data_mhw01_sq
# start Validation Reply Form
_vrf_THETM01_mhw01_sq
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Despite the use of a long exposure time per 
degree for high resolution data on a microfocus sealed X-ray source, few 
reflections at greater than 1.0 A were observed and the data was 
trimmed accordingly. 
;
_vrf_PLAT084_mhw01_sq
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.52 Report
RESPONSE: The crystal rapidly loses solvent after removal from the
mother liquor, resulting in poor crystal quality. Nevertheless geometry and
ADP restraints ensure a chemically and physically meaningful structural
model.
;
_vrf_PLAT973_mhw01_sq
;
PROBLEM: Check Calcd Positive Resid. Density on     Pd2_1       2.27 eA-3
                Check Calcd Positive Resid. Density on     Pd1_1       2.13 eA-3
                Check Calcd Positive Resid. Density on     Pd5_1       1.90 eA-3  
                Check Calcd Positive Resid. Density on     Pd6_1       1.76 eA-3
                Check Calcd Positive Resid. Density on     Pd4_1       1.75 eA-3
                Check Calcd Positive Resid. Density on     Pd3_1       1.63 eA-3
RESPONSE: The large residual hole is around the Pd atoms center,
probably due to difficulties in absorption correction. 
;
# end Validation Reply Form
_audit_author_name                ?
_audit_author_email               ?
_audit_author_address             ?
_audit_creation_method
;FinalCif V156 by Daniel Kratzert, Freiburg 2026, 
https://dkratzert.de/finalcif.html
;
_publ_section_references
;Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_shelx_SHELXL_version_number      '2019/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_formula_sum             'C280 H192 B4.60 F18.40 N24 O40 P8 Pd6 S8'
_chemical_formula_moiety          ?
_chemical_formula_weight          6074.53
_chemical_melting_point           ?
_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                    24.5588(14)
_cell_length_b                    25.8908(15)
_cell_length_c                    34.1752(18)
_cell_angle_alpha                 85.542(3)
_cell_angle_beta                  84.761(4)
_cell_angle_gamma                 83.319(3)
_cell_volume                      21443(2)
_cell_formula_units_Z             2
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     79233
_cell_measurement_theta_min       1.225
_cell_measurement_theta_max       24.996
_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     0.941
_exptl_crystal_F_000              6145
_exptl_crystal_size_max           0.2
_exptl_crystal_size_mid           0.2
_exptl_crystal_size_min           0.2
_exptl_absorpt_coefficient_mu     0.371
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.0105
_exptl_absorpt_correction_T_max   0.0818
_exptl_absorpt_process_details
;SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details    ?
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_special_details            ?
_diffrn_ambient_temperature       100(2)
_diffrn_ambient_environment       N~2~
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.710
_diffrn_radiation_monochromator   'mirror optics'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 800'
_diffrn_radiation_probe           x-ray
_diffrn_source                    'microfocus sealed X-ray tube'
_diffrn_source_type               'Incoatec I\ms'
_diffrn_source_voltage            ?
_diffrn_source_current            ?
_diffrn_detector                  CPAD
_diffrn_detector_type             'Bruker PHOTON III'
_diffrn_detector_area_resol_mean  7.41
_diffrn_measurement_device        'three-circle diffractometer'
_diffrn_measurement_device_type   'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method        'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number             588126
_diffrn_reflns_av_unetI/netI      0.0597
_diffrn_reflns_av_R_equivalents   0.1138
_diffrn_reflns_theta_min          0.837
_diffrn_reflns_theta_max          20.793
_diffrn_reflns_theta_full         20.793
_diffrn_reflns_limit_h_min        -24
_diffrn_reflns_limit_h_max        24
_diffrn_reflns_limit_k_min        -25
_diffrn_reflns_limit_k_max        25
_diffrn_reflns_limit_l_min        -34
_diffrn_reflns_limit_l_max        34
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total              44832
_reflns_number_gt                 20672
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXT (G. Sheldrick)'
_computing_structure_refinement   'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details      'w=1/[σ²(Fo²)+(0.3000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_number_reflns          44832
_refine_ls_number_parameters      3520
_refine_ls_number_restraints      7414
_refine_ls_R_factor_all           0.1876
_refine_ls_R_factor_gt            0.1407
_refine_ls_wR_factor_ref          0.5240
_refine_ls_wR_factor_gt           0.4246
_refine_ls_goodness_of_fit_ref    1.349
_refine_ls_restrained_S_all       1.297
_refine_ls_shift/su_max           0.007
_refine_ls_shift/su_mean          0.000
_refine_diff_density_max          2.066
_refine_diff_density_min          -1.520
_refine_diff_density_rms          0.097
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .

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'
'Pd' 'Pd' -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'S'  'S'  0.1246  0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P'  'P'  0.1023  0.0942 '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'
'B'  'B'  0.0013  0.0007 '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'

_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_
_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
Pd1_1  Pd 0.26986(5)  0.72126(5)  0.52902(3)  0.1318(4)  Uani 1   1 d    . . . . .
Pd2_1  Pd -0.03325(5) 1.03173(4)  0.27463(3)  0.1224(4)  Uani 1   1 d    . . . . .
Pd3_1  Pd 0.51907(5)  0.98382(5)  0.22102(4)  0.1424(4)  Uani 1   1 d    . . . . .
Pd4_1  Pd 0.52882(6)  0.46545(5)  0.22475(4)  0.1410(4)  Uani 1   1 d    . . . . .
Pd5_1  Pd -0.01850(5) 0.51233(5)  0.27716(4)  0.1375(4)  Uani 1   1 d    . . . . .
Pd6_1  Pd 0.22594(6)  0.77446(5)  -0.03091(3) 0.1406(4)  Uani 1   1 d    . . . . .
N1_2   N  0.1905(4)   0.7533(4)   0.5366(3)   0.138(3)   Uani 1   1 d    D U . . .
C2_2   C  0.1655(5)   0.7588(6)   0.5724(3)   0.152(4)   Uani 1   1 d    D U . . .
H2_2   H  0.184990    0.746365    0.594631    0.183      Uiso 1   1 calc R U . . .
C3_2   C  0.1118(5)   0.7822(6)   0.5786(3)   0.150(4)   Uani 1   1 d    D U . . .
H3_2   H  0.095281    0.787378    0.604403    0.180      Uiso 1   1 calc R U . . .
C4_2   C  0.0830(5)   0.7979(6)   0.5457(3)   0.144(4)   Uani 1   1 d    D U . . .
H4_2   H  0.045612    0.812352    0.548705    0.173      Uiso 1   1 calc R U . . .
C5_2   C  0.1093(4)   0.7921(4)   0.5085(3)   0.133(4)   Uani 1   1 d    D U . . .
C6_2   C  0.1630(4)   0.7689(4)   0.5054(3)   0.138(4)   Uani 1   1 d    D U . . .
H6_2   H  0.180845    0.764005    0.479880    0.166      Uiso 1   1 calc R U . . .
C7_2   C  0.0810(5)   0.8099(5)   0.4723(3)   0.137(4)   Uani 1   1 d    D U . . .
C8_2   C  0.0499(6)   0.8578(5)   0.4693(4)   0.149(4)   Uani 1   1 d    D U . . .
H8_2   H  0.044393    0.878607    0.491302    0.179      Uiso 1   1 calc R U . . .
C9_2   C  0.0256(6)   0.8769(5)   0.4334(4)   0.142(4)   Uani 1   1 d    D U . . .
H9_2   H  0.005293    0.910397    0.431531    0.170      Uiso 1   1 calc R U . . .
C10_2  C  0.0316(5)   0.8472(5)   0.4028(3)   0.131(3)   Uani 1   1 d    D U . . .
C11_2  C  0.0631(5)   0.7973(5)   0.4061(4)   0.135(4)   Uani 1   1 d    D U . . .
C12_2  C  0.0832(5)   0.7778(5)   0.4410(4)   0.134(4)   Uani 1   1 d    D U . . .
O13_2  O  0.1038(4)   0.7248(4)   0.4458(3)   0.139(3)   Uani 1   1 d    D U . . .
C14_2  C  0.0764(5)   0.6888(4)   0.4315(4)   0.137(4)   Uani 1   1 d    D U . . .
C15_2  C  0.0646(7)   0.6454(5)   0.4535(4)   0.157(4)   Uani 1   1 d    D U . . .
H15_2  H  0.076626    0.637879    0.479192    0.188      Uiso 1   1 calc R U . . .
C16_2  C  0.0335(7)   0.6114(6)   0.4366(4)   0.158(5)   Uani 1   1 d    D U . . .
H16_2  H  0.027534    0.579534    0.451242    0.190      Uiso 1   1 calc R U . . .
C17_2  C  0.0113(5)   0.6201(5)   0.4010(4)   0.147(4)   Uani 1   1 d    D U . . .
C18_2  C  0.0206(6)   0.6675(5)   0.3790(4)   0.144(4)   Uani 1   1 d    D U . . .
C19_2  C  0.0560(5)   0.6997(5)   0.3937(4)   0.138(3)   Uani 1   1 d    D U . . .
P20_2  P  0.06966(18) 0.75730(15) 0.36575(11) 0.1290(11) Uani 1   1 d    D U . . .
C21_2  C  0.0025(5)   0.7734(5)   0.3507(3)   0.139(3)   Uani 1   1 d    D U . . .
C22_2  C  -0.0295(5)  0.7355(5)   0.3421(4)   0.142(4)   Uani 1   1 d    D U . . .
C23_2  C  -0.0826(6)  0.7482(5)   0.3325(5)   0.144(4)   Uani 1   1 d    D U . . .
H23_2  H  -0.105795   0.722081    0.329480    0.172      Uiso 1   1 calc R U . . .
C24_2  C  -0.1012(6)  0.8017(5)   0.3272(5)   0.158(5)   Uani 1   1 d    D U . . .
H24_2  H  -0.135083   0.811134    0.315798    0.189      Uiso 1   1 calc R U . . .
C25_2  C  -0.0732(5)  0.8414(4)   0.3375(4)   0.146(4)   Uani 1   1 d    D U . . .
C26_2  C  -0.0210(6)  0.8253(5)   0.3517(3)   0.138(4)   Uani 1   1 d    D U . . .
O27_2  O  0.0049(4)   0.8628(4)   0.3692(3)   0.138(3)   Uani 1   1 d    D U . . .
O28_2  O  -0.0084(4)  0.6832(3)   0.3456(3)   0.146(3)   Uani 1   1 d    D U . . .
O29_2  O  0.1172(4)   0.7571(4)   0.3369(3)   0.144(3)   Uani 1   1 d    D U . . .
C30_2  C  -0.0964(5)  0.8967(3)   0.3312(3)   0.138(4)   Uani 1   1 d    D U . . .
C31_2  C  -0.1503(5)  0.9135(5)   0.3427(4)   0.155(5)   Uani 1   1 d    D U . . .
H31_2  H  -0.173388   0.890005    0.356479    0.186      Uiso 1   1 calc R U . . .
C32_2  C  -0.1709(5)  0.9650(5)   0.3340(4)   0.164(5)   Uani 1   1 d    D U . . .
H32_2  H  -0.208179   0.977105    0.341286    0.196      Uiso 1   1 calc R U . . .
C33_2  C  -0.1355(5)  0.9981(5)   0.3144(4)   0.153(5)   Uani 1   1 d    D U . . .
H33_2  H  -0.149288   1.033215    0.307715    0.183      Uiso 1   1 calc R U . . .
N34_2  N  -0.0827(4)  0.9824(4)   0.3044(3)   0.127(3)   Uani 1   1 d    D U . . .
C35_2  C  -0.0637(5)  0.9332(4)   0.3130(4)   0.131(3)   Uani 1   1 d    D U . . .
H35_2  H  -0.025849   0.922483    0.306348    0.157      Uiso 1   1 calc R U . . .
C36_2  C  -0.0220(5)  0.5830(5)   0.3858(3)   0.150(4)   Uani 1   1 d    D U . . .
C37_2  C  -0.0633(5)  0.5608(6)   0.4099(4)   0.156(5)   Uani 1   1 d    D U . . .
H37_2  H  -0.072878   0.570922    0.435969    0.188      Uiso 1   1 calc R U . . .
C38_2  C  -0.0900(6)  0.5237(6)   0.3945(4)   0.181(6)   Uani 1   1 d    D U . . .
H38_2  H  -0.117655   0.507075    0.410311    0.218      Uiso 1   1 calc R U . . .
C39_2  C  -0.0762(6)  0.5112(6)   0.3562(4)   0.172(6)   Uani 1   1 d    D U . . .
H39_2  H  -0.095145   0.485866    0.346069    0.207      Uiso 1   1 calc R U . . .
N40_2  N  -0.0376(5)  0.5327(5)   0.3328(3)   0.144(3)   Uani 1   1 d    D U . . .
C41_2  C  -0.0117(5)  0.5686(5)   0.3477(3)   0.145(4)   Uani 1   1 d    D U . . .
H41_2  H  0.015240    0.584972    0.331019    0.175      Uiso 1   1 calc R U . . .
N1_3   N  0.2953(5)   0.7922(4)   0.5250(3)   0.148(4)   Uani 1   1 d    D U . . .
C2_3   C  0.3081(7)   0.8134(6)   0.5568(4)   0.160(5)   Uani 1   1 d    D U . . .
H2_3   H  0.301601    0.795363    0.581804    0.192      Uiso 1   1 calc R U . . .
C3_3   C  0.3302(7)   0.8599(6)   0.5555(4)   0.166(5)   Uani 1   1 d    D U . . .
H3_3   H  0.342804    0.871767    0.578283    0.200      Uiso 1   1 calc R U . . .
C4_3   C  0.3335(7)   0.8889(6)   0.5198(3)   0.167(5)   Uani 1   1 d    D U . . .
H4_3   H  0.344193    0.923156    0.518312    0.200      Uiso 1   1 calc R U . . .
C5_3   C  0.3208(5)   0.8674(4)   0.4859(3)   0.141(4)   Uani 1   1 d    D U . . .
C6_3   C  0.3012(5)   0.8193(4)   0.4902(3)   0.136(4)   Uani 1   1 d    D U . . .
H6_3   H  0.291506    0.804694    0.467455    0.163      Uiso 1   1 calc R U . . .
C7_3   C  0.3307(5)   0.8947(5)   0.4465(3)   0.142(4)   Uani 1   1 d    D U . . .
C8_3   C  0.3785(5)   0.9151(6)   0.4337(4)   0.148(4)   Uani 1   1 d    D U . . .
H8_3   H  0.407067    0.911528    0.451069    0.177      Uiso 1   1 calc R U . . .
C9_3   C  0.3883(6)   0.9412(7)   0.3963(4)   0.160(5)   Uani 1   1 d    D U . . .
H9_3   H  0.420610    0.958004    0.389970    0.192      Uiso 1   1 calc R U . . .
C10_3  C  0.3507(6)   0.9417(5)   0.3698(4)   0.150(4)   Uani 1   1 d    D U . . .
C11_3  C  0.3019(5)   0.9185(5)   0.3800(4)   0.137(4)   Uani 1   1 d    D U . . .
C12_3  C  0.2900(5)   0.8981(5)   0.4191(4)   0.137(4)   Uani 1   1 d    D U . . .
O13_3  O  0.2375(4)   0.8863(4)   0.4300(3)   0.143(3)   Uani 1   1 d    D U . . .
C14_3  C  0.1927(5)   0.9187(5)   0.4168(4)   0.142(4)   Uani 1   1 d    D U . . .
C15_3  C  0.1482(5)   0.9319(5)   0.4419(4)   0.137(4)   Uani 1   1 d    D U . . .
H15_3  H  0.145893    0.917986    0.468484    0.165      Uiso 1   1 calc R U . . .
C16_3  C  0.1050(5)   0.9672(5)   0.4271(3)   0.130(4)   Uani 1   1 d    D U . . .
H16_3  H  0.073456    0.976500    0.444403    0.156      Uiso 1   1 calc R U . . .
C17_3  C  0.1068(4)   0.9887(4)   0.3886(3)   0.132(3)   Uani 1   1 d    D U . . .
C18_3  C  0.1550(5)   0.9752(5)   0.3642(3)   0.136(4)   Uani 1   1 d    D U . . .
C19_3  C  0.1966(5)   0.9375(5)   0.3767(4)   0.141(4)   Uani 1   1 d    D U . . .
P20_3  P  0.25313(16) 0.91912(16) 0.34614(11) 0.1306(11) Uani 1   1 d    D U . . .
C21_3  C  0.2624(6)   0.9804(5)   0.3244(4)   0.144(4)   Uani 1   1 d    D U . . .
C22_3  C  0.2161(5)   1.0169(5)   0.3154(4)   0.149(4)   Uani 1   1 d    D U . . .
C23_3  C  0.2213(6)   1.0646(5)   0.2973(5)   0.152(5)   Uani 1   1 d    D U . . .
H23_3  H  0.190107    1.088316    0.291442    0.183      Uiso 1   1 calc R U . . .
C24_3  C  0.2759(5)   1.0773(6)   0.2874(5)   0.159(5)   Uani 1   1 d    D U . . .
H24_3  H  0.280625    1.110358    0.274250    0.191      Uiso 1   1 calc R U . . .
C25_3  C  0.3225(4)   1.0442(5)   0.2959(4)   0.150(4)   Uani 1   1 d    D U . . .
C26_3  C  0.3163(6)   0.9966(5)   0.3168(4)   0.154(4)   Uani 1   1 d    D U . . .
O27_3  O  0.3599(4)   0.9646(4)   0.3324(3)   0.156(3)   Uani 1   1 d    D U . . .
O28_3  O  0.1637(4)   1.0029(4)   0.3274(3)   0.141(3)   Uani 1   1 d    D U . . .
O29_3  O  0.2523(4)   0.8744(4)   0.3208(3)   0.145(3)   Uani 1   1 d    D U . . .
C30_3  C  0.3783(4)   1.0596(5)   0.2829(4)   0.152(4)   Uani 1   1 d    D U . . .
C31_3  C  0.3913(6)   1.1100(5)   0.2852(5)   0.190(7)   Uani 1   1 d    D U . . .
H31_3  H  0.365478    1.135182    0.297611    0.228      Uiso 1   1 calc R U . . .
C32_3  C  0.4424(6)   1.1235(5)   0.2692(5)   0.203(8)   Uani 1   1 d    D U . . .
H32_3  H  0.452072    1.157805    0.270274    0.244      Uiso 1   1 calc R U . . .
C33_3  C  0.4782(6)   1.0857(5)   0.2517(6)   0.182(6)   Uani 1   1 d    D U . . .
H33_3  H  0.513153    1.094597    0.240911    0.219      Uiso 1   1 calc R U . . .
N34_3  N  0.4664(4)   1.0372(4)   0.2490(4)   0.149(4)   Uani 1   1 d    D U . . .
C35_3  C  0.4181(5)   1.0240(5)   0.2655(5)   0.156(5)   Uani 1   1 d    D U . . .
H35_3  H  0.410599    0.988860    0.265310    0.187      Uiso 1   1 calc R U . . .
C36_3  C  0.0608(4)   1.0248(4)   0.3733(3)   0.131(3)   Uani 1   1 d    D U . . .
C37_3  C  0.0373(5)   1.0674(5)   0.3941(4)   0.150(4)   Uani 1   1 d    D U . . .
H37_3  H  0.051520    1.075076    0.417609    0.180      Uiso 1   1 calc R U . . .
C38_3  C  -0.0080(5)  1.0985(5)   0.3792(4)   0.156(5)   Uani 1   1 d    D U . . .
H38_3  H  -0.025454   1.127371    0.392781    0.187      Uiso 1   1 calc R U . . .
C39_3  C  -0.0266(5)  1.0864(5)   0.3446(4)   0.143(4)   Uani 1   1 d    D U . . .
H39_3  H  -0.057257   1.107475    0.334654    0.171      Uiso 1   1 calc R U . . .
N40_3  N  -0.0036(4)  1.0470(4)   0.3246(3)   0.129(3)   Uani 1   1 d    D U . . .
C41_3  C  0.0386(5)   1.0165(5)   0.3387(3)   0.127(3)   Uani 1   1 d    D U . . .
H41_3  H  0.054234    0.987559    0.324380    0.153      Uiso 1   1 calc R U . . .
N1_4   N  0.3492(4)   0.6893(5)   0.5196(3)   0.149(4)   Uani 1   1 d    D U . . .
C2_4   C  0.3794(6)   0.6729(7)   0.5490(4)   0.171(6)   Uani 1   1 d    D U . . .
H2_4   H  0.363895    0.678614    0.574992    0.205      Uiso 1   1 calc R U . . .
C3_4   C  0.4319(6)   0.6482(8)   0.5444(4)   0.189(7)   Uani 1   1 d    D U . . .
H3_4   H  0.452093    0.636530    0.566397    0.227      Uiso 1   1 calc R U . . .
C4_4   C  0.4539(6)   0.6408(8)   0.5063(3)   0.186(7)   Uani 1   1 d    D U . . .
H4_4   H  0.490665    0.625096    0.501751    0.223      Uiso 1   1 calc R U . . .
C5_4   C  0.4229(5)   0.6563(5)   0.4748(3)   0.151(4)   Uani 1   1 d    D U . . .
C6_4   C  0.3708(5)   0.6812(5)   0.4830(3)   0.144(4)   Uani 1   1 d    D U . . .
H6_4   H  0.349356    0.693116    0.461684    0.173      Uiso 1   1 calc R U . . .
C7_4   C  0.4442(5)   0.6466(5)   0.4338(3)   0.139(4)   Uani 1   1 d    D U . . .
C8_4   C  0.4732(7)   0.5989(6)   0.4250(4)   0.164(5)   Uani 1   1 d    D U . . .
H8_4   H  0.479607    0.572895    0.445713    0.197      Uiso 1   1 calc R U . . .
C9_4   C  0.4934(7)   0.5880(6)   0.3860(4)   0.161(5)   Uani 1   1 d    D U . . .
H9_4   H  0.513918    0.555464    0.380808    0.194      Uiso 1   1 calc R U . . .
C10_4  C  0.4829(6)   0.6246(5)   0.3562(4)   0.157(5)   Uani 1   1 d    D U . . .
