 -36(4) . . . . ?
Fe2_4 N68_4 C69_4 C70_4 141.3(15) . . . . ?
C67_4 N68_4 C69_4 C74_4 150(3) . . . . ?
Fe2_4 N68_4 C69_4 C74_4 -33(3) . . . . ?
C74_4 C69_4 C70_4 C71_4 0.0 . . . . ?
N68_4 C69_4 C70_4 C71_4 -174(2) . . . . ?
C69_4 C70_4 C71_4 C72_4 0.0 . . . . ?
C70_4 C71_4 C72_4 C73_4 0.0 . . . . ?
C70_4 C71_4 C72_4 C75_4 -177.1(10) . . . . ?
C71_4 C72_4 C73_4 C74_4 0.0 . . . . ?
C75_4 C72_4 C73_4 C74_4 177.2(10) . . . . ?
C72_4 C73_4 C74_4 C69_4 0.0 . . . . ?
C70_4 C69_4 C74_4 C73_4 0.0 . . . . ?
N68_4 C69_4 C74_4 C73_4 174(2) . . . . ?
C71_4 C72_4 C75_4 N116_4 -3.3(10) . . . . ?
C73_4 C72_4 C75_4 N116_4 179.6(10) . . . . ?
C71_4 C72_4 C75_4 N76_4 176.7(10) . . . . ?
C73_4 C72_4 C75_4 N76_4 -0.5(9) . . . . ?
N116_4 C75_4 N76_4 C95_4 -0.2(7) . . . . ?
C72_4 C75_4 N76_4 C95_4 179.9(5) . . . . ?
C85_4 N81_4 C82_4 C83_4 0.0 . . . . ?
Fe3_4 N81_4 C82_4 C83_4 173(2) . . . . ?
N81_4 C82_4 C83_4 N84_4 0.0 . . . . ?
C82_4 C83_4 N84_4 C86_4 -180.0(5) . . . . ?
C82_4 C83_4 N84_4 C85_4 0.0 . . . . ?
C86_4 N84_4 C85_4 C87_4 0.0(7) . . . . ?
C83_4 N84_4 C85_4 C87_4 -180.0(5) . . . . ?
C86_4 N84_4 C85_4 N81_4 180.0(5) . . . . ?
C83_4 N84_4 C85_4 N81_4 0.0 . . . . ?
C82_4 N81_4 C85_4 C87_4 180.0(5) . . . . ?
Fe3_4 N81_4 C85_4 C87_4 5.0(14) . . . . ?
C82_4 N81_4 C85_4 N84_4 0.0 . . . . ?
Fe3_4 N81_4 C85_4 N84_4 -175.0(14) . . . . ?
N84_4 C85_4 C87_4 N88_4 178(3) . . . . ?
N81_4 C85_4 C87_4 N88_4 -2(3) . . . . ?
C85_4 C87_4 N88_4 C89_4 174.9(17) . . . . ?
C85_4 C87_4 N88_4 Fe3_4 -2(3) . . . . ?
C87_4 N88_4 C89_4 C90_4 -31(3) . . . . ?
Fe3_4 N88_4 C89_4 C90_4 145.4(14) . . . . ?
C87_4 N88_4 C89_4 C94_4 155(2) . . . . ?
Fe3_4 N88_4 C89_4 C94_4 -29(3) . . . . ?
C94_4 C89_4 C90_4 C91_4 0.0 . . . . ?
N88_4 C89_4 C90_4 C91_4 -175(2) . . . . ?
C89_4 C90_4 C91_4 C92_4 0.0 . . . . ?
C90_4 C91_4 C92_4 C93_4 0.0 . . . . ?
C90_4 C91_4 C92_4 C95_4 -178.4(12) . . . . ?
C91_4 C92_4 C93_4 C94_4 0.0 . . . . ?
C95_4 C92_4 C93_4 C94_4 178.4(12) . . . . ?
C92_4 C93_4 C94_4 C89_4 0.0 . . . . ?