C11_4  C  0.4550(5)   0.6737(5)   0.3638(4)   0.139(4)   Uani 1   1 d    D U . . .
C12_4  C  0.4387(5)   0.6855(5)   0.4040(4)   0.129(3)   Uani 1   1 d    D U . . .
O13_4  O  0.4201(4)   0.7364(4)   0.4121(3)   0.145(3)   Uani 1   1 d    D U . . .
C14_4  C  0.4493(6)   0.7751(5)   0.3920(4)   0.151(4)   Uani 1   1 d    D U . . .
C15_4  C  0.4641(7)   0.8140(5)   0.4114(4)   0.156(5)   Uani 1   1 d    D U . . .
H15_4  H  0.453607    0.816397    0.438672    0.187      Uiso 1   1 calc R U . . .
C16_4  C  0.4960(8)   0.8516(6)   0.3900(4)   0.165(5)   Uani 1   1 d    D U . . .
H16_4  H  0.507151    0.878263    0.404020    0.198      Uiso 1   1 calc R U . . .
C17_4  C  0.5111(6)   0.8512(5)   0.3504(4)   0.170(5)   Uani 1   1 d    D U . . .
C18_4  C  0.4979(6)   0.8094(5)   0.3309(4)   0.149(4)   Uani 1   1 d    D U . . .
C19_4  C  0.4645(5)   0.7725(5)   0.3515(4)   0.141(4)   Uani 1   1 d    D U . . .
P20_4  P  0.44585(18) 0.72175(16) 0.32670(12) 0.1371(12) Uani 1   1 d    D U . . .
C21_4  C  0.5108(5)   0.7067(5)   0.3007(3)   0.138(4)   Uani 1   1 d    D U . . .
C22_4  C  0.5409(5)   0.7487(5)   0.2863(4)   0.152(4)   Uani 1   1 d    D U . . .
C23_4  C  0.5908(6)   0.7386(5)   0.2661(6)   0.167(5)   Uani 1   1 d    D U . . .
H23_4  H  0.613018    0.765528    0.257306    0.200      Uiso 1   1 calc R U . . .
C24_4  C  0.6080(6)   0.6857(5)   0.2586(5)   0.155(5)   Uani 1   1 d    D U . . .
H24_4  H  0.640904    0.678365    0.242196    0.186      Uiso 1   1 calc R U . . .
C25_4  C  0.5805(5)   0.6447(4)   0.2734(4)   0.147(4)   Uani 1   1 d    D U . . .
C26_4  C  0.5318(6)   0.6550(6)   0.2971(4)   0.153(5)   Uani 1   1 d    D U . . .
O27_4  O  0.5050(4)   0.6161(4)   0.3178(3)   0.150(3)   Uani 1   1 d    D U . . .
O28_4  O  0.5202(4)   0.7999(4)   0.2933(3)   0.148(3)   Uani 1   1 d    D U . . .
O29_4  O  0.3950(4)   0.7289(4)   0.3048(3)   0.143(3)   Uani 1   1 d    D U . . .
C30_4  C  0.6022(5)   0.5910(4)   0.2639(4)   0.160(5)   Uani 1   1 d    D U . . .
C31_4  C  0.6580(5)   0.5740(5)   0.2616(5)   0.182(6)   Uani 1   1 d    D U . . .
H31_4  H  0.683693    0.595765    0.268476    0.218      Uiso 1   1 calc R U . . .
C32_4  C  0.6756(6)   0.5244(6)   0.2491(5)   0.200(7)   Uani 1   1 d    D U . . .
H32_4  H  0.713579    0.511842    0.246919    0.240      Uiso 1   1 calc R U . . .
C33_4  C  0.6369(6)   0.4943(6)   0.2399(5)   0.184(6)   Uani 1   1 d    D U . . .
H33_4  H  0.649255    0.460872    0.230700    0.220      Uiso 1   1 calc R U . . .
N34_4  N  0.5830(5)   0.5090(4)   0.2431(4)   0.147(4)   Uani 1   1 d    D U . . .
C35_4  C  0.5661(5)   0.5571(4)   0.2546(4)   0.153(4)   Uani 1   1 d    D U . . .
H35_4  H  0.527789    0.568398    0.256613    0.183      Uiso 1   1 calc R U . . .
C36_4  C  0.5409(6)   0.8925(5)   0.3282(4)   0.177(5)   Uani 1   1 d    D U . . .
C37_4  C  0.5838(7)   0.9125(6)   0.3434(4)   0.189(6)   Uani 1   1 d    D U . . .
H37_4  H  0.596743    0.898835    0.367845    0.227      Uiso 1   1 calc R U . . .
C38_4  C  0.6074(6)   0.9534(6)   0.3218(5)   0.198(7)   Uani 1   1 d    D U . . .
H38_4  H  0.636700    0.968318    0.331365    0.238      Uiso 1   1 calc R U . . .
C39_4  C  0.5876(7)   0.9717(6)   0.2864(5)   0.183(6)   Uani 1   1 d    D U . . .
H39_4  H  0.604735    0.998934    0.271605    0.220      Uiso 1   1 calc R U . . .
N40_4  N  0.5454(5)   0.9533(5)   0.2715(3)   0.157(4)   Uani 1   1 d    D U . . .
C41_4  C  0.5240(6)   0.9131(5)   0.2918(4)   0.151(4)   Uani 1   1 d    D U . . .
H41_4  H  0.495935    0.897826    0.280866    0.181      Uiso 1   1 calc R U . . .
N1_5   N  0.2422(5)   0.6496(4)   0.5325(3)   0.146(3)   Uani 1   1 d    D U . . .
C2_5   C  0.2350(7)   0.6219(6)   0.5668(4)   0.163(5)   Uani 1   1 d    D U . . .
H2_5   H  0.243158    0.636555    0.589932    0.195      Uiso 1   1 calc R U . . .
C3_5   C  0.2167(7)   0.5733(6)   0.5708(4)   0.167(5)   Uani 1   1 d    D U . . .
H3_5   H  0.210786    0.555675    0.596059    0.200      Uiso 1   1 calc R U . . .
C4_5   C  0.2069(6)   0.5507(5)   0.5366(3)   0.161(5)   Uani 1   1 d    D U . . .
H4_5   H  0.196094    0.516528    0.537832    0.193      Uiso 1   1 calc R U . . .
C5_5   C  0.2133(5)   0.5791(4)   0.5010(3)   0.152(4)   Uani 1   1 d    D U . . .
C6_5   C  0.2316(5)   0.6280(4)   0.5003(3)   0.143(4)   Uani 1   1 d    D U . . .
H6_5   H  0.236842    0.647039    0.475562    0.172      Uiso 1   1 calc R U . . .
C7_5   C  0.1989(5)   0.5599(5)   0.4638(3)   0.139(4)   Uani 1   1 d    D U . . .
C8_5   C  0.1494(6)   0.5409(6)   0.4606(4)   0.152(4)   Uani 1   1 d    D U . . .
H8_5   H  0.124146    0.540186    0.483397    0.183      Uiso 1   1 calc R U . . .
C9_5   C  0.1337(6)   0.5225(6)   0.4262(4)   0.146(4)   Uani 1   1 d    D U . . .
H9_5   H  0.100302    0.507298    0.426017    0.175      Uiso 1   1 calc R U . . .
C10_5  C  0.1688(5)   0.5275(5)   0.3928(3)   0.140(4)   Uani 1   1 d    D U . . .
C11_5  C  0.2188(5)   0.5495(5)   0.3933(4)   0.141(4)   Uani 1   1 d    D U . . .
C12_5  C  0.2359(5)   0.5612(5)   0.4302(4)   0.140(4)   Uani 1   1 d    D U . . .
O13_5  O  0.2914(4)   0.5708(4)   0.4323(3)   0.143(3)   Uani 1   1 d    D U . . .
C14_5  C  0.3324(5)   0.5410(5)   0.4104(4)   0.145(4)   Uani 1   1 d    D U . . .
C15_5  C  0.3783(5)   0.5199(6)   0.4266(4)   0.149(4)   Uani 1   1 d    D U . . .
H15_5  H  0.383929    0.526441    0.452782    0.179      Uiso 1   1 calc R U . . .
C16_5  C  0.4180(6)   0.4881(7)   0.4046(4)   0.162(5)   Uani 1   1 d    D U . . .
H16_5  H  0.450569    0.473969    0.416415    0.195      Uiso 1   1 calc R U . . .
C17_5  C  0.4119(5)   0.4764(5)   0.3665(3)   0.151(4)   Uani 1   1 d    D U . . .
C18_5  C  0.3613(5)   0.4949(5)   0.3502(4)   0.139(4)   Uani 1   1 d    D U . . .
C19_5  C  0.3229(5)   0.5299(5)   0.3720(4)   0.140(4)   Uani 1   1 d    D U . . .
P20_5  P  0.26276(17) 0.55598(16) 0.35094(11) 0.1316(11) Uani 1   1 d    D U . . .
C21_5  C  0.2492(6)   0.4978(5)   0.3309(4)   0.144(4)   Uani 1   1 d    D U . . .
C22_5  C  0.2944(5)   0.4663(5)   0.3139(4)   0.155(4)   Uani 1   1 d    D U . . .
C23_5  C  0.2859(5)   0.4217(6)   0.2985(5)   0.159(5)   Uani 1   1 d    D U . . .
H23_5  H  0.315814    0.399863    0.286745    0.191      Uiso 1   1 calc R U . . .
C24_5  C  0.2315(5)   0.4083(6)   0.3001(5)   0.158(5)   Uani 1   1 d    D U . . .
H24_5  H  0.225031    0.376834    0.289671    0.190      Uiso 1   1 calc R U . . .
C25_5  C  0.1872(4)   0.4402(5)   0.3167(4)   0.159(4)   Uani 1   1 d    D U . . .
C26_5  C  0.1966(6)   0.4842(5)   0.3342(4)   0.149(4)   Uani 1   1 d    D U . . .
O27_5  O  0.1562(4)   0.5117(4)   0.3576(3)   0.149(3)   Uani 1   1 d    D U . . .
O28_5  O  0.3480(4)   0.4775(4)   0.3161(3)   0.148(3)   Uani 1   1 d    D U . . .
O29_5  O  0.2610(4)   0.6049(4)   0.3255(3)   0.139(3)   Uani 1   1 d    D U . . .
C30_5  C  0.1301(4)   0.4273(5)   0.3140(4)   0.155(4)   Uani 1   1 d    D U . . .
C31_5  C  0.1176(5)   0.3764(5)   0.3206(5)   0.175(6)   Uani 1   1 d    D U . . .
H31_5  H  0.145069    0.349463    0.328242    0.210      Uiso 1   1 calc R U . . .
C32_5  C  0.0648(6)   0.3647(5)   0.3160(5)   0.191(6)   Uani 1   1 d    D U . . .
H32_5  H  0.055358    0.330080    0.320801    0.229      Uiso 1   1 calc R U . . .
C33_5  C  0.0266(6)   0.4047(5)   0.3042(5)   0.168(5)   Uani 1   1 d    D U . . .
H33_5  H  -0.009730   0.397121    0.301527    0.201      Uiso 1   1 calc R U . . .
N34_5  N  0.0383(5)   0.4538(5)   0.2964(4)   0.162(4)   Uani 1   1 d    D U . . .
C35_5  C  0.0892(5)   0.4645(5)   0.3007(5)   0.156(5)   Uani 1   1 d    D U . . .
H35_5  H  0.097915    0.499136    0.294432    0.187      Uiso 1   1 calc R U . . .
C36_5  C  0.4566(5)   0.4462(5)   0.3429(3)   0.149(4)   Uani 1   1 d    D U . . .
C37_5  C  0.4878(6)   0.4029(5)   0.3593(4)   0.165(5)   Uani 1   1 d    D U . . .
H37_5  H  0.480508    0.391413    0.386190    0.199      Uiso 1   1 calc R U . . .
C38_5  C  0.5296(6)   0.3767(5)   0.3359(4)   0.161(5)   Uani 1   1 d    D U . . .
H38_5  H  0.551337    0.346875    0.346264    0.193      Uiso 1   1 calc R U . . .
C39_5  C  0.5388(6)   0.3954(5)   0.2970(4)   0.161(5)   Uani 1   1 d    D U . . .
H39_5  H  0.565712    0.376220    0.280418    0.193      Uiso 1   1 calc R U . . .
N40_5  N  0.5118(5)   0.4387(5)   0.2816(3)   0.152(4)   Uani 1   1 d    D U . . .
C41_5  C  0.4696(6)   0.4617(5)   0.3038(3)   0.155(5)   Uani 1   1 d    D U . . .
H41_5  H  0.447312    0.490235    0.292191    0.186      Uiso 1   1 calc R U . . .
N1_6   N  0.1465(5)   0.7565(5)   -0.0230(3)  0.164(4)   Uani 1   1 d    D U . . .
C2_6   C  0.1174(7)   0.7518(7)   -0.0536(4)  0.172(5)   Uani 1   1 d    D U . . .
H2_6   H  0.133098    0.758821    -0.079675   0.206      Uiso 1   1 calc R U . . .
C3_6   C  0.0649(7)   0.7370(8)   -0.0478(4)  0.193(6)   Uani 1   1 d    D U . . .
H3_6   H  0.045210    0.733183    -0.069894   0.232      Uiso 1   1 calc R U . . .
C4_6   C  0.0407(6)   0.7275(6)   -0.0100(4)  0.172(5)   Uani 1   1 d    D U . . .
H4_6   H  0.004103    0.718437    -0.005950   0.206      Uiso 1   1 calc R U . . .
C5_6   C  0.0711(6)   0.7315(5)   0.0217(3)   0.165(5)   Uani 1   1 d    D U . . .
C6_6   C  0.1237(5)   0.7462(5)   0.0132(3)   0.160(5)   Uani 1   1 d    D U . . .
H6_6   H  0.144846    0.749125    0.034714    0.192      Uiso 1   1 calc R U . . .
C7_6   C  0.0484(6)   0.7203(5)   0.0628(3)   0.157(5)   Uani 1   1 d    D U . . .
C8_6   C  0.0252(7)   0.6739(6)   0.0733(4)   0.162(5)   Uani 1   1 d    D U . . .
H8_6   H  0.022098    0.650738    0.053514    0.194      Uiso 1   1 calc R U . . .
C9_6   C  0.0063(7)   0.6607(6)   0.1127(4)   0.155(5)   Uani 1   1 d    D U . . .
H9_6   H  -0.012785   0.630862    0.118967    0.186      Uiso 1   1 calc R U . . .
C10_6  C  0.0158(6)   0.6913(5)   0.1416(4)   0.157(5)   Uani 1   1 d    D U . . .
C11_6  C  0.0404(5)   0.7365(5)   0.1327(4)   0.146(4)   Uani 1   1 d    D U . . .
C12_6  C  0.0526(6)   0.7523(5)   0.0929(4)   0.160(5)   Uani 1   1 d    D U . . .
O13_6  O  0.0676(4)   0.8035(3)   0.0827(3)   0.143(3)   Uani 1   1 d    D U . . .
C14_6  C  0.0390(6)   0.8429(5)   0.1035(4)   0.150(4)   Uani 1   1 d    D U . . .
C15_6  C  0.0200(7)   0.8883(5)   0.0845(4)   0.158(5)   Uani 1   1 d    D U . . .
H15_6  H  0.026730    0.893684    0.056706    0.190      Uiso 1   1 calc R U . . .
C16_6  C  -0.0097(6)  0.9274(5)   0.1066(3)   0.138(4)   Uani 1   1 d    D U . . .
H16_6  H  -0.019922   0.960081    0.093108    0.166      Uiso 1   1 calc R U . . .
C17_6  C  -0.0251(5)  0.9218(4)   0.1462(3)   0.146(4)   Uani 1   1 d    D U . . .
C18_6  C  -0.0092(5)  0.8734(5)   0.1651(4)   0.137(4)   Uani 1   1 d    D U . . .
C19_6  C  0.0265(5)   0.8360(5)   0.1440(4)   0.141(4)   Uani 1   1 d    D U . . .
P20_6  P  0.05033(18) 0.77718(15) 0.16949(11) 0.1319(11) Uani 1   1 d    D U . . .
C21_6  C  -0.0127(5)  0.7679(5)   0.1969(4)   0.145(4)   Uani 1   1 d    D U . . .
C22_6  C  -0.0448(6)  0.8111(5)   0.2126(4)   0.149(4)   Uani 1   1 d    D U . . .
C23_6  C  -0.0922(6)  0.8050(5)   0.2358(4)   0.156(5)   Uani 1   1 d    D U . . .
H23_6  H  -0.112826   0.833389    0.248320    0.187      Uiso 1   1 calc R U . . .
C24_6  C  -0.1093(7)  0.7540(5)   0.2402(5)   0.165(5)   Uani 1   1 d    D U . . .
H24_6  H  -0.143593   0.749372    0.254553    0.198      Uiso 1   1 calc R U . . .
C25_6  C  -0.0788(5)  0.7109(4)   0.2249(4)   0.145(4)   Uani 1   1 d    D U . . .
C26_6  C  -0.0309(5)  0.7179(5)   0.2013(4)   0.139(4)   Uani 1   1 d    D U . . .
O27_6  O  -0.0033(5)  0.6787(4)   0.1802(3)   0.154(3)   Uani 1   1 d    D U . . .
O28_6  O  -0.0287(4)  0.8608(4)   0.2034(3)   0.147(3)   Uani 1   1 d    D U . . .
O29_6  O  0.1022(4)   0.7713(4)   0.1894(3)   0.142(3)   Uani 1   1 d    D U . . .
C30_6  C  -0.0967(5)  0.6581(4)   0.2337(4)   0.160(4)   Uani 1   1 d    D U . . .
C31_6  C  -0.1503(5)  0.6483(5)   0.2288(5)   0.176(6)   Uani 1   1 d    D U . . .
H31_6  H  -0.176021   0.675055    0.218500    0.211      Uiso 1   1 calc R U . . .
C32_6  C  -0.1650(6)  0.5989(6)   0.2393(5)   0.195(7)   Uani 1   1 d    D U . . .
H32_6  H  -0.201508   0.591539    0.236812    0.233      Uiso 1   1 calc R U . . .
C33_6  C  -0.1268(6)  0.5604(6)   0.2533(5)   0.183(6)   Uani 1   1 d    D U . . .
H33_6  H  -0.137488   0.526535    0.260012    0.220      Uiso 1   1 calc R U . . .
N34_6  N  -0.0756(5)  0.5691(4)   0.2577(4)   0.155(4)   Uani 1   1 d    D U . . .
C35_6  C  -0.0606(5)  0.6166(4)   0.2468(4)   0.148(4)   Uani 1   1 d    D U . . .
H35_6  H  -0.023324   0.622134    0.248228    0.178      Uiso 1   1 calc R U . . .
C36_6  C  -0.0560(5)  0.9649(4)   0.1679(3)   0.147(4)   Uani 1   1 d    D U . . .
C37_6  C  -0.1012(6)  0.9960(6)   0.1537(4)   0.176(6)   Uani 1   1 d    D U . . .
H37_6  H  -0.114468   0.989443    0.129520    0.211      Uiso 1   1 calc R U . . .
C38_6  C  -0.1265(6)  1.0364(5)   0.1751(4)   0.176(6)   Uani 1   1 d    D U . . .
H38_6  H  -0.157307   1.057965    0.165811    0.212      Uiso 1   1 calc R U . . .
C39_6  C  -0.1067(6)  1.0453(6)   0.2103(4)   0.159(5)   Uani 1   1 d    D U . . .
H39_6  H  -0.125163   1.072265    0.225514    0.191      Uiso 1   1 calc R U . . .
N40_6  N  -0.0622(5)  1.0171(4)   0.2235(3)   0.138(3)   Uani 1   1 d    D U . . .
C41_6  C  -0.0385(6)  0.9774(5)   0.2034(3)   0.148(4)   Uani 1   1 d    D U . . .
H41_6  H  -0.008090   0.956378    0.213694    0.177      Uiso 1   1 calc R U . . .
N1_7   N  0.1953(6)   0.8491(4)   -0.0267(3)  0.171(5)   Uani 1   1 d    D U . . .
C2_7   C  0.1814(9)   0.8785(6)   -0.0588(4)  0.185(7)   Uani 1   1 d    D U . . .
H2_7   H  0.189751    0.864704    -0.083863   0.222      Uiso 1   1 calc R U . . .
C3_7   C  0.1550(10)  0.9283(6)   -0.0565(4)  0.203(8)   Uani 1   1 d    D U . . .
H3_7   H  0.137627    0.945578    -0.078372   0.244      Uiso 1   1 calc R U . . .
C4_7   C  0.1543(8)   0.9529(5)   -0.0217(4)  0.183(6)   Uani 1   1 d    D U . . .
H4_7   H  0.144588    0.989483    -0.021059   0.219      Uiso 1   1 calc R U . . .
C5_7   C  0.1681(6)   0.9228(4)   0.0120(3)   0.158(5)   Uani 1   1 d    D U . . .
C6_7   C  0.1894(6)   0.8715(4)   0.0076(3)   0.158(5)   Uani 1   1 d    D U . . .
H6_7   H  0.200483    0.850957    0.030307    0.190      Uiso 1   1 calc R U . . .
C7_7   C  0.1574(5)   0.9432(5)   0.0518(3)   0.140(4)   Uani 1   1 d    D U . . .
C8_7   C  0.1086(6)   0.9692(6)   0.0637(4)   0.151(4)   Uani 1   1 d    D U . . .
H8_7   H  0.080671    0.974055    0.045820    0.182      Uiso 1   1 calc R U . . .
C9_7   C  0.0960(6)   0.9901(6)   0.1016(4)   0.159(5)   Uani 1   1 d    D U . . .
H9_7   H  0.061376    1.008821    0.108676    0.190      Uiso 1   1 calc R U . . .
C10_7  C  0.1358(6)   0.9818(5)   0.1265(3)   0.142(4)   Uani 1   1 d    D U . . .
C11_7  C  0.1876(5)   0.9530(5)   0.1165(4)   0.146(4)   Uani 1   1 d    D U . . .
C12_7  C  0.2007(5)   0.9361(5)   0.0774(4)   0.137(4)   Uani 1   1 d    D U . . .
O13_7  O  0.2546(4)   0.9188(4)   0.0654(3)   0.152(3)   Uani 1   1 d    D U . . .
C14_7  C  0.2969(5)   0.9412(5)   0.0794(4)   0.147(4)   Uani 1   1 d    D U . . .
C15_7  C  0.3405(6)   0.9519(7)   0.0545(4)   0.162(5)   Uani 1   1 d    D U . . .
H15_7  H  0.342491    0.944398    0.027621    0.195      Uiso 1   1 calc R U . . .
C16_7  C  0.3834(6)   0.9744(6)   0.0695(4)   0.151(4)   Uani 1   1 d    D U . . .
H16_7  H  0.415798    0.978357    0.052686    0.181      Uiso 1   1 calc R U . . .
C17_7  C  0.3811(5)   0.9908(5)   0.1067(4)   0.155(4)   Uani 1   1 d    D U . . .
C18_7  C  0.3327(5)   0.9820(5)   0.1315(4)   0.145(4)   Uani 1   1 d    D U . . .
C19_7  C  0.2938(5)   0.9535(5)   0.1181(4)   0.144(4)   Uani 1   1 d    D U . . .
P20_7  P  0.23662(18) 0.93996(17) 0.15025(12) 0.1359(12) Uani 1   1 d    D U . . .
C21_7  C  0.2234(6)   1.0000(5)   0.1708(4)   0.148(4)   Uani 1   1 d    D U . . .
C22_7  C  0.2681(5)   1.0250(5)   0.1776(4)   0.146(4)   Uani 1   1 d    D U . . .
C23_7  C  0.2609(5)   1.0702(6)   0.1960(4)   0.153(4)   Uani 1   1 d    D U . . .
H23_7  H  0.291458    1.086640    0.201979    0.183      Uiso 1   1 calc R U . . .
C24_7  C  0.2055(5)   1.0922(6)   0.2060(5)   0.151(4)   Uani 1   1 d    D U . . .
H24_7  H  0.199457    1.124156    0.218526    0.181      Uiso 1   1 calc R U . . .
C25_7  C  0.1606(4)   1.0681(5)   0.1980(4)   0.146(4)   Uani 1   1 d    D U . . .
C26_7  C  0.1689(6)   1.0235(5)   0.1783(4)   0.142(4)   Uani 1   1 d    D U . . .
O27_7  O  0.1265(4)   1.0017(4)   0.1636(3)   0.151(3)   Uani 1   1 d    D U . . .
O28_7  O  0.3224(4)   1.0039(4)   0.1676(3)   0.156(3)   Uani 1   1 d    D U . . .
O29_7  O  0.2387(4)   0.8914(4)   0.1757(3)   0.140(3)   Uani 1   1 d    D U . . .
C30_7  C  0.1041(4)   1.0911(5)   0.2111(4)   0.154(4)   Uani 1   1 d    D U . . .
C31_7  C  0.0888(6)   1.1442(5)   0.2074(5)   0.184(6)   Uani 1   1 d    D U . . .
H31_7  H  0.113616    1.166642    0.194252    0.220      Uiso 1   1 calc R U . . .
C32_7  C  0.0373(6)   1.1652(5)   0.2229(5)   0.210(8)   Uani 1   1 d    D U . . .
H32_7  H  0.026557    1.201705    0.220957    0.252      Uiso 1   1 calc R U . . .
C33_7  C  0.0025(6)   1.1310(5)   0.2412(5)   0.173(6)   Uani 1   1 d    D U . . .
H33_7  H  -0.032717   1.144702    0.252021    0.208      Uiso 1   1 calc R U . . .
N34_7  N  0.0158(4)   1.0798(4)   0.2445(3)   0.139(3)   Uani 1   1 d    D U . . .
C35_7  C  0.0656(4)   1.0599(5)   0.2297(4)   0.146(4)   Uani 1   1 d    D U . . .
H35_7  H  0.075024    1.023249    0.232009    0.176      Uiso 1   1 calc R U . . .
C36_7  C  0.4269(5)   1.0147(5)   0.1210(4)   0.164(4)   Uani 1   1 d    D U . . .
C37_7  C  0.4517(6)   1.0542(6)   0.0989(4)   0.188(6)   Uani 1   1 d    D U . . .
H37_7  H  0.438696    1.067801    0.074399    0.226      Uiso 1   1 calc R U . . .
C38_7  C  0.4959(6)   1.0736(6)   0.1134(5)   0.204(7)   Uani 1   1 d    D U . . .
H38_7  H  0.513704    1.100753    0.099014    0.245      Uiso 1   1 calc R U . . .
C39_7  C  0.5133(6)   1.0524(6)   0.1492(5)   0.180(6)   Uani 1   1 d    D U . . .
H39_7  H  0.543044    1.065902    0.159500    0.216      Uiso 1   1 calc R U . . .
N40_7  N  0.4901(5)   1.0142(5)   0.1696(4)   0.160(4)   Uani 1   1 d    D U . . .
C41_7  C  0.4468(5)   0.9964(6)   0.1567(4)   0.158(5)   Uani 1   1 d    D U . . .
H41_7  H  0.429060    0.970422    0.172425    0.189      Uiso 1   1 calc R U . . .
N1_8   N  0.2504(5)   0.6978(4)   -0.0350(3)  0.152(4)   Uani 1   1 d    D U . . .
C2_8   C  0.2544(7)   0.6741(5)   -0.0684(3)  0.161(5)   Uani 1   1 d    D U . . .
H2_8   H  0.246517    0.694519    -0.091887   0.193      Uiso 1   1 calc R U . . .
C3_8   C  0.2695(8)   0.6210(5)   -0.0708(4)  0.171(5)   Uani 1   1 d    D U . . .
H3_8   H  0.267157    0.604580    -0.094399   0.205      Uiso 1   1 calc R U . . .
C4_8   C  0.2883(7)   0.5924(5)   -0.0371(3)  0.164(5)   Uani 1   1 d    D U . . .
H4_8   H  0.301806    0.556591    -0.038078   0.197      Uiso 1   1 calc R U . . .
C5_8   C  0.2869(5)   0.6170(4)   -0.0022(3)  0.163(5)   Uani 1   1 d    D U . . .
C6_8   C  0.2669(6)   0.6697(4)   -0.0030(3)  0.159(5)   Uani 1   1 d    D U . . .
H6_8   H  0.264945    0.686648    0.020841    0.191      Uiso 1   1 calc R U . . .
C7_8   C  0.3038(6)   0.5884(5)   0.0350(3)   0.162(5)   Uani 1   1 d    D U . . .
C8_8   C  0.3523(6)   0.5566(6)   0.0370(4)   0.165(5)   Uani 1   1 d    D U . . .
H8_8   H  0.374909    0.551078    0.013285    0.197      Uiso 1   1 calc R U . . .
C9_8   C  0.3706(7)   0.5315(6)   0.0723(4)   0.167(6)   Uani 1   1 d    D U . . .
H9_8   H  0.404547    0.509727    0.072565    0.201      Uiso 1   1 calc R U . . .
C10_8  C  0.3374(6)   0.5398(5)   0.1062(4)   0.163(5)   Uani 1   1 d    D U . . .
C11_8  C  0.2872(6)   0.5714(5)   0.1056(4)   0.160(5)   Uani 1   1 d    D U . . .
C12_8  C  0.2687(6)   0.5933(5)   0.0703(4)   0.154(4)   Uani 1   1 d    D U . . .
O13_8  O  0.2148(5)   0.6158(4)   0.0688(3)   0.162(3)   Uani 1   1 d    D U . . .
C14_8  C  0.1744(6)   0.5910(5)   0.0913(4)   0.163(5)   Uani 1   1 d    D U . . .
C15_8  C  0.1272(6)   0.5848(6)   0.0750(4)   0.160(5)   Uani 1   1 d    D U . . .
H15_8  H  0.120160    0.599373    0.049330    0.192      Uiso 1   1 calc R U . . .
C16_8  C  0.0887(7)   0.5553(6)   0.0982(4)   0.164(5)   Uani 1   1 d    D U . . .
H16_8  H  0.055786    0.549591    0.087436    0.197      Uiso 1   1 calc R U . . .
C17_8  C  0.0981(6)   0.5346(5)   0.1363(4)   0.167(5)   Uani 1   1 d    D U . . .
C18_8  C  0.1487(6)   0.5402(6)   0.1524(4)   0.160(4)   Uani 1   1 d    D U . . .
C19_8  C  0.1857(6)   0.5715(5)   0.1297(4)   0.155(4)   Uani 1   1 d    D U . . .
P20_8  P  0.24616(19) 0.57967(17) 0.15033(12) 0.1424(13) Uani 1   1 d    D U . . .
C21_8  C  0.2582(6)   0.5168(5)   0.1701(4)   0.154(4)   Uani 1   1 d    D U . . .
C22_8  C  0.2166(6)   0.4888(5)   0.1872(4)   0.158(5)   Uani 1   1 d    D U . . .
C23_8  C  0.2253(6)   0.4399(6)   0.2045(5)   0.170(6)   Uani 1   1 d    D U . . .
H23_8  H  0.195817    0.421149    0.215322    0.204      Uiso 1   1 calc R U . . .
C24_8  C  0.2815(5)   0.4181(6)   0.2054(5)   0.161(5)   Uani 1   1 d    D U . . .
H24_8  H  0.289549    0.385514    0.219688    0.194      Uiso 1   1 calc R U . . .
C25_8  C  0.3246(4)   0.4427(5)   0.1861(4)   0.161(5)   Uani 1   1 d    D U . . .
C26_8  C  0.3124(6)   0.4921(5)   0.1659(4)   0.145(4)   Uani 1   1 d    D U . . .
O27_8  O  0.3513(4)   0.5137(4)   0.1408(3)   0.151(3)   Uani 1   1 d    D U . . .
O28_8  O  0.1629(5)   0.5131(4)   0.1870(3)   0.165(3)   Uani 1   1 d    D U . . .
O29_8  O  0.2486(5)   0.6243(4)   0.1730(3)   0.162(4)   Uani 1   1 d    D U . . .
C30_8  C  0.3819(4)   0.4179(5)   0.1888(4)   0.159(4)   Uani 1   1 d    D U . . .
C31_8  C  0.3944(6)   0.3652(5)   0.1827(6)   0.211(7)   Uani 1   1 d    D U . . .
H31_8  H  0.367613    0.345697    0.174331    0.253      Uiso 1   1 calc R U . . .
C32_8  C  0.4472(7)   0.3418(5)   0.1890(6)   0.227(8)   Uani 1   1 d    D U . . .
H32_8  H  0.457006    0.305788    0.185471    0.273      Uiso 1   1 calc R U . . .
C33_8  C  0.4849(6)   0.3717(5)   0.2005(6)   0.196(7)   Uani 1   1 d    D U . . .
H33_8  H  0.521006    0.355716    0.204398    0.235      Uiso 1   1 calc R U . . .
N34_8  N  0.4730(5)   0.4223(4)   0.2064(4)   0.152(4)   Uani 1   1 d    D U . . .
C35_8  C  0.4227(5)   0.4447(5)   0.2001(5)   0.161(5)   Uani 1   1 d    D U . . .
H35_8  H  0.414494    0.480917    0.203622    0.193      Uiso 1   1 calc R U . . .
C36_8  C  0.0564(6)   0.5051(5)   0.1596(3)   0.173(5)   Uani 1   1 d    D U . . .
C37_8  C  0.0317(8)   0.4670(7)   0.1437(4)   0.211(7)   Uani 1   1 d    D U . . .
H37_8  H  0.041436    0.458323    0.117312    0.253      Uiso 1   1 calc R U . . .
C38_8  C  -0.0076(8)  0.4416(6)   0.1671(5)   0.216(8)   Uani 1   1 d    D U . . .
H38_8  H  -0.026021   0.416230    0.156539    0.260      Uiso 1   1 calc R U . . .
C39_8  C  -0.0197(8)  0.4537(7)   0.2060(5)   0.208(7)   Uani 1   1 d    D U . . .
H39_8  H  -0.045098   0.434852    0.222334    0.249      Uiso 1   1 calc R U . . .
N40_8  N  0.0034(5)   0.4912(5)   0.2212(3)   0.156(4)   Uani 1   1 d    D U . . .
C41_8  C  0.0426(6)   0.5139(6)   0.1992(4)   0.156(5)   Uani 1   1 d    D U . . .
H41_8  H  0.062126    0.537290    0.210972    0.187      Uiso 1   1 calc R U . . .
N1_9   N  0.5705(5)   0.9295(4)   0.1915(4)   0.155(4)   Uani 1   1 d    D U . . .
C2_9   C  0.6220(6)   0.9371(6)   0.1782(5)   0.174(6)   Uani 1   1 d    D U . . .
H2_9   H  0.635700    0.968313    0.183955    0.209      Uiso 1   1 calc R U . . .
C3_9   C  0.6561(6)   0.9018(6)   0.1567(6)   0.192(7)   Uani 1   1 d    D U . . .
H3_9   H  0.692004    0.909133    0.146661    0.230      Uiso 1   1 calc R U . . .
C4_9   C  0.6368(5)   0.8555(6)   0.1500(6)   0.179(6)   Uani 1   1 d    D U . . .
H4_9   H  0.659404    0.830467    0.135135    0.215      Uiso 1   1 calc R U . . .
C5_9   C  0.5842(5)   0.8457(4)   0.1652(4)   0.168(5)   Uani 1   1 d    D U . . .
C6_9   C  0.5526(5)   0.8847(5)   0.1851(4)   0.164(5)   Uani 1   1 d    D U . . .
H6_9   H  0.516100    0.879137    0.194693    0.197      Uiso 1   1 calc R U . . .
C7_9   C  0.5640(6)   0.7948(4)   0.1608(4)   0.167(5)   Uani 1   1 d    D U . . .
C8_9   C  0.5939(7)   0.7479(5)   0.1714(5)   0.169(5)   Uani 1   1 d    D U . . .
H8_9   H  0.628950    0.748885    0.180804    0.203      Uiso 1   1 calc R U . . .
C9_9   C  0.5755(6)   0.6984(5)   0.1689(5)   0.153(4)   Uani 1   1 d    D U . . .
H9_9   H  0.598227    0.667079    0.175196    0.184      Uiso 1   1 calc R U . . .
C10_9  C  0.5245(6)   0.6973(5)   0.1574(4)   0.164(5)   Uani 1   1 d    D U . . .
C11_9  C  0.4919(5)   0.7439(5)   0.1479(4)   0.148(4)   Uani 1   1 d    D U . . .
C12_9  C  0.5124(6)   0.7919(6)   0.1465(4)   0.162(4)   Uani 1   1 d    D U . . .
O13_9  O  0.4835(5)   0.8369(4)   0.1304(3)   0.153(3)   Uani 1   1 d    D U . . .
C14_9  C  0.4582(6)   0.8315(5)   0.0968(4)   0.151(4)   Uani 1   1 d    D U . . .
C15_9  C  0.4624(7)   0.8683(6)   0.0661(4)   0.165(5)   Uani 1   1 d    D U . . .
H15_9  H  0.481836    0.897682    0.067477    0.198      Uiso 1   1 calc R U . . .
C16_9  C  0.4366(7)   0.8606(6)   0.0324(4)   0.163(5)   Uani 1   1 d    D U . . .
H16_9  H  0.437175    0.887062    0.011571    0.196      Uiso 1   1 calc R U . . .
C17_9  C  0.4105(6)   0.8175(5)   0.0272(3)   0.162(5)   Uani 1   1 d    D U . . .
C18_9  C  0.4095(6)   0.7788(5)   0.0578(4)   0.152(4)   Uani 1   1 d    D U . . .
C19_9  C  0.4307(6)   0.7877(5)   0.0950(4)   0.150(4)   Uani 1   1 d    D U . . .
P20_9  P  0.4262(2)   0.74173(15) 0.13341(12) 0.1380(12) Uani 1   1 d    D U . . .
C21_9  C  0.4412(6)   0.6865(5)   0.1064(4)   0.154(4)   Uani 1   1 d    D U . . .
C22_9  C  0.4211(6)   0.6864(5)   0.0693(4)   0.164(5)   Uani 1   1 d    D U . . .
C23_9  C  0.4333(7)   0.6450(5)   0.0463(4)   0.167(5)   Uani 1   1 d    D U . . .
H23_9  H  0.420171    0.645105    0.020992    0.200      Uiso 1   1 calc R U . . .
C24_9  C  0.4672(7)   0.6012(6)   0.0631(4)   0.171(5)   Uani 1   1 d    D U . . .
H24_9  H  0.474921    0.571205    0.048362    0.205      Uiso 1   1 calc R U . . .
C25_9  C  0.4892(5)   0.5995(4)   0.0984(4)   0.156(4)   Uani 1   1 d    D U . . .
C26_9  C  0.4785(6)   0.6450(5)   0.1205(4)   0.154(4)   Uani 1   1 d    D U . . .
O27_9  O  0.5059(5)   0.6498(4)   0.1534(3)   0.157(3)   Uani 1   1 d    D U . . .
O28_9  O  0.3918(5)   0.7314(4)   0.0537(3)   0.159(3)   Uani 1   1 d    D U . . .
O29_9  O  0.3776(4)   0.7455(4)   0.1621(3)   0.142(3)   Uani 1   1 d    D U . . .
C30_9  C  0.5235(5)   0.5529(4)   0.1145(3)   0.167(5)   Uani 1   1 d    D U . . .
C31_9  C  0.5656(7)   0.5273(6)   0.0910(4)   0.198(7)   Uani 1   1 d    D U . . .
H31_9  H  0.573600    0.540026    0.064547    0.237      Uiso 1   1 calc R U . . .
C32_9  C  0.5961(7)   0.4831(6)   0.1064(4)   0.210(8)   Uani 1   1 d    D U . . .
H32_9  H  0.624219    0.464379    0.090437    0.253      Uiso 1   1 calc R U . . .
C33_9  C  0.5844(7)   0.4669(6)   0.1454(4)   0.193(7)   Uani 1   1 d    D U . . .
H33_9  H  0.604584    0.436220    0.155972    0.231      Uiso 1   1 calc R U . . .
N34_9  N  0.5457(5)   0.4927(4)   0.1690(3)   0.158(4)   Uani 1   1 d    D U . . .
C35_9  C  0.5155(6)   0.5341(5)   0.1533(3)   0.157(5)   Uani 1   1 d    D U . . .
H35_9  H  0.486924    0.551445    0.169723    0.188      Uiso 1   1 calc R U . . .
C36_9  C  0.3843(5)   0.8119(5)   -0.0095(3)  0.165(5)   Uani 1   1 d    D U . . .
C37_9  C  0.4099(6)   0.8227(7)   -0.0464(4)  0.178(6)   Uani 1   1 d    D U . . .
H37_9  H  0.445981    0.833045    -0.049152   0.213      Uiso 1   1 calc R U . . .
C38_9  C  0.3826(7)   0.8184(7)   -0.0793(4)  0.205(7)   Uani 1   1 d    D U . . .
H38_9  H  0.399526    0.825450    -0.104947   0.246      Uiso 1   1 calc R U . . .
C39_9  C  0.3299(7)   0.8034(7)   -0.0740(4)  0.177(6)   Uani 1   1 d    D U . . .
H39_9  H  0.311124    0.800022    -0.096605   0.213      Uiso 1   1 calc R U . . .
N40_9  N  0.3044(5)   0.7937(5)   -0.0384(3)  0.162(4)   Uani 1   1 d    D U . . .
C41_9  C  0.3319(5)   0.7950(6)   -0.0068(3)  0.161(5)   Uani 1   1 d    D U . . .
H41_9  H  0.315523    0.784244    0.018268    0.193      Uiso 1   1 calc R U . . .
B1_10  B  0.2955(8)   0.6937(8)   0.6544(6)   0.192(6)   Uani 1   1 d    D U . . .
F2_10  F  0.2833(10)  0.6426(7)   0.6582(7)   0.329(9)   Uani 1   1 d    D U . . .
F3_10  F  0.2734(7)   0.7160(7)   0.6210(4)   0.243(6)   Uani 1   1 d    D U . . .
F4_10  F  0.2740(7)   0.7174(7)   0.6865(4)   0.265(6)   Uani 1   1 d    D U . . .
F5_10  F  0.3523(6)   0.6932(8)   0.6517(6)   0.292(7)   Uani 1   1 d    D U . . .
B1_11  B  0.2080(9)   0.8076(9)   -0.1555(6)  0.208(7)   Uani 1   1 d    D U . . .
F2_11  F  0.2347(8)   0.7856(7)   -0.1876(5)  0.279(7)   Uani 1   1 d    D U . . .
F3_11  F  0.2222(10)  0.8565(7)   -0.1528(6)  0.305(8)   Uani 1   1 d    D U . . .
F4_11  F  0.2170(7)   0.7792(6)   -0.1220(4)  0.236(5)   Uani 1   1 d    D U . . .
F5_11  F  0.1542(8)   0.8160(10)  -0.1612(7)  0.337(9)   Uani 1   1 d    D U . . .
B1_12  B  0.5277(11)  1.2091(9)   0.1731(7)   0.240(9)   Uani 0.8 1 d    D U P . .
F2_12  F  0.4945(9)   1.2315(8)   0.1448(7)   0.271(8)   Uani 0.8 1 d    D U P . .
F3_12  F  0.5705(10)  1.2383(9)   0.1668(7)   0.293(9)   Uani 0.8 1 d    D U P . .
F4_12  F  0.5464(8)   1.1596(7)   0.1654(6)   0.251(7)   Uani 0.8 1 d    D U P . .
F5_12  F  0.5069(11)  1.2091(10)  0.2112(7)   0.314(10)  Uani 0.8 1 d    D U P . .
B1_13  B  -0.0141(10) 1.2418(9)   0.3189(7)   0.219(8)   Uani 0.8 1 d    D U P . .
F2_13  F  -0.0096(8)  1.2674(8)   0.3519(6)   0.257(7)   Uani 0.8 1 d    D U P . .
F3_13  F  0.0370(9)   1.2121(10)  0.3122(8)   0.319(10)  Uani 0.8 1 d    D U P . .
F4_13  F  -0.0530(7)  1.2085(6)   0.3297(5)   0.218(6)   Uani 0.8 1 d    D U P . .