C90_4 C89_4 C94_4 C93_4 0.0 . . . . ?
N88_4 C89_4 C94_4 C93_4 175(2) . . . . ?
C75_4 N76_4 C95_4 N96_4 0.3(11) . . . . ?
C75_4 N76_4 C95_4 C92_4 179.7(6) . . . . ?
C93_4 C92_4 C95_4 N96_4 -4.2(14) . . . . ?
C91_4 C92_4 C95_4 N96_4 174.2(11) . . . . ?
C93_4 C92_4 C95_4 N76_4 176.3(11) . . . . ?
C91_4 C92_4 C95_4 N76_4 -5.3(14) . . . . ?
N76_4 C95_4 N96_4 C115_4 -0.5(14) . . . . ?
C92_4 C95_4 N96_4 C115_4 -179.9(9) . . . . ?
C105_4 N101_4 C102_4 C103_4 0.0 . . . . ?
Fe4_4 N101_4 C102_4 C103_4 171(2) . . . . ?
N101_4 C102_4 C103_4 N104_4 0.0 . . . . ?
C102_4 C103_4 N104_4 C106_4 179.9(5) . . . . ?
C102_4 C103_4 N104_4 C105_4 0.0 . . . . ?
C102_4 N101_4 C105_4 C107_4 180.0(5) . . . . ?
Fe4_4 N101_4 C105_4 C107_4 6.0(15) . . . . ?
C102_4 N101_4 C105_4 N104_4 0.0 . . . . ?
Fe4_4 N101_4 C105_4 N104_4 -174.0(15) . . . . ?
C106_4 N104_4 C105_4 C107_4 0.1(7) . . . . ?
C103_4 N104_4 C105_4 C107_4 -180.0(5) . . . . ?
C106_4 N104_4 C105_4 N101_4 -179.9(4) . . . . ?
C103_4 N104_4 C105_4 N101_4 0.0 . . . . ?
N101_4 C105_4 C107_4 N108_4 5(3) . . . . ?
N104_4 C105_4 C107_4 N108_4 -175(3) . . . . ?
C105_4 C107_4 N108_4 C109_4 170.4(18) . . . . ?
C105_4 C107_4 N108_4 Fe4_4 -12(3) . . . . ?
C107_4 N108_4 C109_4 C110_4 148(3) . . . . ?
Fe4_4 N108_4 C109_4 C110_4 -29(3) . . . . ?
C107_4 N108_4 C109_4 C114_4 -38(4) . . . . ?
Fe4_4 N108_4 C109_4 C114_4 145.5(17) . . . . ?
C114_4 C109_4 C110_4 C111_4 0.0 . . . . ?
N108_4 C109_4 C110_4 C111_4 174(2) . . . . ?
C109_4 C110_4 C111_4 C112_4 0.0 . . . . ?
C110_4 C111_4 C112_4 C113_4 0.0 . . . . ?
C110_4 C111_4 C112_4 C115_4 178.1(12) . . . . ?
C111_4 C112_4 C113_4 C114_4 0.0 . . . . ?
C115_4 C112_4 C113_4 C114_4 -178.1(12) . . . . ?
C112_4 C113_4 C114_4 C109_4 0.0 . . . . ?
C110_4 C109_4 C114_4 C113_4 0.0 . . . . ?
N108_4 C109_4 C114_4 C113_4 -174(2) . . . . ?
C95_4 N96_4 C115_4 N116_4 0.7(15) . . . . ?
C95_4 N96_4 C115_4 C112_4 179.8(9) . . . . ?
C111_4 C112_4 C115_4 N116_4 -5.0(14) . . . . ?
C113_4 C112_4 C115_4 N116_4 173.0(12) . . . . ?
C111_4 C112_4 C115_4 N96_4 175.8(12) . . . . ?
C113_4 C112_4 C115_4 N96_4 -6.1(15) . . . . ?
N76_4 C75_4 N116_4 C115_4 0.4(11) . . . . ?