F5_13  F  -0.0234(9)  1.2747(9)   0.2861(6)   0.270(8)   Uani 0.8 1 d    D U P . .
B1_14  B  -0.1640(4)  1.1691(3)   0.2937(3)   0.086(3)   Uani 1   1 d    D U . . .
F2_14  F  -0.1743(9)  1.1744(8)   0.3330(4)   0.303(8)   Uani 1   1 d    D U . . .
F3_14  F  -0.2140(6)  1.1579(7)   0.2817(6)   0.279(6)   Uani 1   1 d    D U . . .
F4_14  F  -0.1265(4)  1.1218(4)   0.2844(3)   0.185(4)   Uani 1   1 d    D U . . .
F5_14  F  -0.1548(10) 1.2162(6)   0.2716(6)   0.327(9)   Uani 1   1 d    D U . . .
O1_15  O  0.2602(5)   0.7309(5)   0.4404(3)   0.154(3)   Uani 1   1 d    D U . . .
S2_15  S  0.2388(4)   0.7465(5)   0.4011(3)   0.265(4)   Uani 1   1 d    D U . . .
C3_15  C  0.2913(11)  0.7729(12)  0.3720(8)   0.243(10)  Uani 1   1 d    D U . . .
H3A_15 H  0.275822    0.801853    0.354783    0.364      Uiso 1   1 calc R U . . .
H3B_15 H  0.311626    0.746092    0.355966    0.364      Uiso 1   1 calc R U . . .
H3C_15 H  0.316347    0.785719    0.388866    0.364      Uiso 1   1 calc R U . . .
C4_15  C  0.2253(9)   0.6965(8)   0.3822(6)   0.197(7)   Uani 1   1 d    D U . . .
H4A_15 H  0.232682    0.665925    0.400426    0.236      Uiso 1   1 calc R U . . .
H4B_15 H  0.248266    0.691959    0.357453    0.236      Uiso 1   1 calc R U . . .
H4C_15 H  0.186383    0.700570    0.376906    0.236      Uiso 1   1 calc R U . . .
O1_16  O  0.2346(5)   0.7632(5)   0.0570(3)   0.164(4)   Uani 1   1 d    D U . . .
S2_16  S  0.2504(4)   0.7421(4)   0.0972(2)   0.245(3)   Uani 1   1 d    D U . . .
C3_16  C  0.2759(12)  0.7952(10)  0.1182(8)   0.237(9)   Uani 1   1 d    D U . . .
H3A_16 H  0.300720    0.812223    0.098542    0.355      Uiso 1   1 calc R U . . .
H3B_16 H  0.295904    0.781832    0.141102    0.355      Uiso 1   1 calc R U . . .
H3C_16 H  0.244952    0.820506    0.126532    0.355      Uiso 1   1 calc R U . . .
C4_16  C  0.1927(10)  0.7314(11)  0.1244(7)   0.228(9)   Uani 1   1 d    D U . . .
H4A_16 H  0.174031    0.764546    0.133222    0.341      Uiso 1   1 calc R U . . .
H4B_16 H  0.201550    0.707920    0.147442    0.341      Uiso 1   1 calc R U . . .
H4C_16 H  0.168610    0.715420    0.108734    0.341      Uiso 1   1 calc R U . . .
O1_17  O  0.4379(5)   0.5581(4)   0.2359(3)   0.159(4)   Uani 1   1 d    D U . . .
S2_17  S  0.3950(4)   0.5927(4)   0.2569(3)   0.251(3)   Uani 1   1 d    D U . . .
C3_17  C  0.4050(11)  0.6532(8)   0.2346(7)   0.209(8)   Uani 1   1 d    D U . . .
H3A_17 H  0.444348    0.657262    0.232034    0.313      Uiso 1   1 calc R U . . .
H3B_17 H  0.385121    0.680230    0.250608    0.313      Uiso 1   1 calc R U . . .
H3C_17 H  0.391163    0.656407    0.208400    0.313      Uiso 1   1 calc R U . . .
C4_17  C  0.3316(8)   0.5827(10)  0.2435(8)   0.213(8)   Uani 1   1 d    D U . . .
H4A_17 H  0.305787    0.613908    0.247713    0.319      Uiso 1   1 calc R U . . .
H4B_17 H  0.318294    0.552930    0.259551    0.319      Uiso 1   1 calc R U . . .
H4C_17 H  0.334661    0.575415    0.215638    0.319      Uiso 1   1 calc R U . . .
O1_18  O  0.6130(6)   1.0538(5)   0.2121(5)   0.198(5)   Uani 1   1 d    D U . . .
S2_18  S  0.6539(3)   1.0897(3)   0.1981(2)   0.210(2)   Uani 1   1 d    D U . . .
C3_18  C  0.6564(13)  1.1351(10)  0.2350(8)   0.262(11)  Uani 1   1 d    D U . . .
H3A_18 H  0.690823    1.151102    0.230538    0.393      Uiso 1   1 calc R U . . .
H3B_18 H  0.654456    1.116590    0.261163    0.393      Uiso 1   1 calc R U . . .
H3C_18 H  0.625149    1.162201    0.233471    0.393      Uiso 1   1 calc R U . . .
C4_18  C  0.7194(9)   1.0585(10)  0.2104(8)   0.240(9)   Uani 1   1 d    D U . . .
H4A_18 H  0.736646    1.038589    0.188403    0.360      Uiso 1   1 calc R U . . .
H4B_18 H  0.714626    1.034883    0.233963    0.360      Uiso 1   1 calc R U . . .
H4C_18 H  0.742941    1.084900    0.215500    0.360      Uiso 1   1 calc R U . . .
O1_19  O  0.4300(5)   0.9087(4)   0.2304(3)   0.131(3)   Uani 0.8 1 d    D U P . .
S2_19  S  0.3879(7)   0.8770(7)   0.2432(5)   0.322(7)   Uani 0.8 1 d    D U P . .
C3_19  C  0.3649(16)  0.8565(16)  0.2887(9)   0.269(14)  Uani 0.8 1 d    D U P . .
H3A_19 H  0.372678    0.818516    0.292101    0.404      Uiso 0.8 1 calc R U P . .
H3B_19 H  0.325175    0.866395    0.292555    0.404      Uiso 0.8 1 calc R U P . .
H3C_19 H  0.383489    0.872644    0.308001    0.404      Uiso 0.8 1 calc R U P . .
C4_19  C  0.3352(14)  0.9236(16)  0.2320(13)  0.312(15)  Uani 0.8 1 d    D U P . .
H4A_19 H  0.310255    0.929562    0.255672    0.467      Uiso 0.8 1 calc R U P . .
H4B_19 H  0.315045    0.911715    0.211581    0.467      Uiso 0.8 1 calc R U P . .
H4C_19 H  0.350268    0.956090    0.222412    0.467      Uiso 0.8 1 calc R U P . .
O1_20  O  0.0575(5)   0.9398(4)   0.2642(3)   0.154(3)   Uani 1   1 d    D U . . .
S2_20  S  0.0956(4)   0.9005(4)   0.2434(3)   0.268(4)   Uani 1   1 d    D U . . .
C3_20  C  0.0868(11)  0.8387(8)   0.2667(7)   0.212(8)   Uani 1   1 d    D U . . .
H3A_20 H  0.047553    0.836041    0.273366    0.317      Uiso 1   1 calc R U . . .
H3B_20 H  0.106061    0.834045    0.290891    0.317      Uiso 1   1 calc R U . . .
H3C_20 H  0.102016    0.811696    0.249013    0.317      Uiso 1   1 calc R U . . .
C4_20  C  0.1604(9)   0.9121(11)  0.2557(8)   0.225(9)   Uani 1   1 d    D U . . .
H4A_20 H  0.184695    0.916674    0.231593    0.338      Uiso 1   1 calc R U . . .
H4B_20 H  0.175893    0.882445    0.272250    0.338      Uiso 1   1 calc R U . . .
H4C_20 H  0.156811    0.943771    0.270110    0.338      Uiso 1   1 calc R U . . .
O1_21  O  0.0707(4)   0.5896(4)   0.2665(3)   0.152(3)   Uani 1   1 d    D U . . .
S2_21  S  0.1133(6)   0.6197(6)   0.2538(5)   0.334(6)   Uani 1   1 d    D U . . .
C3_21  C  0.1472(15)  0.6432(15)  0.2912(10)  0.330(15)  Uani 1   1 d    D U . . .
H3A_21 H  0.185833    0.645584    0.282061    0.496      Uiso 1   1 calc R U . . .
H3B_21 H  0.144985    0.619276    0.314851    0.496      Uiso 1   1 calc R U . . .
H3C_21 H  0.129401    0.677805    0.297505    0.496      Uiso 1   1 calc R U . . .
C4_21  C  0.1433(16)  0.6401(16)  0.2090(9)   0.318(14)  Uani 1   1 d    D U . . .
H4A_21 H  0.119781    0.634911    0.188311    0.476      Uiso 1   1 calc R U . . .
H4B_21 H  0.179301    0.619910    0.204168    0.476      Uiso 1   1 calc R U . . .
H4C_21 H  0.148092    0.677162    0.208900    0.476      Uiso 1   1 calc R U . . .
O1_22  O  0.0752(9)   0.6029(9)   -0.0062(5)  0.265(8)   Uani 1   1 d    D U . . .
S2_22  S  0.1153(4)   0.5965(4)   -0.0419(3)  0.258(3)   Uani 1   1 d    D U . . .
C3_22  C  0.1537(13)  0.5381(11)  -0.0334(10) 0.295(13)  Uani 1   1 d    D U . . .
H3A_22 H  0.130415    0.509835    -0.033243   0.443      Uiso 1   1 calc R U . . .
H3B_22 H  0.169153    0.537207    -0.007887   0.443      Uiso 1   1 calc R U . . .
H3C_22 H  0.183715    0.533744    -0.054282   0.443      Uiso 1   1 calc R U . . .
C4_22  C  0.0719(14)  0.5832(14)  -0.0767(9)  0.313(14)  Uani 1   1 d    D U . . .
H4A_22 H  0.047159    0.614654    -0.083078   0.469      Uiso 1   1 calc R U . . .
H4B_22 H  0.050118    0.555218    -0.065847   0.469      Uiso 1   1 calc R U . . .
H4C_22 H  0.093975    0.572367    -0.100565   0.469      Uiso 1   1 calc R U . . .


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
Pd1_1 N1_3   2.000(11) . ?
Pd1_1 N1_2   2.030(9)  . ?
Pd1_1 N1_4   2.034(10) . ?
Pd1_1 N1_5   2.040(11) . ?
Pd2_1 N34_7  1.996(10) . ?
Pd2_1 N40_3  1.999(9)  . ?
Pd2_1 N34_2  2.019(9)  . ?
Pd2_1 N40_6  2.023(10) . ?
Pd3_1 N40_4  1.973(12) . ?
Pd3_1 N34_3  2.015(10) . ?
Pd3_1 N40_7  2.024(12) . ?
Pd3_1 N1_9   2.040(10) . ?
Pd4_1 N34_9  2.003(10) . ?
Pd4_1 N34_4  2.012(11) . ?
Pd4_1 N40_5  2.034(10) . ?
Pd4_1 N34_8  2.036(11) . ?
Pd5_1 N40_2  2.010(10) . ?
Pd5_1 N34_6  2.026(11) . ?
Pd5_1 N40_8  2.037(11) . ?
Pd5_1 N34_5  2.048(11) . ?
Pd6_1 N1_7   2.003(11) . ?
Pd6_1 N1_8   2.017(11) . ?
Pd6_1 N40_9  2.034(12) . ?
Pd6_1 N1_6   2.047(12) . ?
N1_2  C6_2   1.326(8)  . ?
N1_2  C2_2   1.329(10) . ?
C2_2  C3_2   1.390(12) . ?
C2_2  H2_2   0.9500    . ?
C3_2  C4_2   1.391(10) . ?
C3_2  H3_2   0.9500    . ?
C4_2  C5_2   1.382(10) . ?
C4_2  H4_2   0.9500    . ?
C5_2  C6_2   1.381(8)  . ?
C5_2  C7_2   1.490(7)  . ?
C6_2  H6_2   0.9500    . ?
C7_2  C8_2   1.382(12) . ?
C7_2  C12_2  1.397(14) . ?
C8_2  C9_2   1.441(14) . ?
C8_2  H8_2   0.9500    . ?
C9_2  C10_2  1.331(12) . ?
C9_2  H9_2   0.9500    . ?
C10_2 O27_2  1.384(12) . ?
C10_2 C11_2  1.430(15) . ?
C11_2 C12_2  1.369(16) . ?
C11_2 P20_2  1.773(12) . ?
C12_2 O13_2  1.410(14) . ?
O13_2 C14_2  1.355(12) . ?
C14_2 C15_2  1.347(12) . ?
C14_2 C19_2  1.424(16) . ?
C15_2 C16_2  1.418(14) . ?
C15_2 H15_2  0.9500    . ?
C16_2 C17_2  1.369(13) . ?
C16_2 H16_2  0.9500    . ?
C17_2 C18_2  1.420(15) . ?
C17_2 C36_2  1.482(7)  . ?
C18_2 O28_2  1.409(15) . ?
C18_2 C19_2  1.421(17) . ?
C19_2 P20_2  1.756(13) . ?
P20_2 O29_2  1.459(10) . ?
P20_2 C21_2  1.766(14) . ?
C21_2 C22_2  1.390(16) . ?
C21_2 C26_2  1.401(16) . ?
C22_2 C23_2  1.369(12) . ?
C22_2 O28_2  1.393(12) . ?
C23_2 C24_2  1.411(14) . ?
C23_2 H23_2  0.9500    . ?
C24_2 C25_2  1.384(13) . ?
C24_2 H24_2  0.9500    . ?
C25_2 C26_2  1.418(16) . ?
C25_2 C30_2  1.485(7)  . ?
C26_2 O27_2  1.419(14) . ?
C30_2 C31_2  1.376(10) . ?
C30_2 C35_2  1.387(9)  . ?
C31_2 C32_2  1.388(10) . ?
C31_2 H31_2  0.9500    . ?
C32_2 C33_2  1.385(12) . ?
C32_2 H32_2  0.9500    . ?
C33_2 N34_2  1.334(10) . ?
C33_2 H33_2  0.9500    . ?
N34_2 C35_2  1.324(8)  . ?
C35_2 H35_2  0.9500    . ?
C36_2 C41_2  1.377(9)  . ?
C36_2 C37_2  1.395(10) . ?
C37_2 C38_2  1.384(10) . ?
C37_2 H37_2  0.9500    . ?
C38_2 C39_2  1.376(12) . ?
C38_2 H38_2  0.9500    . ?
C39_2 N40_2  1.329(10) . ?
C39_2 H39_2  0.9500    . ?
N40_2 C41_2  1.341(9)  . ?
C41_2 H41_2  0.9500    . ?
N1_3  C2_3   1.333(10) . ?
N1_3  C6_3   1.338(9)  . ?
C2_3  C3_3   1.372(12) . ?
C2_3  H2_3   0.9500    . ?
C3_3  C4_3   1.382(10) . ?
C3_3  H3_3   0.9500    . ?
C4_3  C5_3   1.399(10) . ?
C4_3  H4_3   0.9500    . ?
C5_3  C6_3   1.380(9)  . ?
C5_3  C7_3   1.483(7)  . ?
C6_3  H6_3   0.9500    . ?
C7_3  C8_3   1.366(13) . ?
C7_3  C12_3  1.423(15) . ?
C8_3  C9_3   1.412(14) . ?
C8_3  H8_3   0.9500    . ?
C9_3  C10_3  1.349(12) . ?
C9_3  H9_3   0.9500    . ?
C10_3 O27_3  1.377(12) . ?
C10_3 C11_3  1.407(16) . ?
C11_3 C12_3  1.417(16) . ?
C11_3 P20_3  1.736(13) . ?
C12_3 O13_3  1.369(14) . ?
O13_3 C14_3  1.390(12) . ?
C14_3 C15_3  1.356(12) . ?
C14_3 C19_3  1.415(16) . ?
C15_3 C16_3  1.418(13) . ?
C15_3 H15_3  0.9500    . ?
C16_3 C17_3  1.390(12) . ?
C16_3 H16_3  0.9500    . ?
C17_3 C18_3  1.409(15) . ?
C17_3 C36_3  1.486(7)  . ?
C18_3 C19_3  1.400(16) . ?
C18_3 O28_3  1.411(14) . ?
C19_3 P20_3  1.706(13) . ?
P20_3 O29_3  1.502(10) . ?
P20_3 C21_3  1.730(13) . ?
C21_3 C26_3  1.428(17) . ?
C21_3 C22_3  1.431(16) . ?
C22_3 C23_3  1.353(12) . ?
C22_3 O28_3  1.393(12) . ?
C23_3 C24_3  1.422(14) . ?
C23_3 H23_3  0.9500    . ?
C24_3 C25_3  1.387(13) . ?
C24_3 H24_3  0.9500    . ?
C25_3 C26_3  1.396(16) . ?
C25_3 C30_3  1.489(7)  . ?
C26_3 O27_3  1.395(15) . ?
C30_3 C35_3  1.388(9)  . ?
C30_3 C31_3  1.389(10) . ?
C31_3 C32_3  1.394(10) . ?
C31_3 H31_3  0.9500    . ?
C32_3 C33_3  1.372(12) . ?
C32_3 H32_3  0.9500    . ?
C33_3 N34_3  1.333(10) . ?
C33_3 H33_3  0.9500    . ?
N34_3 C35_3  1.336(9)  . ?
C35_3 H35_3  0.9500    . ?
C36_3 C41_3  1.388(8)  . ?
C36_3 C37_3  1.397(10) . ?
C37_3 C38_3  1.405(10) . ?
C37_3 H37_3  0.9500    . ?
C38_3 C39_3  1.377(12) . ?
C38_3 H38_3  0.9500    . ?
C39_3 N40_3  1.316(10) . ?
C39_3 H39_3  0.9500    . ?
N40_3 C41_3  1.331(8)  . ?
C41_3 H41_3  0.9500    . ?
N1_4  C2_4   1.315(10) . ?
N1_4  C6_4   1.337(9)  . ?
C2_4  C3_4   1.372(12) . ?
C2_4  H2_4   0.9500    . ?
C3_4  C4_4   1.381(10) . ?
C3_4  H3_4   0.9500    . ?
C4_4  C5_4   1.383(10) . ?
C4_4  H4_4   0.9500    . ?
C5_4  C6_4   1.378(9)  . ?
C5_4  C7_4   1.481(7)  . ?
C6_4  H6_4   0.9500    . ?
C7_4  C12_4  1.380(15) . ?
C7_4  C8_4   1.391(13) . ?
C8_4  C9_4   1.415(14) . ?
C8_4  H8_4   0.9500    . ?
C9_4  C10_4  1.360(12) . ?
C9_4  H9_4   0.9500    . ?
C10_4 O27_4  1.397(12) . ?
C10_4 C11_4  1.401(16) . ?
C11_4 C12_4  1.444(16) . ?
C11_4 P20_4  1.717(13) . ?
C12_4 O13_4  1.384(14) . ?
O13_4 C14_4  1.399(12) . ?
C14_4 C15_4  1.346(12) . ?
C14_4 C19_4  1.404(16) . ?
C15_4 C16_4  1.435(14) . ?
C15_4 H15_4  0.9500    . ?
C16_4 C17_4  1.370(13) . ?
C16_4 H16_4  0.9500    . ?
C17_4 C18_4  1.398(16) . ?
C17_4 C36_4  1.485(7)  . ?
C18_4 O28_4  1.379(14) . ?
C18_4 C19_4  1.433(17) . ?
C19_4 P20_4  1.745(13) . ?
P20_4 O29_4  1.499(11) . ?
P20_4 C21_4  1.771(13) . ?
C21_4 C26_4  1.389(16) . ?
C21_4 C22_4  1.416(16) . ?
C22_4 C23_4  1.358(12) . ?
C22_4 O28_4  1.395(12) . ?
C23_4 C24_4  1.421(14) . ?
C23_4 H23_4  0.9500    . ?
C24_4 C25_4  1.364(13) . ?
C24_4 H24_4  0.9500    . ?
C25_4 C26_4  1.394(15) . ?
C25_4 C30_4  1.480(7)  . ?
C26_4 O27_4  1.379(15) . ?
C30_4 C31_4  1.386(10) . ?
C30_4 C35_4  1.390(9)  . ?
C31_4 C32_4  1.393(10) . ?
C31_4 H31_4  0.9500    . ?
C32_4 C33_4  1.370(12) . ?
C32_4 H32_4  0.9500    . ?
C33_4 N34_4  1.331(10) . ?
C33_4 H33_4  0.9500    . ?
N34_4 C35_4  1.344(9)  . ?
C35_4 H35_4  0.9500    . ?
C36_4 C37_4  1.384(11) . ?
C36_4 C41_4  1.395(9)  . ?
C37_4 C38_4  1.394(11) . ?
C37_4 H37_4  0.9500    . ?
C38_4 C39_4  1.374(12) . ?
C38_4 H38_4  0.9500    . ?
C39_4 N40_4  1.345(10) . ?
C39_4 H39_4  0.9500    . ?
N40_4 C41_4  1.339(9)  . ?
C41_4 H41_4  0.9500    . ?
N1_5  C6_5   1.333(9)  . ?
N1_5  C2_5   1.334(10) . ?
C2_5  C3_5   1.378(12) . ?
C2_5  H2_5   0.9500    . ?
C3_5  C4_5   1.400(10) . ?
C3_5  H3_5   0.9500    . ?
C4_5  C5_5   1.378(10) . ?
C4_5  H4_5   0.9500    . ?
C5_5  C6_5   1.390(9)  . ?
C5_5  C7_5   1.486(7)  . ?
C6_5  H6_5   0.9500    . ?
C7_5  C8_5   1.379(13) . ?
C7_5  C12_5  1.397(15) . ?
C8_5  C9_5   1.406(14) . ?
C8_5  H8_5   0.9500    . ?
C9_5  C10_5  1.373(12) . ?
C9_5  H9_5   0.9500    . ?
C10_5 O27_5  1.371(12) . ?
C10_5 C11_5  1.415(16) . ?
C11_5 C12_5  1.432(17) . ?
C11_5 P20_5  1.734(13) . ?
C12_5 O13_5  1.425(15) . ?
O13_5 C14_5  1.392(12) . ?
C14_5 C15_5  1.341(12) . ?
C14_5 C19_5  1.410(16) . ?
C15_5 C16_5  1.402(14) . ?
C15_5 H15_5  0.9500    . ?
C16_5 C17_5  1.387(13) . ?
C16_5 H16_5  0.9500    . ?
C17_5 C18_5  1.424(16) . ?
C17_5 C36_5  1.484(7)  . ?
C18_5 O28_5  1.359(14) . ?
C18_5 C19_5  1.431(16) . ?
C19_5 P20_5  1.745(14) . ?
P20_5 O29_5  1.478(10) . ?
P20_5 C21_5  1.780(14) . ?
C21_5 C26_5  1.370(17) . ?
C21_5 C22_5  1.406(16) . ?
C22_5 C23_5  1.354(12) . ?
C22_5 O28_5  1.392(12) . ?
C23_5 C24_5  1.415(14) . ?
C23_5 H23_5  0.9500    . ?
C24_5 C25_5  1.392(13) . ?
C24_5 H24_5  0.9500    . ?
C25_5 C26_5  1.380(16) . ?
C25_5 C30_5  1.492(7)  . ?
C26_5 O27_5  1.381(15) . ?
C30_5 C31_5  1.385(10) . ?
C30_5 C35_5  1.389(9)  . ?
C31_5 C32_5  1.391(10) . ?
C31_5 H31_5  0.9500    . ?
C32_5 C33_5  1.376(12) . ?
C32_5 H32_5  0.9500    . ?
C33_5 N34_5  1.337(10) . ?
C33_5 H33_5  0.9500    . ?
N34_5 C35_5  1.335(9)  . ?
C35_5 H35_5  0.9500    . ?
C36_5 C41_5  1.384(9)  . ?
C36_5 C37_5  1.392(10) . ?
C37_5 C38_5  1.388(10) . ?
C37_5 H37_5  0.9500    . ?
C38_5 C39_5  1.388(12) . ?
C38_5 H38_5  0.9500    . ?
C39_5 N40_5  1.331(10) . ?
C39_5 H39_5  0.9500    . ?
N40_5 C41_5  1.339(8)  . ?
C41_5 H41_5  0.9500    . ?
N1_6  C6_6   1.331(9)  . ?
N1_6  C2_6   1.342(10) . ?
C2_6  C3_6   1.380(12) . ?
C2_6  H2_6   0.9500    . ?
C3_6  C4_6   1.388(10) . ?
C3_6  H3_6   0.9500    . ?
C4_6  C5_6   1.387(10) . ?
C4_6  H4_6   0.9500    . ?
C5_6  C6_6   1.388(9)  . ?
C5_6  C7_6   1.485(7)  . ?
C6_6  H6_6   0.9500    . ?
C7_6  C12_6  1.387(16) . ?
C7_6  C8_6   1.397(13) . ?
C8_6  C9_6   1.413(14) . ?
C8_6  H8_6   0.9500    . ?
C9_6  C10_6  1.367(12) . ?
C9_6  H9_6   0.9500    . ?
C10_6 C11_6  1.378(16) . ?
C10_6 O27_6  1.386(12) . ?
C11_6 C12_6  1.407(17) . ?
C11_6 P20_6  1.752(13) . ?
C12_6 O13_6  1.427(15) . ?
O13_6 C14_6  1.376(11) . ?
C14_6 C15_6  1.352(12) . ?
C14_6 C19_6  1.394(16) . ?
C15_6 C16_6  1.405(13) . ?
C15_6 H15_6  0.9500    . ?
C16_6 C17_6  1.373(12) . ?
C16_6 H16_6  0.9500    . ?
C17_6 C18_6  1.394(15) . ?
C17_6 C36_6  1.484(7)  . ?
C18_6 O28_6  1.381(14) . ?
C18_6 C19_6  1.423(16) . ?
C19_6 P20_6  1.760(13) . ?
P20_6 O29_6  1.486(11) . ?
P20_6 C21_6  1.765(14) . ?
C21_6 C22_6  1.405(16) . ?
C21_6 C26_6  1.409(16) . ?
C22_6 C23_6  1.365(12) . ?
C22_6 O28_6  1.395(12) . ?
C23_6 C24_6  1.424(14) . ?
C23_6 H23_6  0.9500    . ?
C24_6 C25_6  1.380(13) . ?
C24_6 H24_6  0.9500    . ?
C25_6 C26_6  1.387(15) . ?
C25_6 C30_6  1.486(7)  . ?
C26_6 O27_6  1.369(15) . ?
C30_6 C35_6  1.385(9)  . ?
C30_6 C31_6  1.394(10) . ?
C31_6 C32_6  1.382(10) . ?
C31_6 H31_6  0.9500    . ?
C32_6 C33_6  1.376(12) . ?
C32_6 H32_6  0.9500    . ?
C33_6 N34_6  1.327(10) . ?
C33_6 H33_6  0.9500    . ?
N34_6 C35_6  1.341(9)  . ?
C35_6 H35_6  0.9500    . ?
C36_6 C41_6  1.395(9)  . ?
C36_6 C37_6  1.397(10) . ?
C37_6 C38_6  1.379(10) . ?
C37_6 H37_6  0.9500    . ?
C38_6 C39_6  1.383(12) . ?
C38_6 H38_6  0.9500    . ?
C39_6 N40_6  1.336(10) . ?
C39_6 H39_6  0.9500    . ?
N40_6 C41_6  1.328(8)  . ?
C41_6 H41_6  0.9500    . ?
N1_7  C2_7   1.333(10) . ?
N1_7  C6_7   1.334(9)  . ?
C2_7  C3_7   1.379(12) . ?
C2_7  H2_7   0.9500    . ?
C3_7  C4_7   1.389(11) . ?
C3_7  H3_7   0.9500    . ?
C4_7  C5_7   1.387(10) . ?
C4_7  H4_7   0.9500    . ?
C5_7  C6_7   1.383(9)  . ?
C5_7  C7_7   1.487(7)  . ?
C6_7  H6_7   0.9500    . ?
C7_7  C8_7   1.350(13) . ?
C7_7  C12_7  1.426(15) . ?
C8_7  C9_7   1.436(14) . ?
C8_7  H8_7   0.9500    . ?
C9_7  C10_7  1.343(12) . ?
C9_7  H9_7   0.9500    . ?
C10_7 O27_7  1.395(12) . ?
C10_7 C11_7  1.424(16) . ?
C11_7 C12_7  1.434(16) . ?
C11_7 P20_7  1.731(14) . ?
C12_7 O13_7  1.382(14) . ?
O13_7 C14_7  1.385(12) . ?
C14_7 C15_7  1.346(12) . ?
C14_7 C19_7  1.378(16) . ?
C15_7 C16_7  1.414(14) . ?
C15_7 H15_7  0.9500    . ?
C16_7 C17_7  1.363(13) . ?
C16_7 H16_7  0.9500    . ?
C17_7 C18_7  1.429(15) . ?
C17_7 C36_7  1.481(7)  . ?
C18_7 O28_7  1.388(15) . ?
C18_7 C19_7  1.399(17) . ?
C19_7 P20_7  1.754(13) . ?
P20_7 O29_7  1.470(10) . ?
P20_7 C21_7  1.740(14) . ?
C21_7 C22_7  1.383(17) . ?
C21_7 C26_7  1.414(17) . ?
C22_7 C23_7  1.357(12) . ?
C22_7 O28_7  1.403(12) . ?
C23_7 C24_7  1.435(14) . ?
C23_7 H23_7  0.9500    . ?
C24_7 C25_7  1.386(13) . ?
C24_7 H24_7  0.9500    . ?
C25_7 C26_7  1.367(15) . ?
C25_7 C30_7  1.489(7)  . ?
C26_7 O27_7  1.390(15) . ?
C30_7 C31_7  1.383(10) . ?
C30_7 C35_7  1.392(9)  . ?
C31_7 C32_7  1.391(10) . ?
C31_7 H31_7  0.9500    . ?
C32_7 C33_7  1.378(12) . ?
C32_7 H32_7  0.9500    . ?
C33_7 N34_7  1.326(10) . ?
C33_7 H33_7  0.9500    . ?
N34_7 C35_7  1.341(9)  . ?
C35_7 H35_7  0.9500    . ?
C36_7 C41_7  1.385(9)  . ?
C36_7 C37_7  1.389(10) . ?
C37_7 C38_7  1.393(11) . ?
C37_7 H37_7  0.9500    . ?
C38_7 C39_7  1.387(13) . ?
C38_7 H38_7  0.9500    . ?
C39_7 N40_7  1.319(10) . ?
C39_7 H39_7  0.9500    . ?
N40_7 C41_7  1.329(9)  . ?
C41_7 H41_7  0.9500    . ?
N1_8  C2_8   1.328(10) . ?
N1_8  C6_8   1.335(9)  . ?
C2_8  C3_8   1.388(12) . ?
C2_8  H2_8   0.9500    . ?
C3_8  C4_8   1.405(10) . ?
C3_8  H3_8   0.9500    . ?
C4_8  C5_8   1.391(10) . ?
C4_8  H4_8   0.9500    . ?
C5_8  C6_8   1.392(9)  . ?
C5_8  C7_8   1.488(7)  . ?
C6_8  H6_8   0.9500    . ?
C7_8  C8_8   1.372(13) . ?
C7_8  C12_8  1.425(16) . ?
C8_8  C9_8   1.409(15) . ?
C8_8  H8_8   0.9500    . ?
C9_8  C10_8  1.371(12) . ?
C9_8  H9_8   0.9500    . ?
C10_8 O27_8  1.365(12) . ?
C10_8 C11_8  1.399(17) . ?
C11_8 C12_8  1.386(17) . ?
C11_8 P20_8  1.765(14) . ?
C12_8 O13_8  1.386(16) . ?
O13_8 C14_8  1.386(13) . ?
C14_8 C15_8  1.364(13) . ?
C14_8 C19_8  1.406(17) . ?
C15_8 C16_8  1.429(14) . ?
C15_8 H15_8  0.9500    . ?
C16_8 C17_8  1.398(14) . ?
C16_8 H16_8  0.9500    . ?
C17_8 C18_8  1.431(17) . ?
C17_8 C36_8  1.484(7)  . ?
C18_8 O28_8  1.380(16) . ?
C18_8 C19_8  1.424(18) . ?
C19_8 P20_8  1.744(15) . ?
P20_8 O29_8  1.450(11) . ?
P20_8 C21_8  1.716(13) . ?
C21_8 C22_8  1.381(17) . ?
C21_8 C26_8  1.410(17) . ?
C22_8 C23_8  1.359(12) . ?
C22_8 O28_8  1.393(12) . ?
C23_8 C24_8  1.430(14) . ?
C23_8 H23_8  0.9500    . ?
C24_8 C25_8  1.388(13) . ?
C24_8 H24_8  0.9500    . ?
C25_8 C26_8  1.420(16) . ?
C25_8 C30_8  1.485(7)  . ?
C26_8 O27_8  1.363(15) . ?
C30_8 C35_8  1.383(9)  . ?
C30_8 C31_8  1.390(10) . ?
C31_8 C32_8  1.396(11) . ?
C31_8 H31_8  0.9500    . ?
C32_8 C33_8  1.375(13) . ?
C32_8 H32_8  0.9500    . ?
C33_8 N34_8  1.335(10) . ?
C33_8 H33_8  0.9500    . ?
N34_8 C35_8  1.329(9)  . ?
C35_8 H35_8  0.9500    . ?
C36_8 C37_8  1.386(10) . ?
C36_8 C41_8  1.394(9)  . ?
C37_8 C38_8  1.386(11) . ?
C37_8 H37_8  0.9500    . ?
C38_8 C39_8  1.388(12) . ?
C38_8 H38_8  0.9500    . ?
C39_8 N40_8  1.341(10) . ?
C39_8 H39_8  0.9500    . ?
N40_8 C41_8  1.329(9)  . ?
C41_8 H41_8  0.9500    . ?
N1_9  C6_9   1.327(9)  . ?
N1_9  C2_9   1.336(10) . ?
C2_9  C3_9   1.376(12) . ?
C2_9  H2_9   0.9500    . ?
C3_9  C4_9   1.382(10) . ?
C3_9  H3_9   0.9500    . ?
C4_9  C5_9   1.392(10) . ?
C4_9  H4_9   0.9500    . ?
C5_9  C6_9   1.383(9)  . ?
C5_9  C7_9   1.483(7)  . ?
C6_9  H6_9   0.9500    . ?
C7_9  C8_9   1.385(14) . ?
C7_9  C12_9  1.412(17) . ?
C8_9  C9_9   1.419(14) . ?
C8_9  H8_9   0.9500    . ?
C9_9  C10_9  1.351(13) . ?
C9_9  H9_9   0.9500    . ?
C10_9 O27_9  1.381(12) . ?
C10_9 C11_9  1.403(17) . ?
C11_9 C12_9  1.390(17) . ?
C11_9 P20_9  1.737(14) . ?
C12_9 O13_9  1.393(16) . ?
O13_9 C14_9  1.377(12) . ?
C14_9 C15_9  1.367(12) . ?
C14_9 C19_9  1.395(16) . ?
C15_9 C16_9  1.400(14) . ?
C15_9 H15_9  0.9500    . ?
C16_9 C17_9  1.381(13) . ?
C16_9 H16_9  0.9500    . ?
C17_9 C18_9  1.392(16) . ?
C17_9 C36_9  1.487(7)  . ?
C18_9 O28_9  1.370(15) . ?
C18_9 C19_9  1.460(17) . ?
C19_9 P20_9  1.708(13) . ?
P20_9 O29_9  1.474(10) . ?
P20_9 C21_9  1.748(13) . ?
C21_9 C22_9  1.400(17) . ?
C21_9 C26_9  1.414(17) . ?
C22_9 C23_9  1.367(12) . ?
C22_9 O28_9  1.393(13) . ?
C23_9 C24_9  1.440(14) . ?
C23_9 H23_9  0.9500    . ?
C24_9 C25_9  1.363(13) . ?
C24_9 H24_9  0.9500    . ?
C25_9 C26_9  1.431(16) . ?
C25_9 C30_9  1.488(7)  . ?
C26_9 O27_9  1.384(16) . ?
C30_9 C35_9  1.381(9)  . ?
C30_9 C31_9  1.389(10) . ?
C31_9 C32_9  1.387(11) . ?
C31_9 H31_9  0.9500    . ?
C32_9 C33_9  1.383(12) . ?
C32_9 H32_9  0.9500    . ?
C33_9 N34_9  1.340(10) . ?
C33_9 H33_9  0.9500    . ?
N34_9 C35_9  1.336(9)  . ?
C35_9 H35_9  0.9500    . ?
C36_9 C37_9  1.380(10) . ?
C36_9 C41_9  1.399(9)  . ?
C37_9 C38_9  1.376(11) . ?
C37_9 H37_9  0.9500    . ?
C38_9 C39_9  1.386(12) . ?
C38_9 H38_9  0.9500    . ?
C39_9 N40_9  1.335(10) . ?
C39_9 H39_9  0.9500    . ?
N40_9 C41_9  1.330(9)  . ?
C41_9 H41_9  0.9500    . ?
B1_10 F4_10  1.335(17) . ?
B1_10 F3_10  1.367(17) . ?
B1_10 F2_10  1.385(17) . ?
B1_10 F5_10  1.389(17) . ?
B1_11 F4_11  1.332(17) . ?
B1_11 F5_11  1.344(18) . ?
B1_11 F2_11  1.354(17) . ?
B1_11 F3_11  1.363(18) . ?
B1_12 F4_12  1.348(19) . ?
B1_12 F3_12  1.356(19) . ?
B1_12 F5_12  1.356(18) . ?
B1_12 F2_12  1.370(19) . ?
B1_13 F4_13  1.368(18) . ?
B1_13 F2_13  1.370(18) . ?
B1_13 F5_13  1.374(18) . ?
B1_13 F3_13  1.403(19) . ?
B1_14 F2_14  1.361(14) . ?
B1_14 F3_14  1.395(14) . ?
B1_14 F5_14  1.414(14) . ?
B1_14 F4_14  1.481(10) . ?
O1_15 S2_15  1.496(12) . ?
S2_15 C4_15  1.572(18) . ?
S2_15 C3_15  1.73(2)   . ?
C3_15 H3A_15 0.9800    . ?
C3_15 H3B_15 0.9800    . ?
C3_15 H3C_15 0.9800    . ?
C4_15 H4A_15 0.9800    . ?
C4_15 H4B_15 0.9800    . ?
C4_15 H4C_15 0.9800    . ?
O1_16 S2_16  1.505(12) . ?
S2_16 C4_16  1.661(19) . ?
S2_16 C3_16  1.80(2)   . ?
C3_16 H3A_16 0.9800    . ?
C3_16 H3B_16 0.9800    . ?
C3_16 H3C_16 0.9800    . ?
C4_16 H4A_16 0.9800    . ?
C4_16 H4B_16 0.9800    . ?
C4_16 H4C_16 0.9800    . ?
O1_17 S2_17  1.472(11) . ?
S2_17 C4_17  1.715(19) . ?
S2_17 C3_17  1.722(19) . ?
C3_17 H3A_17 0.9800    . ?
C3_17 H3B_17 0.9800    . ?
C3_17 H3C_17 0.9800    . ?
C4_17 H4A_17 0.9800    . ?
C4_17 H4B_17 0.9800    . ?
C4_17 H4C_17 0.9800    . ?
O1_18 S2_18  1.472(13) . ?
S2_18 C4_18  1.78(2)   . ?
S2_18 C3_18  1.80(2)   . ?
C3_18 H3A_18 0.9800    . ?
C3_18 H3B_18 0.9800    . ?
C3_18 H3C_18 0.9800    . ?
C4_18 H4A_18 0.9800    . ?
C4_18 H4B_18 0.9800    . ?
C4_18 H4C_18 0.9800    . ?
O1_19 S2_19  1.412(15) . ?
S2_19 C3_19  1.67(2)   . ?
S2_19 C4_19  1.71(2)   . ?
C3_19 H3A_19 0.9800    . ?
C3_19 H3B_19 0.9800    . ?
C3_19 H3C_19 0.9800    . ?
C4_19 H4A_19 0.9800    . ?
C4_19 H4B_19 0.9800    . ?
C4_19 H4C_19 0.9800    . ?
O1_20 S2_20  1.479(12) . ?
S2_20 C4_20  1.75(2)   . ?
S2_20 C3_20  1.759(19) . ?
C3_20 H3A_20 0.9800    . ?
C3_20 H3B_20 0.9800    . ?
C3_20 H3C_20 0.9800    . ?
C4_20 H4A_20 0.9800    . ?
C4_20 H4B_20 0.9800    . ?
C4_20 H4C_20 0.9800    . ?
O1_21 S2_21  1.394(13) . ?
S2_21 C4_21  1.71(2)   . ?
S2_21 C3_21  1.77(2)   . ?
C3_21 H3A_21 0.9800    . ?
C3_21 H3B_21 0.9800    . ?
C3_21 H3C_21 0.9800    . ?
C4_21 H4A_21 0.9800    . ?
C4_21 H4B_21 0.9800    . ?
C4_21 H4C_21 0.9800    . ?
O1_22 S2_22  1.504(17) . ?
S2_22 C3_22  1.70(2)   . ?
S2_22 C4_22  1.75(2)   . ?
C3_22 H3A_22 0.9800    . ?
C3_22 H3B_22 0.9800    . ?
C3_22 H3C_22 0.9800    . ?
C4_22 H4A_22 0.9800    . ?
C4_22 H4B_22 0.9800    . ?
C4_22 H4C_22 0.9800    . ?

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
N1_3   Pd1_1 N1_2   90.3(5)   . . ?
N1_3   Pd1_1 N1_4   89.7(5)   . . ?
N1_2   Pd1_1 N1_4   178.3(4)  . . ?
N1_3   Pd1_1 N1_5   178.6(5)  . . ?
N1_2   Pd1_1 N1_5   88.5(5)   . . ?
N1_4   Pd1_1 N1_5   91.5(5)   . . ?
N34_7  Pd2_1 N40_3  89.7(5)   . . ?
N34_7  Pd2_1 N34_2  179.1(5)  . . ?
N40_3  Pd2_1 N34_2  91.0(5)   . . ?
N34_7  Pd2_1 N40_6  89.2(5)   . . ?
N40_3  Pd2_1 N40_6  178.9(5)  . . ?
N34_2  Pd2_1 N40_6  90.0(5)   . . ?
N40_4  Pd3_1 N34_3  91.0(5)   . . ?
N40_4  Pd3_1 N40_7  178.4(5)  . . ?
N34_3  Pd3_1 N40_7  88.5(6)   . . ?
N40_4  Pd3_1 N1_9   90.4(5)   . . ?
N34_3  Pd3_1 N1_9   178.2(5)  . . ?
N40_7  Pd3_1 N1_9   90.0(5)   . . ?
N34_9  Pd4_1 N34_4  90.3(6)   . . ?
N34_9  Pd4_1 N40_5  179.3(5)  . . ?
N34_4  Pd4_1 N40_5  89.1(5)   . . ?
N34_9  Pd4_1 N34_8  89.7(6)   . . ?
N34_4  Pd4_1 N34_8  179.1(4)  . . ?
N40_5  Pd4_1 N34_8  90.8(6)   . . ?
N40_2  Pd5_1 N34_6  90.3(5)   . . ?
N40_2  Pd5_1 N40_8  178.1(5)  . . ?
N34_6  Pd5_1 N40_8  91.2(6)   . . ?
N40_2  Pd5_1 N34_5  90.2(5)   . . ?
N34_6  Pd5_1 N34_5  178.8(5)  . . ?
N40_8  Pd5_1 N34_5  88.3(6)   . . ?
N1_7   Pd6_1 N1_8   175.4(6)  . . ?
N1_7   Pd6_1 N40_9  91.7(6)   . . ?
N1_8   Pd6_1 N40_9  92.9(5)   . . ?
N1_7   Pd6_1 N1_6   87.2(6)   . . ?