C72_4 C75_4 N116_4 C115_4 -179.7(6) . . . . ?
N96_4 C115_4 N116_4 C75_4 -0.7(15) . . . . ?
C112_4 C115_4 N116_4 C75_4 -179.7(7) . . . . ?
C125_4 N121_4 C122_4 C123_4 0.0 . . . . ?
Fe3_4 N121_4 C122_4 C123_4 179(2) . . . . ?
N121_4 C122_4 C123_4 N124_4 0.0 . . . . ?
C122_4 C123_4 N124_4 C126_4 -179.8(5) . . . . ?
C122_4 C123_4 N124_4 C125_4 0.0 . . . . ?
C122_4 N121_4 C125_4 C127_4 -179.9(5) . . . . ?
Fe3_4 N121_4 C125_4 C127_4 0.8(15) . . . . ?
C122_4 N121_4 C125_4 N124_4 0.0 . . . . ?
Fe3_4 N121_4 C125_4 N124_4 -179.3(15) . . . . ?
C126_4 N124_4 C125_4 C127_4 -0.2(7) . . . . ?
C123_4 N124_4 C125_4 C127_4 179.9(5) . . . . ?
C126_4 N124_4 C125_4 N121_4 179.9(5) . . . . ?
C123_4 N124_4 C125_4 N121_4 0.0 . . . . ?
N121_4 C125_4 C127_4 N128_4 4(3) . . . . ?
N124_4 C125_4 C127_4 N128_4 -176(3) . . . . ?
C125_4 C127_4 N128_4 C129_4 165.0(17) . . . . ?
C125_4 C127_4 N128_4 Fe3_4 -6(3) . . . . ?
C127_4 N128_4 C129_4 C130_4 141(3) . . . . ?
Fe3_4 N128_4 C129_4 C130_4 -49(3) . . . . ?
C127_4 N128_4 C129_4 C134_4 -45(3) . . . . ?
Fe3_4 N128_4 C129_4 C134_4 125.3(17) . . . . ?
C134_4 C129_4 C130_4 C131_4 0.0 . . . . ?
N128_4 C129_4 C130_4 C131_4 174(2) . . . . ?
C129_4 C130_4 C131_4 C132_4 0.0 . . . . ?
C130_4 C131_4 C132_4 C133_4 0.0 . . . . ?
C130_4 C131_4 C132_4 C135_4 -170.9(10) . . . . ?
C131_4 C132_4 C133_4 C134_4 0.0 . . . . ?
C135_4 C132_4 C133_4 C134_4 171.1(10) . . . . ?
C130_4 C129_4 C134_4 C133_4 0.0 . . . . ?
N128_4 C129_4 C134_4 C133_4 -174.2(19) . . . . ?
C132_4 C133_4 C134_4 C129_4 0.0 . . . . ?
C133_4 C132_4 C135_4 N176_4 10.3(11) . . . . ?
C131_4 C132_4 C135_4 N176_4 -178.7(11) . . . . ?
C133_4 C132_4 C135_4 N136_4 -169.8(10) . . . . ?
C131_4 C132_4 C135_4 N136_4 1.2(10) . . . . ?
N176_4 C135_4 N136_4 C155_4 0.1(7) . . . . ?
C132_4 C135_4 N136_4 C155_4 -179.8(5) . . . . ?
C145_4 N141_4 C142_4 C143_4 0.0 . . . . ?
Fe1_4 N141_4 C142_4 C143_4 168.3(19) . . . . ?
N141_4 C142_4 C143_4 N144_4 0.0 . . . . ?
C142_4 C143_4 N144_4 C146_4 -180.0(5) . . . . ?
C142_4 C143_4 N144_4 C145_4 0.0 . . . . ?
C142_4 N141_4 C145_4 C147_4 180.0(5) . . . . ?
Fe1_4 N141_4 C145_4 C147_4 8.2(13) . . . . ?
C142_4 N141_4 C145_4 N144_4 0.0 . . . . ?
Fe1_4 N141_4 C145_4 N144_4 -171.8(13) . . . . ?
C146_4 N144_4 C145_4 C147_4 0.0(7) . . . . ?
C143_4 N144_4 C145_4 C147_4 180(100) . . . . ?
C146_4 N144_4 C145_4 N141_4 180.0(5) . . . . ?
C143_4 N144_4 C145_4 N141_4 0.0 . . . . ?
N141_4 C145_4 C147_4 N148_4 -2(3) . . . . ?
N144_4 C145_4 C147_4 N148_4 178(3) . . . . ?
C145_4 C147_4 N148_4 C149_4 167.7(16) . . . . ?
C145_4 C147_4 N148_4 Fe1_4 -5(3) . . . . ?
C147_4 N148_4 C149_4 C150_4 -37(3) . . . . ?
Fe1_4 N148_4 C149_4 C150_4 133.7(14) . . . . ?
C147_4 N148_4 C149_4 C154_4 141(2) . . . . ?
Fe1_4 N148_4 C149_4 C154_4 -48(3) . . . . ?
C154_4 C149_4 C150_4 C151_4 0.0 . . . . ?
N148_4 C149_4 C150_4 C151_4 178(2) . . . . ?
C149_4 C150_4 C151_4 C152_4 0.0 . . . . ?
C150_4 C151_4 C152_4 C153_4 0.0 . . . . ?
C150_4 C151_4 C152_4 C155_4 179.5(13) . . . . ?
C151_4 C152_4 C153_4 C154_4 0.0 . . . . ?
C155_4 C152_4 C153_4 C154_4 -179.5(12) . . . . ?
C152_4 C153_4 C154_4 C149_4 0.0 . . . . ?
C150_4 C149_4 C154_4 C153_4 0.0 . . . . ?
N148_4 C149_4 C154_4 C153_4 -178(2) . . . . ?
C135_4 N136_4 C155_4 N156_4 -0.3(11) . . . . ?
C135_4 N136_4 C155_4 C152_4 -179.6(7) . . . . ?
C151_4 C152_4 C155_4 N136_4 8.3(15) . . . . ?
C153_4 C152_4 C155_4 N136_4 -172.2(11) . . . . ?
C151_4 C152_4 C155_4 N156_4 -171.0(12) . . . . ?
C153_4 C152_4 C155_4 N156_4 8.5(14) . . . . ?
N136_4 C155_4 N156_4 C175_4 0.2(15) . . . . ?
C152_4 C155_4 N156_4 C175_4 179.5(9) . . . . ?
C165_4 N161_4 C162_4 C163_4 0.0 . . . . ?
Fe4_4 N161_4 C162_4 C163_4 162(2) . . . . ?
N161_4 C162_4 C163_4 N164_4 0.0 . . . . ?
C162_4 C163_4 N164_4 C166_4 179.9(5) . . . . ?
C162_4 C163_4 N164_4 C165_4 0.0 . . . . ?
C166_4 N164_4 C165_4 C167_4 0.0(7) . . . . ?
C163_4 N164_4 C165_4 C167_4 179.9(5) . . . . ?
C166_4 N164_4 C165_4 N161_4 -179.9(5) . . . . ?
C163_4 N164_4 C165_4 N161_4 0.0 . . . . ?
C162_4 N161_4 C165_4 C167_4 -180.0(5) . . . . ?
Fe4_4 N161_4 C165_4 C167_4 12.1(14) . . . . ?
C162_4 N161_4 C165_4 N164_4 0.0 . . . . ?
Fe4_4 N161_4 C165_4 N164_4 -167.9(14) . . . . ?
N164_4 C165_4 C167_4 N168_4 172(3) . . . . ?
N161_4 C165_4 C167_4 N168_4 -8(3) . . . . ?
C165_4 C167_4 N168_4 C169_4 175.4(16) . . . . ?