N1_8   Pd6_1 N1_6   88.2(5)   . . ?
N40_9  Pd6_1 N1_6   178.9(5)  . . ?
C6_2   N1_2  C2_2   119.3(9)  . . ?
C6_2   N1_2  Pd1_1  119.7(7)  . . ?
C2_2   N1_2  Pd1_1  121.0(8)  . . ?
N1_2   C2_2  C3_2   122.3(10) . . ?
N1_2   C2_2  H2_2   118.8     . . ?
C3_2   C2_2  H2_2   118.8     . . ?
C2_2   C3_2  C4_2   117.9(9)  . . ?
C2_2   C3_2  H3_2   121.0     . . ?
C4_2   C3_2  H3_2   121.0     . . ?
C5_2   C4_2  C3_2   119.3(9)  . . ?
C5_2   C4_2  H4_2   120.4     . . ?
C3_2   C4_2  H4_2   120.4     . . ?
C6_2   C5_2  C4_2   118.6(8)  . . ?
C6_2   C5_2  C7_2   120.0(8)  . . ?
C4_2   C5_2  C7_2   121.5(8)  . . ?
N1_2   C6_2  C5_2   122.5(9)  . . ?
N1_2   C6_2  H6_2   118.8     . . ?
C5_2   C6_2  H6_2   118.8     . . ?
C8_2   C7_2  C12_2  117.8(9)  . . ?
C8_2   C7_2  C5_2   121.0(10) . . ?
C12_2  C7_2  C5_2   121.2(10) . . ?
C7_2   C8_2  C9_2   121.3(11) . . ?
C7_2   C8_2  H8_2   119.4     . . ?
C9_2   C8_2  H8_2   119.3     . . ?
C10_2  C9_2  C8_2   119.7(11) . . ?
C10_2  C9_2  H9_2   120.2     . . ?
C8_2   C9_2  H9_2   120.2     . . ?
C9_2   C10_2 O27_2  120.7(11) . . ?
C9_2   C10_2 C11_2  119.0(11) . . ?
O27_2  C10_2 C11_2  120.2(10) . . ?
C12_2  C11_2 C10_2  121.2(11) . . ?
C12_2  C11_2 P20_2  119.6(9)  . . ?
C10_2  C11_2 P20_2  118.8(9)  . . ?
C11_2  C12_2 C7_2   120.1(11) . . ?
C11_2  C12_2 O13_2  119.8(10) . . ?
C7_2   C12_2 O13_2  120.1(10) . . ?
C14_2  O13_2 C12_2  118.7(10) . . ?
C15_2  C14_2 O13_2  121.4(12) . . ?
C15_2  C14_2 C19_2  120.0(12) . . ?
O13_2  C14_2 C19_2  118.4(11) . . ?
C14_2  C15_2 C16_2  117.0(12) . . ?
C14_2  C15_2 H15_2  121.5     . . ?
C16_2  C15_2 H15_2  121.5     . . ?
C17_2  C16_2 C15_2  126.1(12) . . ?
C17_2  C16_2 H16_2  117.0     . . ?
C15_2  C16_2 H16_2  117.0     . . ?
C16_2  C17_2 C18_2  116.8(10) . . ?
C16_2  C17_2 C36_2  122.7(10) . . ?
C18_2  C17_2 C36_2  120.4(10) . . ?
O28_2  C18_2 C17_2  119.9(12) . . ?
O28_2  C18_2 C19_2  122.1(11) . . ?
C17_2  C18_2 C19_2  117.8(11) . . ?
C18_2  C19_2 C14_2  121.8(11) . . ?
C18_2  C19_2 P20_2  118.0(10) . . ?
C14_2  C19_2 P20_2  120.0(10) . . ?
O29_2  P20_2 C19_2  120.0(6)  . . ?
O29_2  P20_2 C21_2  120.3(6)  . . ?
C19_2  P20_2 C21_2  96.1(6)   . . ?
O29_2  P20_2 C11_2  121.0(6)  . . ?
C19_2  P20_2 C11_2  95.9(6)   . . ?
C21_2  P20_2 C11_2  97.7(6)   . . ?
C22_2  C21_2 C26_2  119.2(12) . . ?
C22_2  C21_2 P20_2  122.0(10) . . ?
C26_2  C21_2 P20_2  118.4(10) . . ?
C23_2  C22_2 C21_2  121.6(11) . . ?
C23_2  C22_2 O28_2  119.0(12) . . ?
C21_2  C22_2 O28_2  119.3(11) . . ?
C22_2  C23_2 C24_2  116.9(12) . . ?
C22_2  C23_2 H23_2  121.5     . . ?
C24_2  C23_2 H23_2  121.5     . . ?
C25_2  C24_2 C23_2  124.3(12) . . ?
C25_2  C24_2 H24_2  117.9     . . ?
C23_2  C24_2 H24_2  117.9     . . ?
C24_2  C25_2 C26_2  115.4(10) . . ?
C24_2  C25_2 C30_2  120.4(10) . . ?
C26_2  C25_2 C30_2  124.0(11) . . ?
C21_2  C26_2 C25_2  121.1(11) . . ?
C21_2  C26_2 O27_2  121.2(11) . . ?
C25_2  C26_2 O27_2  117.6(11) . . ?
C10_2  O27_2 C26_2  118.1(9)  . . ?
C22_2  O28_2 C18_2  115.9(10) . . ?
C31_2  C30_2 C35_2  117.7(8)  . . ?
C31_2  C30_2 C25_2  122.2(9)  . . ?
C35_2  C30_2 C25_2  120.1(9)  . . ?
C30_2  C31_2 C32_2  119.9(9)  . . ?
C30_2  C31_2 H31_2  120.0     . . ?
C32_2  C31_2 H31_2  120.0     . . ?
C33_2  C32_2 C31_2  118.0(10) . . ?
C33_2  C32_2 H32_2  121.0     . . ?
C31_2  C32_2 H32_2  121.0     . . ?
N34_2  C33_2 C32_2  122.2(10) . . ?
N34_2  C33_2 H33_2  118.9     . . ?
C32_2  C33_2 H33_2  118.9     . . ?
C35_2  N34_2 C33_2  119.0(9)  . . ?
C35_2  N34_2 Pd2_1  120.3(7)  . . ?
C33_2  N34_2 Pd2_1  120.7(8)  . . ?
N34_2  C35_2 C30_2  123.0(9)  . . ?
N34_2  C35_2 H35_2  118.5     . . ?
C30_2  C35_2 H35_2  118.5     . . ?
C41_2  C36_2 C37_2  118.3(8)  . . ?
C41_2  C36_2 C17_2  120.5(9)  . . ?
C37_2  C36_2 C17_2  121.2(9)  . . ?
C38_2  C37_2 C36_2  118.0(9)  . . ?
C38_2  C37_2 H37_2  121.0     . . ?
C36_2  C37_2 H37_2  121.0     . . ?
C39_2  C38_2 C37_2  119.4(10) . . ?
C39_2  C38_2 H38_2  120.3     . . ?
C37_2  C38_2 H38_2  120.3     . . ?
N40_2  C39_2 C38_2  123.2(11) . . ?
N40_2  C39_2 H39_2  118.4     . . ?
C38_2  C39_2 H39_2  118.4     . . ?
C39_2  N40_2 C41_2  117.2(9)  . . ?
C39_2  N40_2 Pd5_1  121.6(8)  . . ?
C41_2  N40_2 Pd5_1  121.2(8)  . . ?
N40_2  C41_2 C36_2  123.8(9)  . . ?
N40_2  C41_2 H41_2  118.1     . . ?
C36_2  C41_2 H41_2  118.1     . . ?
C2_3   N1_3  C6_3   118.2(10) . . ?
C2_3   N1_3  Pd1_1  120.9(9)  . . ?
C6_3   N1_3  Pd1_1  120.9(8)  . . ?
N1_3   C2_3  C3_3   123.5(11) . . ?
N1_3   C2_3  H2_3   118.3     . . ?
C3_3   C2_3  H2_3   118.3     . . ?
C2_3   C3_3  C4_3   117.9(10) . . ?
C2_3   C3_3  H3_3   121.1     . . ?
C4_3   C3_3  H3_3   121.1     . . ?
C3_3   C4_3  C5_3   119.3(10) . . ?
C3_3   C4_3  H4_3   120.3     . . ?
C5_3   C4_3  H4_3   120.3     . . ?
C6_3   C5_3  C4_3   117.9(8)  . . ?
C6_3   C5_3  C7_3   121.5(9)  . . ?
C4_3   C5_3  C7_3   120.5(9)  . . ?
N1_3   C6_3  C5_3   122.8(9)  . . ?
N1_3   C6_3  H6_3   118.6     . . ?
C5_3   C6_3  H6_3   118.6     . . ?
C8_3   C7_3  C12_3  116.6(10) . . ?
C8_3   C7_3  C5_3   123.8(10) . . ?
C12_3  C7_3  C5_3   119.5(10) . . ?
C7_3   C8_3  C9_3   124.1(12) . . ?
C7_3   C8_3  H8_3   117.9     . . ?
C9_3   C8_3  H8_3   117.9     . . ?
C10_3  C9_3  C8_3   118.7(12) . . ?
C10_3  C9_3  H9_3   120.7     . . ?
C8_3   C9_3  H9_3   120.7     . . ?
C9_3   C10_3 O27_3  120.4(12) . . ?
C9_3   C10_3 C11_3  120.4(12) . . ?
O27_3  C10_3 C11_3  119.2(12) . . ?
C10_3  C11_3 C12_3  119.8(11) . . ?
C10_3  C11_3 P20_3  120.8(10) . . ?
C12_3  C11_3 P20_3  119.2(10) . . ?
O13_3  C12_3 C11_3  117.9(11) . . ?
O13_3  C12_3 C7_3   122.2(11) . . ?
C11_3  C12_3 C7_3   119.7(11) . . ?
C12_3  O13_3 C14_3  120.2(10) . . ?
C15_3  C14_3 O13_3  120.5(11) . . ?
C15_3  C14_3 C19_3  122.4(11) . . ?
O13_3  C14_3 C19_3  117.1(10) . . ?
C14_3  C15_3 C16_3  117.7(11) . . ?
C14_3  C15_3 H15_3  121.1     . . ?
C16_3  C15_3 H15_3  121.1     . . ?
C17_3  C16_3 C15_3  123.0(10) . . ?
C17_3  C16_3 H16_3  118.5     . . ?
C15_3  C16_3 H16_3  118.5     . . ?
C16_3  C17_3 C18_3  116.8(9)  . . ?
C16_3  C17_3 C36_3  122.4(9)  . . ?
C18_3  C17_3 C36_3  120.8(9)  . . ?
C19_3  C18_3 C17_3  121.7(11) . . ?
C19_3  C18_3 O28_3  118.8(11) . . ?
C17_3  C18_3 O28_3  119.4(11) . . ?
C18_3  C19_3 C14_3  117.8(11) . . ?
C18_3  C19_3 P20_3  121.2(10) . . ?
C14_3  C19_3 P20_3  120.7(10) . . ?
O29_3  P20_3 C19_3  119.4(6)  . . ?
O29_3  P20_3 C21_3  119.8(6)  . . ?
C19_3  P20_3 C21_3  97.1(6)   . . ?
O29_3  P20_3 C11_3  121.6(6)  . . ?
C19_3  P20_3 C11_3  97.4(6)   . . ?
C21_3  P20_3 C11_3  95.8(7)   . . ?
C26_3  C21_3 C22_3  118.6(11) . . ?
C26_3  C21_3 P20_3  120.7(10) . . ?
C22_3  C21_3 P20_3  120.6(10) . . ?
C23_3  C22_3 O28_3  119.2(12) . . ?
C23_3  C22_3 C21_3  122.8(12) . . ?
O28_3  C22_3 C21_3  118.0(11) . . ?
C22_3  C23_3 C24_3  116.4(12) . . ?
C22_3  C23_3 H23_3  121.8     . . ?
C24_3  C23_3 H23_3  121.8     . . ?
C25_3  C24_3 C23_3  123.8(12) . . ?
C25_3  C24_3 H24_3  118.1     . . ?
C23_3  C24_3 H24_3  118.1     . . ?
C24_3  C25_3 C26_3  118.8(10) . . ?
C24_3  C25_3 C30_3  120.4(11) . . ?
C26_3  C25_3 C30_3  120.8(11) . . ?
O27_3  C26_3 C25_3  123.1(13) . . ?
O27_3  C26_3 C21_3  117.8(12) . . ?
C25_3  C26_3 C21_3  119.0(12) . . ?
C10_3  O27_3 C26_3  117.5(10) . . ?
C22_3  O28_3 C18_3  118.9(10) . . ?
C35_3  C30_3 C31_3  117.9(8)  . . ?
C35_3  C30_3 C25_3  119.9(9)  . . ?
C31_3  C30_3 C25_3  122.1(9)  . . ?
C30_3  C31_3 C32_3  119.6(10) . . ?
C30_3  C31_3 H31_3  120.2     . . ?
C32_3  C31_3 H31_3  120.2     . . ?
C33_3  C32_3 C31_3  117.9(10) . . ?
C33_3  C32_3 H32_3  121.1     . . ?
C31_3  C32_3 H32_3  121.1     . . ?
N34_3  C33_3 C32_3  123.5(10) . . ?
N34_3  C33_3 H33_3  118.3     . . ?
C32_3  C33_3 H33_3  118.3     . . ?
C33_3  N34_3 C35_3  118.4(9)  . . ?
C33_3  N34_3 Pd3_1  122.0(8)  . . ?
C35_3  N34_3 Pd3_1  119.6(8)  . . ?
N34_3  C35_3 C30_3  122.7(9)  . . ?
N34_3  C35_3 H35_3  118.6     . . ?
C30_3  C35_3 H35_3  118.6     . . ?
C41_3  C36_3 C37_3  117.7(8)  . . ?
C41_3  C36_3 C17_3  121.4(8)  . . ?
C37_3  C36_3 C17_3  120.8(8)  . . ?
C36_3  C37_3 C38_3  118.2(9)  . . ?
C36_3  C37_3 H37_3  120.9     . . ?
C38_3  C37_3 H37_3  120.9     . . ?
C39_3  C38_3 C37_3  118.9(10) . . ?
C39_3  C38_3 H38_3  120.6     . . ?
C37_3  C38_3 H38_3  120.6     . . ?
N40_3  C39_3 C38_3  122.8(10) . . ?
N40_3  C39_3 H39_3  118.6     . . ?
C38_3  C39_3 H39_3  118.6     . . ?
C39_3  N40_3 C41_3  119.1(9)  . . ?
C39_3  N40_3 Pd2_1  120.4(8)  . . ?
C41_3  N40_3 Pd2_1  120.5(7)  . . ?
N40_3  C41_3 C36_3  123.3(8)  . . ?
N40_3  C41_3 H41_3  118.4     . . ?
C36_3  C41_3 H41_3  118.4     . . ?
C2_4   N1_4  C6_4   118.1(9)  . . ?
C2_4   N1_4  Pd1_1  121.8(8)  . . ?
C6_4   N1_4  Pd1_1  120.0(8)  . . ?
N1_4   C2_4  C3_4   124.1(10) . . ?
N1_4   C2_4  H2_4   117.9     . . ?
C3_4   C2_4  H2_4   117.9     . . ?
C2_4   C3_4  C4_4   117.1(10) . . ?
C2_4   C3_4  H3_4   121.5     . . ?
C4_4   C3_4  H3_4   121.5     . . ?
C3_4   C4_4  C5_4   120.4(10) . . ?
C3_4   C4_4  H4_4   119.8     . . ?
C5_4   C4_4  H4_4   119.8     . . ?
C6_4   C5_4  C4_4   117.3(8)  . . ?
C6_4   C5_4  C7_4   120.8(9)  . . ?
C4_4   C5_4  C7_4   121.8(9)  . . ?
N1_4   C6_4  C5_4   122.9(9)  . . ?
N1_4   C6_4  H6_4   118.5     . . ?
C5_4   C6_4  H6_4   118.5     . . ?
C12_4  C7_4  C8_4   118.7(10) . . ?
C12_4  C7_4  C5_4   120.7(10) . . ?
C8_4   C7_4  C5_4   120.5(10) . . ?
C7_4   C8_4  C9_4   122.0(12) . . ?
C7_4   C8_4  H8_4   119.0     . . ?
C9_4   C8_4  H8_4   119.0     . . ?
C10_4  C9_4  C8_4   119.0(12) . . ?
C10_4  C9_4  H9_4   120.5     . . ?
C8_4   C9_4  H9_4   120.5     . . ?
C9_4   C10_4 O27_4  120.2(12) . . ?
C9_4   C10_4 C11_4  121.0(11) . . ?
O27_4  C10_4 C11_4  118.5(11) . . ?
C10_4  C11_4 C12_4  119.1(11) . . ?
C10_4  C11_4 P20_4  121.2(9)  . . ?
C12_4  C11_4 P20_4  119.4(9)  . . ?
C7_4   C12_4 O13_4  121.4(11) . . ?
C7_4   C12_4 C11_4  119.6(11) . . ?
O13_4  C12_4 C11_4  119.0(11) . . ?
C12_4  O13_4 C14_4  116.4(10) . . ?
C15_4  C14_4 O13_4  120.6(12) . . ?
C15_4  C14_4 C19_4  119.9(12) . . ?
O13_4  C14_4 C19_4  119.5(11) . . ?
C14_4  C15_4 C16_4  118.7(12) . . ?
C14_4  C15_4 H15_4  120.6     . . ?
C16_4  C15_4 H15_4  120.6     . . ?
C17_4  C16_4 C15_4  123.6(12) . . ?
C17_4  C16_4 H16_4  118.2     . . ?
C15_4  C16_4 H16_4  118.2     . . ?
C16_4  C17_4 C18_4  117.2(10) . . ?
C16_4  C17_4 C36_4  122.9(11) . . ?
C18_4  C17_4 C36_4  119.9(11) . . ?
O28_4  C18_4 C17_4  121.6(12) . . ?
O28_4  C18_4 C19_4  118.6(11) . . ?
C17_4  C18_4 C19_4  119.5(11) . . ?
C14_4  C19_4 C18_4  120.7(12) . . ?
C14_4  C19_4 P20_4  119.7(10) . . ?
C18_4  C19_4 P20_4  119.5(10) . . ?
O29_4  P20_4 C11_4  121.5(6)  . . ?
O29_4  P20_4 C19_4  120.7(6)  . . ?
C11_4  P20_4 C19_4  97.1(6)   . . ?
O29_4  P20_4 C21_4  119.5(6)  . . ?
C11_4  P20_4 C21_4  95.9(6)   . . ?
C19_4  P20_4 C21_4  96.3(6)   . . ?
C26_4  C21_4 C22_4  122.4(11) . . ?
C26_4  C21_4 P20_4  119.6(10) . . ?
C22_4  C21_4 P20_4  117.9(9)  . . ?
C23_4  C22_4 O28_4  120.0(12) . . ?
C23_4  C22_4 C21_4  119.4(11) . . ?
O28_4  C22_4 C21_4  120.6(11) . . ?
C22_4  C23_4 C24_4  116.7(12) . . ?
C22_4  C23_4 H23_4  121.6     . . ?
C24_4  C23_4 H23_4  121.6     . . ?
C25_4  C24_4 C23_4  124.5(12) . . ?
C25_4  C24_4 H24_4  117.8     . . ?
C23_4  C24_4 H24_4  117.8     . . ?
C24_4  C25_4 C26_4  118.3(10) . . ?
C24_4  C25_4 C30_4  120.0(10) . . ?
C26_4  C25_4 C30_4  121.7(11) . . ?
O27_4  C26_4 C21_4  119.5(11) . . ?
O27_4  C26_4 C25_4  122.6(12) . . ?
C21_4  C26_4 C25_4  117.9(12) . . ?
C26_4  O27_4 C10_4  118.1(10) . . ?
C18_4  O28_4 C22_4  117.1(10) . . ?
C31_4  C30_4 C35_4  118.4(8)  . . ?
C31_4  C30_4 C25_4  122.2(9)  . . ?
C35_4  C30_4 C25_4  119.3(9)  . . ?
C30_4  C31_4 C32_4  118.8(10) . . ?
C30_4  C31_4 H31_4  120.6     . . ?
C32_4  C31_4 H31_4  120.6     . . ?
C33_4  C32_4 C31_4  118.5(11) . . ?
C33_4  C32_4 H32_4  120.8     . . ?
C31_4  C32_4 H32_4  120.8     . . ?
N34_4  C33_4 C32_4  123.9(11) . . ?
N34_4  C33_4 H33_4  118.1     . . ?
C32_4  C33_4 H33_4  118.1     . . ?
C33_4  N34_4 C35_4  117.6(10) . . ?
C33_4  N34_4 Pd4_1  121.8(8)  . . ?
C35_4  N34_4 Pd4_1  120.1(8)  . . ?
N34_4  C35_4 C30_4  122.8(9)  . . ?
N34_4  C35_4 H35_4  118.6     . . ?
C30_4  C35_4 H35_4  118.6     . . ?
C37_4  C36_4 C41_4  118.9(8)  . . ?
C37_4  C36_4 C17_4  121.7(10) . . ?
C41_4  C36_4 C17_4  119.3(10) . . ?
C36_4  C37_4 C38_4  118.2(10) . . ?
C36_4  C37_4 H37_4  120.9     . . ?
C38_4  C37_4 H37_4  120.9     . . ?
C39_4  C38_4 C37_4  119.0(11) . . ?
C39_4  C38_4 H38_4  120.5     . . ?
C37_4  C38_4 H38_4  120.5     . . ?
N40_4  C39_4 C38_4  123.7(11) . . ?
N40_4  C39_4 H39_4  118.2     . . ?
C38_4  C39_4 H39_4  118.2     . . ?
C41_4  N40_4 C39_4  117.1(10) . . ?
C41_4  N40_4 Pd3_1  122.6(9)  . . ?
C39_4  N40_4 Pd3_1  120.3(9)  . . ?
N40_4  C41_4 C36_4  123.1(10) . . ?
N40_4  C41_4 H41_4  118.5     . . ?
C36_4  C41_4 H41_4  118.5     . . ?
C6_5   N1_5  C2_5   117.1(10) . . ?