C165_4 C167_4 N168_4 Fe4_4 -1(3) . . . . ?
C167_4 N168_4 C169_4 C170_4 -49(3) . . . . ?
Fe4_4 N168_4 C169_4 C170_4 126.7(16) . . . . ?
C167_4 N168_4 C169_4 C174_4 128(3) . . . . ?
Fe4_4 N168_4 C169_4 C174_4 -56(3) . . . . ?
C174_4 C169_4 C170_4 C171_4 0.0 . . . . ?
N168_4 C169_4 C170_4 C171_4 177.0(19) . . . . ?
C169_4 C170_4 C171_4 C172_4 0.0 . . . . ?
C170_4 C171_4 C172_4 C173_4 0.0 . . . . ?
C170_4 C171_4 C172_4 C175_4 -176.7(13) . . . . ?
C171_4 C172_4 C173_4 C174_4 0.0 . . . . ?
C175_4 C172_4 C173_4 C174_4 176.7(13) . . . . ?
C172_4 C173_4 C174_4 C169_4 0.0 . . . . ?
C170_4 C169_4 C174_4 C173_4 0.0 . . . . ?
N168_4 C169_4 C174_4 C173_4 -177(2) . . . . ?
C155_4 N156_4 C175_4 N176_4 0.1(16) . . . . ?
C155_4 N156_4 C175_4 C172_4 179.9(9) . . . . ?
C171_4 C172_4 C175_4 N156_4 11.7(15) . . . . ?
C173_4 C172_4 C175_4 N156_4 -165.0(13) . . . . ?
C171_4 C172_4 C175_4 N176_4 -168.5(12) . . . . ?
C173_4 C172_4 C175_4 N176_4 14.8(15) . . . . ?
N136_4 C135_4 N176_4 C175_4 0.2(11) . . . . ?
C132_4 C135_4 N176_4 C175_4 -179.9(7) . . . . ?
N156_4 C175_4 N176_4 C135_4 -0.3(15) . . . . ?
C172_4 C175_4 N176_4 C135_4 179.9(8) . . . . ?
C185_4 N181_4 C182_4 C183_4 0.0 . . . . ?
Fe4_4 N181_4 C182_4 C183_4 177.0(19) . . . . ?
N181_4 C182_4 C183_4 N184_4 0.0 . . . . ?
C182_4 C183_4 N184_4 C186_4 -179.9(5) . . . . ?
C182_4 C183_4 N184_4 C185_4 0.0 . . . . ?
C186_4 N184_4 C185_4 C187_4 -0.2(7) . . . . ?
C183_4 N184_4 C185_4 C187_4 179.9(5) . . . . ?
C186_4 N184_4 C185_4 N181_4 179.9(4) . . . . ?
C183_4 N184_4 C185_4 N181_4 0.0 . . . . ?
C182_4 N181_4 C185_4 C187_4 -179.9(5) . . . . ?
Fe4_4 N181_4 C185_4 C187_4 2.2(13) . . . . ?
C182_4 N181_4 C185_4 N184_4 0.0 . . . . ?
Fe4_4 N181_4 C185_4 N184_4 -177.9(13) . . . . ?
N184_4 C185_4 C187_4 N188_4 179(3) . . . . ?
N181_4 C185_4 C187_4 N188_4 -1(3) . . . . ?
C185_4 C187_4 N188_4 C189_4 165.6(16) . . . . ?
C185_4 C187_4 N188_4 Fe4_4 0(3) . . . . ?
C187_4 N188_4 C189_4 C190_4 145(2) . . . . ?
Fe4_4 N188_4 C189_4 C190_4 -52(3) . . . . ?
C187_4 N188_4 C189_4 C194_4 -39(3) . . . . ?
Fe4_4 N188_4 C189_4 C194_4 124.0(15) . . . . ?
C194_4 C189_4 C190_4 C191_4 0.0 . . . . ?
N188_4 C189_4 C190_4 C191_4 176(2) . . . . ?
C189_4 C190_4 C191_4 C192_4 0.0 . . . . ?
C190_4 C191_4 C192_4 C193_4 0.0 . . . . ?
C190_4 C191_4 C192_4 C195_4 -170.7(10) . . . . ?
C191_4 C192_4 C193_4 C194_4 0.0 . . . . ?
C195_4 C192_4 C193_4 C194_4 170.8(10) . . . . ?
C192_4 C193_4 C194_4 C189_4 0.0 . . . . ?
C190_4 C189_4 C194_4 C193_4 0.0 . . . . ?
N188_4 C189_4 C194_4 C193_4 -176(2) . . . . ?
C193_4 C192_4 C195_4 N236_4 12.1(11) . . . . ?
C191_4 C192_4 C195_4 N236_4 -177.1(11) . . . . ?
C193_4 C192_4 C195_4 N196_4 -168.2(10) . . . . ?
C191_4 C192_4 C195_4 N196_4 2.6(10) . . . . ?
N236_4 C195_4 N196_4 C215_4 -0.3(7) . . . . ?
C192_4 C195_4 N196_4 C215_4 -180.0(5) . . . . ?
C205_4 N201_4 C202_4 C203_4 0.0 . . . . ?
Fe1_4 N201_4 C202_4 C203_4 168.9(18) . . . . ?
N201_4 C202_4 C203_4 N204_4 0.0 . . . . ?
C202_4 C203_4 N204_4 C206_4 -180.0(5) . . . . ?
C202_4 C203_4 N204_4 C205_4 0.0 . . . . ?
C206_4 N204_4 C205_4 C207_4 -0.1(7) . . . . ?
C203_4 N204_4 C205_4 C207_4 179.9(5) . . . . ?
C206_4 N204_4 C205_4 N201_4 180.0(5) . . . . ?
C203_4 N204_4 C205_4 N201_4 0.0 . . . . ?
C202_4 N201_4 C205_4 C207_4 -179.9(5) . . . . ?
Fe1_4 N201_4 C205_4 C207_4 7.8(13) . . . . ?
C202_4 N201_4 C205_4 N204_4 0.0 . . . . ?
Fe1_4 N201_4 C205_4 N204_4 -172.2(12) . . . . ?
N204_4 C205_4 C207_4 N208_4 176(3) . . . . ?
N201_4 C205_4 C207_4 N208_4 -4(3) . . . . ?
C205_4 C207_4 N208_4 C209_4 169.5(17) . . . . ?
C205_4 C207_4 N208_4 Fe1_4 -2(3) . . . . ?
C207_4 N208_4 C209_4 C210_4 -37(3) . . . . ?
Fe1_4 N208_4 C209_4 C210_4 132.6(15) . . . . ?
C207_4 N208_4 C209_4 C214_4 142(2) . . . . ?
Fe1_4 N208_4 C209_4 C214_4 -48(3) . . . . ?
C214_4 C209_4 C210_4 C211_4 0.0 . . . . ?
N208_4 C209_4 C210_4 C211_4 179(2) . . . . ?
C209_4 C210_4 C211_4 C212_4 0.0 . . . . ?
C210_4 C211_4 C212_4 C213_4 0.0 . . . . ?
C210_4 C211_4 C212_4 C215_4 -179.8(13) . . . . ?
C211_4 C212_4 C213_4 C214_4 0.0 . . . . ?
C215_4 C212_4 C213_4 C214_4 179.8(13) . . . . ?
C212_4 C213_4 C214_4 C209_4 0.0 . . . . ?
C210_4 C209_4 C214_4 C213_4 0.0 . . . . ?
N208_4 C209_4 C214_4 C213_4 -179(2) . . . . ?
C195_4 N196_4 C215_4 N216_4 -0.2(12) . . . . ?
C195_4 N196_4 C215_4 C212_4 -179.7(6) . . . . ?
C213_4 C212_4 C215_4 N196_4 -171.4(11) . . . . ?