C6_5   N1_5  Pd1_1  121.0(8)  . . ?
C2_5   N1_5  Pd1_1  121.9(8)  . . ?
N1_5   C2_5  C3_5   124.3(11) . . ?
N1_5   C2_5  H2_5   117.9     . . ?
C3_5   C2_5  H2_5   117.9     . . ?
C2_5   C3_5  C4_5   117.8(10) . . ?
C2_5   C3_5  H3_5   121.1     . . ?
C4_5   C3_5  H3_5   121.1     . . ?
C5_5   C4_5  C3_5   118.6(10) . . ?
C5_5   C4_5  H4_5   120.7     . . ?
C3_5   C4_5  H4_5   120.7     . . ?
C4_5   C5_5  C6_5   118.7(8)  . . ?
C4_5   C5_5  C7_5   121.9(9)  . . ?
C6_5   C5_5  C7_5   119.4(9)  . . ?
N1_5   C6_5  C5_5   123.3(9)  . . ?
N1_5   C6_5  H6_5   118.3     . . ?
C5_5   C6_5  H6_5   118.3     . . ?
C8_5   C7_5  C12_5  117.6(10) . . ?
C8_5   C7_5  C5_5   122.4(10) . . ?
C12_5  C7_5  C5_5   120.0(10) . . ?
C7_5   C8_5  C9_5   124.7(11) . . ?
C7_5   C8_5  H8_5   117.7     . . ?
C9_5   C8_5  H8_5   117.7     . . ?
C10_5  C9_5  C8_5   116.9(12) . . ?
C10_5  C9_5  H9_5   121.5     . . ?
C8_5   C9_5  H9_5   121.5     . . ?
O27_5  C10_5 C9_5   121.0(12) . . ?
O27_5  C10_5 C11_5  117.6(11) . . ?
C9_5   C10_5 C11_5  121.4(12) . . ?
C10_5  C11_5 C12_5  118.9(11) . . ?
C10_5  C11_5 P20_5  121.2(10) . . ?
C12_5  C11_5 P20_5  119.5(10) . . ?
C7_5   C12_5 O13_5  121.4(11) . . ?
C7_5   C12_5 C11_5  119.6(12) . . ?
O13_5  C12_5 C11_5  118.9(10) . . ?
C14_5  O13_5 C12_5  117.9(10) . . ?
C15_5  C14_5 O13_5  120.6(12) . . ?
C15_5  C14_5 C19_5  120.3(11) . . ?
O13_5  C14_5 C19_5  118.9(11) . . ?
C14_5  C15_5 C16_5  119.9(12) . . ?
C14_5  C15_5 H15_5  120.1     . . ?
C16_5  C15_5 H15_5  120.1     . . ?
C17_5  C16_5 C15_5  122.8(12) . . ?
C17_5  C16_5 H16_5  118.6     . . ?
C15_5  C16_5 H16_5  118.6     . . ?
C16_5  C17_5 C18_5  117.9(10) . . ?
C16_5  C17_5 C36_5  121.4(10) . . ?
C18_5  C17_5 C36_5  120.6(10) . . ?
O28_5  C18_5 C17_5  121.4(11) . . ?
O28_5  C18_5 C19_5  120.5(12) . . ?
C17_5  C18_5 C19_5  118.0(11) . . ?
C14_5  C19_5 C18_5  120.6(12) . . ?
C14_5  C19_5 P20_5  121.0(10) . . ?
C18_5  C19_5 P20_5  118.3(10) . . ?
O29_5  P20_5 C11_5  121.8(6)  . . ?
O29_5  P20_5 C19_5  121.0(6)  . . ?
C11_5  P20_5 C19_5  96.5(6)   . . ?
O29_5  P20_5 C21_5  119.0(6)  . . ?
C11_5  P20_5 C21_5  95.9(6)   . . ?
C19_5  P20_5 C21_5  96.8(6)   . . ?
C26_5  C21_5 C22_5  123.0(12) . . ?
C26_5  C21_5 P20_5  119.7(10) . . ?
C22_5  C21_5 P20_5  117.3(10) . . ?
C23_5  C22_5 O28_5  119.1(11) . . ?
C23_5  C22_5 C21_5  119.3(12) . . ?
O28_5  C22_5 C21_5  121.3(11) . . ?
C22_5  C23_5 C24_5  118.3(12) . . ?
C22_5  C23_5 H23_5  120.8     . . ?
C24_5  C23_5 H23_5  120.8     . . ?
C25_5  C24_5 C23_5  121.6(12) . . ?
C25_5  C24_5 H24_5  119.2     . . ?
C23_5  C24_5 H24_5  119.2     . . ?
C26_5  C25_5 C24_5  119.6(10) . . ?
C26_5  C25_5 C30_5  120.9(11) . . ?
C24_5  C25_5 C30_5  119.5(10) . . ?
C21_5  C26_5 C25_5  118.0(12) . . ?
C21_5  C26_5 O27_5  119.6(12) . . ?
C25_5  C26_5 O27_5  122.2(12) . . ?
C10_5  O27_5 C26_5  119.4(11) . . ?
C18_5  O28_5 C22_5  118.3(10) . . ?
C31_5  C30_5 C35_5  117.6(8)  . . ?
C31_5  C30_5 C25_5  120.6(9)  . . ?
C35_5  C30_5 C25_5  121.5(9)  . . ?
C30_5  C31_5 C32_5  119.8(10) . . ?
C30_5  C31_5 H31_5  120.1     . . ?
C32_5  C31_5 H31_5  120.1     . . ?
C33_5  C32_5 C31_5  118.1(11) . . ?
C33_5  C32_5 H32_5  120.9     . . ?
C31_5  C32_5 H32_5  120.9     . . ?
N34_5  C33_5 C32_5  123.0(11) . . ?
N34_5  C33_5 H33_5  118.5     . . ?
C32_5  C33_5 H33_5  118.5     . . ?
C35_5  N34_5 C33_5  118.3(10) . . ?
C35_5  N34_5 Pd5_1  119.3(8)  . . ?
C33_5  N34_5 Pd5_1  122.4(9)  . . ?
N34_5  C35_5 C30_5  123.0(10) . . ?
N34_5  C35_5 H35_5  118.5     . . ?
C30_5  C35_5 H35_5  118.5     . . ?
C41_5  C36_5 C37_5  118.0(8)  . . ?
C41_5  C36_5 C17_5  120.2(9)  . . ?
C37_5  C36_5 C17_5  121.8(9)  . . ?
C38_5  C37_5 C36_5  119.1(10) . . ?
C38_5  C37_5 H37_5  120.4     . . ?
C36_5  C37_5 H37_5  120.4     . . ?
C37_5  C38_5 C39_5  118.1(10) . . ?
C37_5  C38_5 H38_5  121.0     . . ?
C39_5  C38_5 H38_5  121.0     . . ?
N40_5  C39_5 C38_5  123.5(10) . . ?
N40_5  C39_5 H39_5  118.3     . . ?
C38_5  C39_5 H39_5  118.3     . . ?
C39_5  N40_5 C41_5  117.4(10) . . ?
C39_5  N40_5 Pd4_1  121.7(8)  . . ?
C41_5  N40_5 Pd4_1  120.7(8)  . . ?
N40_5  C41_5 C36_5  123.5(9)  . . ?
N40_5  C41_5 H41_5  118.2     . . ?
C36_5  C41_5 H41_5  118.2     . . ?
C6_6   N1_6  C2_6   118.4(10) . . ?
C6_6   N1_6  Pd6_1  119.9(9)  . . ?
C2_6   N1_6  Pd6_1  121.6(9)  . . ?
N1_6   C2_6  C3_6   120.9(11) . . ?
N1_6   C2_6  H2_6   119.6     . . ?
C3_6   C2_6  H2_6   119.6     . . ?
C2_6   C3_6  C4_6   120.6(11) . . ?
C2_6   C3_6  H3_6   119.7     . . ?
C4_6   C3_6  H3_6   119.7     . . ?
C5_6   C4_6  C3_6   118.5(10) . . ?
C5_6   C4_6  H4_6   120.7     . . ?
C3_6   C4_6  H4_6   120.7     . . ?
C4_6   C5_6  C6_6   117.1(8)  . . ?
C4_6   C5_6  C7_6   121.4(10) . . ?
C6_6   C5_6  C7_6   121.5(10) . . ?
N1_6   C6_6  C5_6   124.4(10) . . ?
N1_6   C6_6  H6_6   117.8     . . ?
C5_6   C6_6  H6_6   117.8     . . ?
C12_6  C7_6  C8_6   117.0(10) . . ?
C12_6  C7_6  C5_6   122.9(11) . . ?
C8_6   C7_6  C5_6   119.9(10) . . ?
C7_6   C8_6  C9_6   121.2(12) . . ?
C7_6   C8_6  H8_6   119.4     . . ?
C9_6   C8_6  H8_6   119.4     . . ?
C10_6  C9_6  C8_6   119.3(12) . . ?
C10_6  C9_6  H9_6   120.3     . . ?
C8_6   C9_6  H9_6   120.3     . . ?
C9_6   C10_6 C11_6  121.1(12) . . ?
C9_6   C10_6 O27_6  119.3(12) . . ?
C11_6  C10_6 O27_6  119.4(11) . . ?
C10_6  C11_6 C12_6  118.5(12) . . ?
C10_6  C11_6 P20_6  121.4(10) . . ?
C12_6  C11_6 P20_6  119.8(10) . . ?
C7_6   C12_6 C11_6  122.1(12) . . ?
C7_6   C12_6 O13_6  118.6(12) . . ?
C11_6  C12_6 O13_6  119.3(12) . . ?
C14_6  O13_6 C12_6  116.5(10) . . ?
C15_6  C14_6 O13_6  120.3(11) . . ?
C15_6  C14_6 C19_6  118.7(11) . . ?
O13_6  C14_6 C19_6  120.9(11) . . ?
C14_6  C15_6 C16_6  118.7(12) . . ?
C14_6  C15_6 H15_6  120.6     . . ?
C16_6  C15_6 H15_6  120.6     . . ?
C17_6  C16_6 C15_6  124.8(11) . . ?
C17_6  C16_6 H16_6  117.6     . . ?
C15_6  C16_6 H16_6  117.6     . . ?
C16_6  C17_6 C18_6  116.2(9)  . . ?
C16_6  C17_6 C36_6  122.2(10) . . ?
C18_6  C17_6 C36_6  121.6(10) . . ?
O28_6  C18_6 C17_6  121.3(11) . . ?
O28_6  C18_6 C19_6  119.5(11) . . ?
C17_6  C18_6 C19_6  119.1(11) . . ?
C14_6  C19_6 C18_6  121.6(11) . . ?
C14_6  C19_6 P20_6  119.7(10) . . ?
C18_6  C19_6 P20_6  118.5(9)  . . ?
O29_6  P20_6 C11_6  121.5(6)  . . ?
O29_6  P20_6 C19_6  121.9(6)  . . ?
C11_6  P20_6 C19_6  96.1(6)   . . ?
O29_6  P20_6 C21_6  120.1(6)  . . ?
C11_6  P20_6 C21_6  94.5(6)   . . ?
C19_6  P20_6 C21_6  96.1(6)   . . ?
C22_6  C21_6 C26_6  121.2(12) . . ?
C22_6  C21_6 P20_6  119.1(10) . . ?
C26_6  C21_6 P20_6  119.7(10) . . ?
C23_6  C22_6 O28_6  120.0(12) . . ?
C23_6  C22_6 C21_6  120.7(12) . . ?
O28_6  C22_6 C21_6  119.3(11) . . ?
C22_6  C23_6 C24_6  116.7(12) . . ?
C22_6  C23_6 H23_6  121.7     . . ?
C24_6  C23_6 H23_6  121.7     . . ?
C25_6  C24_6 C23_6  123.7(12) . . ?
C25_6  C24_6 H24_6  118.2     . . ?
C23_6  C24_6 H24_6  118.2     . . ?
C24_6  C25_6 C26_6  118.6(10) . . ?
C24_6  C25_6 C30_6  120.7(10) . . ?
C26_6  C25_6 C30_6  120.7(10) . . ?
O27_6  C26_6 C25_6  121.6(12) . . ?
O27_6  C26_6 C21_6  119.6(12) . . ?
C25_6  C26_6 C21_6  118.6(11) . . ?
C26_6  O27_6 C10_6  117.6(10) . . ?
C18_6  O28_6 C22_6  118.2(10) . . ?
C35_6  C30_6 C31_6  117.6(8)  . . ?
C35_6  C30_6 C25_6  121.0(10) . . ?
C31_6  C30_6 C25_6  121.4(9)  . . ?
C32_6  C31_6 C30_6  118.4(10) . . ?
C32_6  C31_6 H31_6  120.8     . . ?
C30_6  C31_6 H31_6  120.8     . . ?
C33_6  C32_6 C31_6  119.9(11) . . ?
C33_6  C32_6 H32_6  120.0     . . ?
C31_6  C32_6 H32_6  120.0     . . ?
N34_6  C33_6 C32_6  122.2(11) . . ?
N34_6  C33_6 H33_6  118.9     . . ?
C32_6  C33_6 H33_6  118.9     . . ?
C33_6  N34_6 C35_6  118.2(10) . . ?
C33_6  N34_6 Pd5_1  122.6(9)  . . ?
C35_6  N34_6 Pd5_1  119.1(9)  . . ?
N34_6  C35_6 C30_6  123.5(9)  . . ?
N34_6  C35_6 H35_6  118.3     . . ?
C30_6  C35_6 H35_6  118.3     . . ?
C41_6  C36_6 C37_6  116.9(8)  . . ?
C41_6  C36_6 C17_6  120.0(9)  . . ?
C37_6  C36_6 C17_6  123.0(9)  . . ?
C38_6  C37_6 C36_6  119.4(10) . . ?
C38_6  C37_6 H37_6  120.3     . . ?
C36_6  C37_6 H37_6  120.3     . . ?
C37_6  C38_6 C39_6  119.4(10) . . ?
C37_6  C38_6 H38_6  120.3     . . ?
C39_6  C38_6 H38_6  120.3     . . ?
N40_6  C39_6 C38_6  121.8(10) . . ?
N40_6  C39_6 H39_6  119.1     . . ?
C38_6  C39_6 H39_6  119.1     . . ?
C41_6  N40_6 C39_6  118.7(9)  . . ?
C41_6  N40_6 Pd2_1  120.2(8)  . . ?
C39_6  N40_6 Pd2_1  121.0(8)  . . ?
N40_6  C41_6 C36_6  123.6(9)  . . ?
N40_6  C41_6 H41_6  118.2     . . ?
C36_6  C41_6 H41_6  118.2     . . ?
C2_7   N1_7  C6_7   117.9(10) . . ?
C2_7   N1_7  Pd6_1  120.1(8)  . . ?
C6_7   N1_7  Pd6_1  122.0(8)  . . ?
N1_7   C2_7  C3_7   121.6(10) . . ?
N1_7   C2_7  H2_7   119.2     . . ?
C3_7   C2_7  H2_7   119.2     . . ?
C2_7   C3_7  C4_7   119.0(11) . . ?
C2_7   C3_7  H3_7   120.5     . . ?
C4_7   C3_7  H3_7   120.5     . . ?
C5_7   C4_7  C3_7   118.3(10) . . ?
C5_7   C4_7  H4_7   120.8     . . ?
C3_7   C4_7  H4_7   120.8     . . ?
C6_7   C5_7  C4_7   117.3(8)  . . ?
C6_7   C5_7  C7_7   120.8(9)  . . ?
C4_7   C5_7  C7_7   121.9(9)  . . ?
N1_7   C6_7  C5_7   124.1(9)  . . ?
N1_7   C6_7  H6_7   117.9     . . ?
C5_7   C6_7  H6_7   117.9     . . ?
C8_7   C7_7  C12_7  119.6(10) . . ?
C8_7   C7_7  C5_7   121.9(10) . . ?
C12_7  C7_7  C5_7   118.5(10) . . ?
C7_7   C8_7  C9_7   124.3(12) . . ?
C7_7   C8_7  H8_7   117.9     . . ?
C9_7   C8_7  H8_7   117.9     . . ?
C10_7  C9_7  C8_7   116.6(12) . . ?
C10_7  C9_7  H9_7   121.7     . . ?
C8_7   C9_7  H9_7   121.7     . . ?
C9_7   C10_7 O27_7  119.3(12) . . ?
C9_7   C10_7 C11_7  122.1(11) . . ?
O27_7  C10_7 C11_7  118.5(11) . . ?
C10_7  C11_7 C12_7  120.2(11) . . ?
C10_7  C11_7 P20_7  121.0(9)  . . ?
C12_7  C11_7 P20_7  118.8(10) . . ?
O13_7  C12_7 C7_7   123.5(11) . . ?
O13_7  C12_7 C11_7  119.5(11) . . ?
C7_7   C12_7 C11_7  116.8(11) . . ?
C12_7  O13_7 C14_7  119.3(10) . . ?
C15_7  C14_7 C19_7  120.3(12) . . ?
C15_7  C14_7 O13_7  119.2(12) . . ?
C19_7  C14_7 O13_7  120.4(11) . . ?
C14_7  C15_7 C16_7  118.2(13) . . ?
C14_7  C15_7 H15_7  120.9     . . ?
C16_7  C15_7 H15_7  120.9     . . ?
C17_7  C16_7 C15_7  124.2(12) . . ?
C17_7  C16_7 H16_7  117.9     . . ?
C15_7  C16_7 H16_7  117.9     . . ?
C16_7  C17_7 C18_7  116.0(10) . . ?
C16_7  C17_7 C36_7  122.3(10) . . ?
C18_7  C17_7 C36_7  121.7(10) . . ?
O28_7  C18_7 C19_7  120.2(11) . . ?
O28_7  C18_7 C17_7  120.5(12) . . ?
C19_7  C18_7 C17_7  119.2(11) . . ?
C14_7  C19_7 C18_7  121.2(11) . . ?
C14_7  C19_7 P20_7  120.1(10) . . ?
C18_7  C19_7 P20_7  118.3(10) . . ?
O29_7  P20_7 C11_7  120.1(6)  . . ?
O29_7  P20_7 C21_7  120.3(6)  . . ?
C11_7  P20_7 C21_7  95.5(7)   . . ?
O29_7  P20_7 C19_7  120.0(6)  . . ?
C11_7  P20_7 C19_7  97.3(6)   . . ?
C21_7  P20_7 C19_7  98.1(6)   . . ?
C22_7  C21_7 C26_7  121.4(12) . . ?
C22_7  C21_7 P20_7  117.5(10) . . ?
C26_7  C21_7 P20_7  121.0(11) . . ?
C23_7  C22_7 C21_7  120.6(11) . . ?
C23_7  C22_7 O28_7  117.2(12) . . ?
C21_7  C22_7 O28_7  122.1(11) . . ?
C22_7  C23_7 C24_7  117.7(12) . . ?
C22_7  C23_7 H23_7  121.2     . . ?
C24_7  C23_7 H23_7  121.2     . . ?
C25_7  C24_7 C23_7  121.7(11) . . ?
C25_7  C24_7 H24_7  119.2     . . ?
C23_7  C24_7 H24_7  119.2     . . ?
C26_7  C25_7 C24_7  119.5(10) . . ?
C26_7  C25_7 C30_7  121.0(11) . . ?
C24_7  C25_7 C30_7  119.5(10) . . ?
C25_7  C26_7 O27_7  122.9(12) . . ?
C25_7  C26_7 C21_7  118.5(12) . . ?
O27_7  C26_7 C21_7  118.5(11) . . ?
C26_7  O27_7 C10_7  118.3(10) . . ?
C18_7  O28_7 C22_7  116.5(10) . . ?
C31_7  C30_7 C35_7  117.3(8)  . . ?
C31_7  C30_7 C25_7  121.7(9)  . . ?
C35_7  C30_7 C25_7  120.9(9)  . . ?
C30_7  C31_7 C32_7  120.6(10) . . ?
C30_7  C31_7 H31_7  119.7     . . ?
C32_7  C31_7 H31_7  119.7     . . ?
C33_7  C32_7 C31_7  117.4(10) . . ?
C33_7  C32_7 H32_7  121.3     . . ?
C31_7  C32_7 H32_7  121.3     . . ?
N34_7  C33_7 C32_7  123.3(11) . . ?
N34_7  C33_7 H33_7  118.4     . . ?
C32_7  C33_7 H33_7  118.4     . . ?
C33_7  N34_7 C35_7  118.9(9)  . . ?
C33_7  N34_7 Pd2_1  122.2(8)  . . ?
C35_7  N34_7 Pd2_1  118.7(7)  . . ?
N34_7  C35_7 C30_7  122.5(9)  . . ?
N34_7  C35_7 H35_7  118.8     . . ?
C30_7  C35_7 H35_7  118.8     . . ?
C41_7  C36_7 C37_7  118.6(9)  . . ?
C41_7  C36_7 C17_7  119.7(10) . . ?
C37_7  C36_7 C17_7  121.6(10) . . ?
C36_7  C37_7 C38_7  118.7(10) . . ?
C36_7  C37_7 H37_7  120.6     . . ?
C38_7  C37_7 H37_7  120.6     . . ?
C39_7  C38_7 C37_7  118.4(11) . . ?
C39_7  C38_7 H38_7  120.8     . . ?
C37_7  C38_7 H38_7  120.8     . . ?
N40_7  C39_7 C38_7  122.4(11) . . ?
N40_7  C39_7 H39_7  118.8     . . ?
C38_7  C39_7 H39_7  118.8     . . ?
C39_7  N40_7 C41_7  119.8(11) . . ?
C39_7  N40_7 Pd3_1  120.2(9)  . . ?
C41_7  N40_7 Pd3_1  120.0(9)  . . ?
N40_7  C41_7 C36_7  122.0(10) . . ?
N40_7  C41_7 H41_7  119.0     . . ?
C36_7  C41_7 H41_7  119.0     . . ?
C2_8   N1_8  C6_8   117.4(10) . . ?
C2_8   N1_8  Pd6_1  123.9(8)  . . ?
C6_8   N1_8  Pd6_1  118.6(8)  . . ?
N1_8   C2_8  C3_8   123.6(10) . . ?
N1_8   C2_8  H2_8   118.2     . . ?