C211_4 C212_4 C215_4 N196_4 8.4(15) . . . . ?
C213_4 C212_4 C215_4 N216_4 9.0(15) . . . . ?
C211_4 C212_4 C215_4 N216_4 -171.2(12) . . . . ?
N196_4 C215_4 N216_4 C235_4 0.2(15) . . . . ?
C212_4 C215_4 N216_4 C235_4 179.7(9) . . . . ?
C225_4 N221_4 C222_4 C223_4 0.0 . . . . ?
Fe2_4 N221_4 C222_4 C223_4 167(2) . . . . ?
N221_4 C222_4 C223_4 N224_4 0.0 . . . . ?
C222_4 C223_4 N224_4 C226_4 -180.0(5) . . . . ?
C222_4 C223_4 N224_4 C225_4 0.0 . . . . ?
C226_4 N224_4 C225_4 C227_4 -0.1(7) . . . . ?
C223_4 N224_4 C225_4 C227_4 179.9(5) . . . . ?
C226_4 N224_4 C225_4 N221_4 180.0(5) . . . . ?
C223_4 N224_4 C225_4 N221_4 0.0 . . . . ?
C222_4 N221_4 C225_4 C227_4 -180.0(5) . . . . ?
Fe2_4 N221_4 C225_4 C227_4 8.9(16) . . . . ?
C222_4 N221_4 C225_4 N224_4 0.0 . . . . ?
Fe2_4 N221_4 C225_4 N224_4 -171.2(15) . . . . ?
N224_4 C225_4 C227_4 N228_4 174(3) . . . . ?
N221_4 C225_4 C227_4 N228_4 -6(3) . . . . ?
C225_4 C227_4 N228_4 C229_4 173.3(17) . . . . ?
C225_4 C227_4 N228_4 Fe2_4 0(4) . . . . ?
C227_4 N228_4 C229_4 C230_4 -46(3) . . . . ?
Fe2_4 N228_4 C229_4 C230_4 126.3(17) . . . . ?
C227_4 N228_4 C229_4 C234_4 128(3) . . . . ?
Fe2_4 N228_4 C229_4 C234_4 -60(3) . . . . ?
C234_4 C229_4 C230_4 C231_4 0.0 . . . . ?
N228_4 C229_4 C230_4 C231_4 174.2(19) . . . . ?
C229_4 C230_4 C231_4 C232_4 0.0 . . . . ?
C230_4 C231_4 C232_4 C233_4 0.0 . . . . ?
C230_4 C231_4 C232_4 C235_4 -178.7(13) . . . . ?
C231_4 C232_4 C233_4 C234_4 0.0 . . . . ?
C235_4 C232_4 C233_4 C234_4 178.6(13) . . . . ?
C232_4 C233_4 C234_4 C229_4 0.0 . . . . ?
C230_4 C229_4 C234_4 C233_4 0.0 . . . . ?
N228_4 C229_4 C234_4 C233_4 -174.1(19) . . . . ?
C215_4 N216_4 C235_4 N236_4 0.2(16) . . . . ?
C215_4 N216_4 C235_4 C232_4 180.0(9) . . . . ?
C233_4 C232_4 C235_4 N236_4 11.8(15) . . . . ?
C231_4 C232_4 C235_4 N236_4 -169.6(12) . . . . ?
C233_4 C232_4 C235_4 N216_4 -168.0(12) . . . . ?
C231_4 C232_4 C235_4 N216_4 10.7(15) . . . . ?
N196_4 C195_4 N236_4 C235_4 0.6(11) . . . . ?
C192_4 C195_4 N236_4 C235_4 -179.7(6) . . . . ?
N216_4 C235_4 N236_4 C195_4 -0.5(15) . . . . ?
C232_4 C235_4 N236_4 C195_4 179.7(8) . . . . ?

_refine_diff_density_max         0.470
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.062




_exptl_crystal_recrystallization_method 
'slow diffusion of diethylether into an acetonitrile solution'