C3_8   C2_8  H2_8   118.2     . . ?
C2_8   C3_8  C4_8   117.6(10) . . ?
C2_8   C3_8  H3_8   121.2     . . ?
C4_8   C3_8  H3_8   121.2     . . ?
C5_8   C4_8  C3_8   119.3(10) . . ?
C5_8   C4_8  H4_8   120.3     . . ?
C3_8   C4_8  H4_8   120.3     . . ?
C4_8   C5_8  C6_8   117.2(8)  . . ?
C4_8   C5_8  C7_8   122.0(9)  . . ?
C6_8   C5_8  C7_8   120.8(9)  . . ?
N1_8   C6_8  C5_8   124.4(9)  . . ?
N1_8   C6_8  H6_8   117.8     . . ?
C5_8   C6_8  H6_8   117.8     . . ?
C8_8   C7_8  C12_8  117.4(10) . . ?
C8_8   C7_8  C5_8   122.9(11) . . ?
C12_8  C7_8  C5_8   119.7(11) . . ?
C7_8   C8_8  C9_8   123.8(12) . . ?
C7_8   C8_8  H8_8   118.1     . . ?
C9_8   C8_8  H8_8   118.1     . . ?
C10_8  C9_8  C8_8   117.3(12) . . ?
C10_8  C9_8  H9_8   121.4     . . ?
C8_8   C9_8  H9_8   121.4     . . ?
O27_8  C10_8 C9_8   119.7(12) . . ?
O27_8  C10_8 C11_8  119.0(11) . . ?
C9_8   C10_8 C11_8  121.2(12) . . ?
C12_8  C11_8 C10_8  120.6(12) . . ?
C12_8  C11_8 P20_8  120.5(11) . . ?
C10_8  C11_8 P20_8  118.8(10) . . ?
C11_8  C12_8 O13_8  120.4(12) . . ?
C11_8  C12_8 C7_8   119.4(12) . . ?
O13_8  C12_8 C7_8   120.0(12) . . ?
C12_8  O13_8 C14_8  117.2(11) . . ?
C15_8  C14_8 O13_8  119.0(13) . . ?
C15_8  C14_8 C19_8  123.4(13) . . ?
O13_8  C14_8 C19_8  117.6(13) . . ?
C14_8  C15_8 C16_8  116.9(13) . . ?
C14_8  C15_8 H15_8  121.5     . . ?
C16_8  C15_8 H15_8  121.5     . . ?
C17_8  C16_8 C15_8  122.0(13) . . ?
C17_8  C16_8 H16_8  119.0     . . ?
C15_8  C16_8 H16_8  119.0     . . ?
C16_8  C17_8 C18_8  120.0(11) . . ?
C16_8  C17_8 C36_8  120.0(11) . . ?
C18_8  C17_8 C36_8  120.0(11) . . ?
O28_8  C18_8 C19_8  121.4(14) . . ?
O28_8  C18_8 C17_8  121.2(13) . . ?
C19_8  C18_8 C17_8  117.3(12) . . ?
C14_8  C19_8 C18_8  120.0(13) . . ?
C14_8  C19_8 P20_8  123.1(11) . . ?
C18_8  C19_8 P20_8  116.8(11) . . ?
O29_8  P20_8 C21_8  122.1(7)  . . ?
O29_8  P20_8 C19_8  120.1(7)  . . ?
C21_8  P20_8 C19_8  96.3(7)   . . ?
O29_8  P20_8 C11_8  121.1(7)  . . ?
C21_8  P20_8 C11_8  97.2(7)   . . ?
C19_8  P20_8 C11_8  93.4(7)   . . ?
C22_8  C21_8 C26_8  119.3(12) . . ?
C22_8  C21_8 P20_8  122.8(11) . . ?
C26_8  C21_8 P20_8  117.7(11) . . ?
C23_8  C22_8 C21_8  123.8(12) . . ?
C23_8  C22_8 O28_8  118.9(13) . . ?
C21_8  C22_8 O28_8  117.3(12) . . ?
C22_8  C23_8 C24_8  116.3(12) . . ?
C22_8  C23_8 H23_8  121.9     . . ?
C24_8  C23_8 H23_8  121.9     . . ?
C25_8  C24_8 C23_8  122.4(12) . . ?
C25_8  C24_8 H24_8  118.8     . . ?
C23_8  C24_8 H24_8  118.8     . . ?
C24_8  C25_8 C26_8  118.6(10) . . ?
C24_8  C25_8 C30_8  119.2(10) . . ?
C26_8  C25_8 C30_8  122.2(11) . . ?
O27_8  C26_8 C21_8  120.5(12) . . ?
O27_8  C26_8 C25_8  120.8(12) . . ?
C21_8  C26_8 C25_8  118.6(11) . . ?
C26_8  O27_8 C10_8  120.5(11) . . ?
C18_8  O28_8 C22_8  116.5(11) . . ?
C35_8  C30_8 C31_8  118.4(9)  . . ?
C35_8  C30_8 C25_8  121.8(10) . . ?
C31_8  C30_8 C25_8  119.6(10) . . ?
C30_8  C31_8 C32_8  118.3(10) . . ?
C30_8  C31_8 H31_8  120.9     . . ?
C32_8  C31_8 H31_8  120.9     . . ?
C33_8  C32_8 C31_8  118.9(11) . . ?
C33_8  C32_8 H32_8  120.5     . . ?
C31_8  C32_8 H32_8  120.5     . . ?
N34_8  C33_8 C32_8  122.8(11) . . ?
N34_8  C33_8 H33_8  118.6     . . ?
C32_8  C33_8 H33_8  118.6     . . ?
C35_8  N34_8 C33_8  118.3(10) . . ?
C35_8  N34_8 Pd4_1  119.5(8)  . . ?
C33_8  N34_8 Pd4_1  122.2(9)  . . ?
N34_8  C35_8 C30_8  123.2(10) . . ?
N34_8  C35_8 H35_8  118.4     . . ?
C30_8  C35_8 H35_8  118.4     . . ?
C37_8  C36_8 C41_8  117.7(8)  . . ?
C37_8  C36_8 C17_8  122.2(10) . . ?
C41_8  C36_8 C17_8  120.0(10) . . ?
C36_8  C37_8 C38_8  118.9(10) . . ?
C36_8  C37_8 H37_8  120.5     . . ?
C38_8  C37_8 H37_8  120.5     . . ?
C37_8  C38_8 C39_8  119.4(11) . . ?
C37_8  C38_8 H38_8  120.3     . . ?
C39_8  C38_8 H38_8  120.3     . . ?
N40_8  C39_8 C38_8  121.8(11) . . ?
N40_8  C39_8 H39_8  119.1     . . ?
C38_8  C39_8 H39_8  119.1     . . ?
C41_8  N40_8 C39_8  118.3(10) . . ?
C41_8  N40_8 Pd5_1  120.0(8)  . . ?
C39_8  N40_8 Pd5_1  121.6(9)  . . ?
N40_8  C41_8 C36_8  123.4(10) . . ?
N40_8  C41_8 H41_8  118.3     . . ?
C36_8  C41_8 H41_8  118.3     . . ?
C6_9   N1_9  C2_9   118.1(10) . . ?
C6_9   N1_9  Pd3_1  119.4(8)  . . ?
C2_9   N1_9  Pd3_1  122.5(9)  . . ?
N1_9   C2_9  C3_9   123.0(11) . . ?
N1_9   C2_9  H2_9   118.5     . . ?
C3_9   C2_9  H2_9   118.5     . . ?
C2_9   C3_9  C4_9   118.2(11) . . ?
C2_9   C3_9  H3_9   120.9     . . ?
C4_9   C3_9  H3_9   120.9     . . ?
C3_9   C4_9  C5_9   119.7(10) . . ?
C3_9   C4_9  H4_9   120.1     . . ?
C5_9   C4_9  H4_9   120.1     . . ?
C6_9   C5_9  C4_9   117.2(8)  . . ?
C6_9   C5_9  C7_9   122.0(10) . . ?
C4_9   C5_9  C7_9   120.8(9)  . . ?
N1_9   C6_9  C5_9   123.7(10) . . ?
N1_9   C6_9  H6_9   118.2     . . ?
C5_9   C6_9  H6_9   118.2     . . ?
C8_9   C7_9  C12_9  116.6(11) . . ?
C8_9   C7_9  C5_9   122.1(12) . . ?
C12_9  C7_9  C5_9   121.3(12) . . ?
C7_9   C8_9  C9_9   124.1(13) . . ?
C7_9   C8_9  H8_9   117.9     . . ?
C9_9   C8_9  H8_9   117.9     . . ?
C10_9  C9_9  C8_9   117.6(12) . . ?
C10_9  C9_9  H9_9   121.2     . . ?
C8_9   C9_9  H9_9   121.2     . . ?
C9_9   C10_9 O27_9  119.3(13) . . ?
C9_9   C10_9 C11_9  120.3(12) . . ?
O27_9  C10_9 C11_9  120.4(12) . . ?
C12_9  C11_9 C10_9  121.5(13) . . ?
C12_9  C11_9 P20_9  118.7(11) . . ?
C10_9  C11_9 P20_9  119.5(11) . . ?
C11_9  C12_9 O13_9  121.1(13) . . ?
C11_9  C12_9 C7_9   119.3(12) . . ?
O13_9  C12_9 C7_9   119.6(13) . . ?
C14_9  O13_9 C12_9  116.3(10) . . ?
C15_9  C14_9 O13_9  119.1(12) . . ?
C15_9  C14_9 C19_9  122.3(12) . . ?
O13_9  C14_9 C19_9  118.5(11) . . ?
C14_9  C15_9 C16_9  116.7(12) . . ?
C14_9  C15_9 H15_9  121.6     . . ?
C16_9  C15_9 H15_9  121.6     . . ?
C17_9  C16_9 C15_9  125.1(12) . . ?
C17_9  C16_9 H16_9  117.5     . . ?
C15_9  C16_9 H16_9  117.5     . . ?
C16_9  C17_9 C18_9  117.5(10) . . ?
C16_9  C17_9 C36_9  122.0(11) . . ?
C18_9  C17_9 C36_9  120.5(11) . . ?
O28_9  C18_9 C17_9  122.3(12) . . ?
O28_9  C18_9 C19_9  118.6(11) . . ?
C17_9  C18_9 C19_9  119.1(11) . . ?
C14_9  C19_9 C18_9  118.6(11) . . ?
C14_9  C19_9 P20_9  121.9(10) . . ?
C18_9  C19_9 P20_9  119.2(10) . . ?
O29_9  P20_9 C19_9  119.3(6)  . . ?
O29_9  P20_9 C11_9  121.2(6)  . . ?
C19_9  P20_9 C11_9  96.4(7)   . . ?
O29_9  P20_9 C21_9  119.4(6)  . . ?
C19_9  P20_9 C21_9  97.9(7)   . . ?
C11_9  P20_9 C21_9  97.4(7)   . . ?
C22_9  C21_9 C26_9  121.0(12) . . ?
C22_9  C21_9 P20_9  119.8(10) . . ?
C26_9  C21_9 P20_9  118.9(10) . . ?
C23_9  C22_9 O28_9  118.2(12) . . ?
C23_9  C22_9 C21_9  122.2(12) . . ?
O28_9  C22_9 C21_9  119.3(11) . . ?
C22_9  C23_9 C24_9  115.4(12) . . ?
C22_9  C23_9 H23_9  122.3     . . ?
C24_9  C23_9 H23_9  122.3     . . ?
C25_9  C24_9 C23_9  125.1(12) . . ?
C25_9  C24_9 H24_9  117.5     . . ?
C23_9  C24_9 H24_9  117.5     . . ?
C24_9  C25_9 C26_9  117.7(10) . . ?
C24_9  C25_9 C30_9  122.7(11) . . ?
C26_9  C25_9 C30_9  119.5(11) . . ?
O27_9  C26_9 C21_9  120.3(11) . . ?
O27_9  C26_9 C25_9  121.6(12) . . ?
C21_9  C26_9 C25_9  118.0(12) . . ?
C10_9  O27_9 C26_9  117.5(11) . . ?
C18_9  O28_9 C22_9  119.1(11) . . ?
C35_9  C30_9 C31_9  117.5(8)  . . ?
C35_9  C30_9 C25_9  121.7(9)  . . ?
C31_9  C30_9 C25_9  120.8(9)  . . ?
C32_9  C31_9 C30_9  119.8(10) . . ?
C32_9  C31_9 H31_9  120.1     . . ?
C30_9  C31_9 H31_9  120.1     . . ?
C33_9  C32_9 C31_9  118.3(10) . . ?
C33_9  C32_9 H32_9  120.9     . . ?
C31_9  C32_9 H32_9  120.9     . . ?
N34_9  C33_9 C32_9  122.6(10) . . ?
N34_9  C33_9 H33_9  118.7     . . ?
C32_9  C33_9 H33_9  118.7     . . ?
C35_9  N34_9 C33_9  118.1(10) . . ?
C35_9  N34_9 Pd4_1  121.1(7)  . . ?
C33_9  N34_9 Pd4_1  120.5(8)  . . ?
N34_9  C35_9 C30_9  123.6(9)  . . ?
N34_9  C35_9 H35_9  118.2     . . ?
C30_9  C35_9 H35_9  118.2     . . ?
C37_9  C36_9 C41_9  118.6(8)  . . ?
C37_9  C36_9 C17_9  122.3(10) . . ?
C41_9  C36_9 C17_9  119.2(9)  . . ?
C38_9  C37_9 C36_9  119.4(10) . . ?
C38_9  C37_9 H37_9  120.3     . . ?
C36_9  C37_9 H37_9  120.3     . . ?
C37_9  C38_9 C39_9  118.5(11) . . ?
C37_9  C38_9 H38_9  120.8     . . ?
C39_9  C38_9 H38_9  120.8     . . ?
N40_9  C39_9 C38_9  122.7(11) . . ?
N40_9  C39_9 H39_9  118.6     . . ?
C38_9  C39_9 H39_9  118.6     . . ?
C41_9  N40_9 C39_9  118.7(10) . . ?
C41_9  N40_9 Pd6_1  118.8(8)  . . ?
C39_9  N40_9 Pd6_1  122.5(9)  . . ?
N40_9  C41_9 C36_9  121.9(9)  . . ?
N40_9  C41_9 H41_9  119.0     . . ?
C36_9  C41_9 H41_9  119.0     . . ?
F4_10  B1_10 F3_10  112.2(16) . . ?
F4_10  B1_10 F2_10  108.9(19) . . ?
F3_10  B1_10 F2_10  106.5(18) . . ?
F4_10  B1_10 F5_10  109.1(17) . . ?
F3_10  B1_10 F5_10  111.9(18) . . ?
F2_10  B1_10 F5_10  108.2(18) . . ?
F4_11  B1_11 F5_11  112(2)    . . ?
F4_11  B1_11 F2_11  113.0(17) . . ?
F5_11  B1_11 F2_11  107.9(19) . . ?
F4_11  B1_11 F3_11  109.2(18) . . ?
F5_11  B1_11 F3_11  103.4(19) . . ?
F2_11  B1_11 F3_11  111.0(19) . . ?
F4_12  B1_12 F3_12  108(2)    . . ?
F4_12  B1_12 F5_12  108(2)    . . ?
F3_12  B1_12 F5_12  111(2)    . . ?
F4_12  B1_12 F2_12  111(2)    . . ?
F3_12  B1_12 F2_12  101(2)    . . ?
F5_12  B1_12 F2_12  118(2)    . . ?
F4_13  B1_13 F2_13  105.4(18) . . ?
F4_13  B1_13 F5_13  115.6(19) . . ?
F2_13  B1_13 F5_13  113(2)    . . ?
F4_13  B1_13 F3_13  108(2)    . . ?
F2_13  B1_13 F3_13  105(2)    . . ?
F5_13  B1_13 F3_13  108(2)    . . ?
F2_14  B1_14 F3_14  104.2(13) . . ?
F2_14  B1_14 F5_14  113.6(14) . . ?
F3_14  B1_14 F5_14  103.2(13) . . ?
F2_14  B1_14 F4_14  113.0(11) . . ?
F3_14  B1_14 F4_14  102.8(11) . . ?
F5_14  B1_14 F4_14  117.8(12) . . ?
O1_15  S2_15 C4_15  109.1(12) . . ?
O1_15  S2_15 C3_15  106.6(12) . . ?
C4_15  S2_15 C3_15  108.8(14) . . ?
S2_15  C3_15 H3A_15 109.5     . . ?
S2_15  C3_15 H3B_15 109.5     . . ?
H3A_15 C3_15 H3B_15 109.5     . . ?
S2_15  C3_15 H3C_15 109.5     . . ?
H3A_15 C3_15 H3C_15 109.5     . . ?
H3B_15 C3_15 H3C_15 109.5     . . ?
S2_15  C4_15 H4A_15 109.5     . . ?
S2_15  C4_15 H4B_15 109.5     . . ?
H4A_15 C4_15 H4B_15 109.5     . . ?
S2_15  C4_15 H4C_15 109.5     . . ?
H4A_15 C4_15 H4C_15 109.5     . . ?
H4B_15 C4_15 H4C_15 109.5     . . ?
O1_16  S2_16 C4_16  107.3(13) . . ?
O1_16  S2_16 C3_16  105.5(11) . . ?
C4_16  S2_16 C3_16  105.6(14) . . ?
S2_16  C3_16 H3A_16 109.5     . . ?
S2_16  C3_16 H3B_16 109.5     . . ?
H3A_16 C3_16 H3B_16 109.5     . . ?
S2_16  C3_16 H3C_16 109.5     . . ?
H3A_16 C3_16 H3C_16 109.5     . . ?
H3B_16 C3_16 H3C_16 109.5     . . ?
S2_16  C4_16 H4A_16 109.5     . . ?
S2_16  C4_16 H4B_16 109.5     . . ?
H4A_16 C4_16 H4B_16 109.5     . . ?
S2_16  C4_16 H4C_16 109.5     . . ?
H4A_16 C4_16 H4C_16 109.5     . . ?
H4B_16 C4_16 H4C_16 109.5     . . ?
O1_17  S2_17 C4_17  109.5(11) . . ?
O1_17  S2_17 C3_17  102.6(11) . . ?
C4_17  S2_17 C3_17  103.1(13) . . ?
S2_17  C3_17 H3A_17 109.5     . . ?
S2_17  C3_17 H3B_17 109.5     . . ?
H3A_17 C3_17 H3B_17 109.5     . . ?
S2_17  C3_17 H3C_17 109.5     . . ?
H3A_17 C3_17 H3C_17 109.5     . . ?
H3B_17 C3_17 H3C_17 109.5     . . ?
S2_17  C4_17 H4A_17 109.5     . . ?
S2_17  C4_17 H4B_17 109.5     . . ?
H4A_17 C4_17 H4B_17 109.5     . . ?
S2_17  C4_17 H4C_17 109.5     . . ?
H4A_17 C4_17 H4C_17 109.5     . . ?
H4B_17 C4_17 H4C_17 109.5     . . ?
O1_18  S2_18 C4_18  107.1(11) . . ?
O1_18  S2_18 C3_18  108.8(12) . . ?
C4_18  S2_18 C3_18  89.3(13)  . . ?
S2_18  C3_18 H3A_18 109.5     . . ?
S2_18  C3_18 H3B_18 109.5     . . ?
H3A_18 C3_18 H3B_18 109.5     . . ?
S2_18  C3_18 H3C_18 109.5     . . ?
H3A_18 C3_18 H3C_18 109.5     . . ?
H3B_18 C3_18 H3C_18 109.5     . . ?
S2_18  C4_18 H4A_18 109.5     . . ?
S2_18  C4_18 H4B_18 109.5     . . ?
H4A_18 C4_18 H4B_18 109.5     . . ?
S2_18  C4_18 H4C_18 109.5     . . ?
H4A_18 C4_18 H4C_18 109.5     . . ?
H4B_18 C4_18 H4C_18 109.5     . . ?
O1_19  S2_19 C3_19  130.5(19) . . ?
O1_19  S2_19 C4_19  94.9(18)  . . ?
C3_19  S2_19 C4_19  100(2)    . . ?
S2_19  C3_19 H3A_19 109.5     . . ?
S2_19  C3_19 H3B_19 109.5     . . ?
H3A_19 C3_19 H3B_19 109.5     . . ?
S2_19  C3_19 H3C_19 109.5     . . ?
H3A_19 C3_19 H3C_19 109.5     . . ?
H3B_19 C3_19 H3C_19 109.5     . . ?
S2_19  C4_19 H4A_19 109.5     . . ?
S2_19  C4_19 H4B_19 109.5     . . ?
H4A_19 C4_19 H4B_19 109.5     . . ?
S2_19  C4_19 H4C_19 109.5     . . ?
H4A_19 C4_19 H4C_19 109.5     . . ?
H4B_19 C4_19 H4C_19 109.5     . . ?
O1_20  S2_20 C4_20  103.7(12) . . ?
O1_20  S2_20 C3_20  108.2(12) . . ?
C4_20  S2_20 C3_20  103.5(13) . . ?
S2_20  C3_20 H3A_20 109.5     . . ?
S2_20  C3_20 H3B_20 109.5     . . ?
H3A_20 C3_20 H3B_20 109.5     . . ?
S2_20  C3_20 H3C_20 109.5     . . ?
H3A_20 C3_20 H3C_20 109.5     . . ?
H3B_20 C3_20 H3C_20 109.5     . . ?
S2_20  C4_20 H4A_20 109.5     . . ?
S2_20  C4_20 H4B_20 109.5     . . ?
H4A_20 C4_20 H4B_20 109.5     . . ?
S2_20  C4_20 H4C_20 109.5     . . ?
H4A_20 C4_20 H4C_20 109.5     . . ?
H4B_20 C4_20 H4C_20 109.5     . . ?
O1_21  S2_21 C4_21  135.3(17) . . ?
O1_21  S2_21 C3_21  116.1(16) . . ?
C4_21  S2_21 C3_21  108.7(18) . . ?
S2_21  C3_21 H3A_21 109.5     . . ?
S2_21  C3_21 H3B_21 109.5     . . ?
H3A_21 C3_21 H3B_21 109.5     . . ?
S2_21  C3_21 H3C_21 109.5     . . ?
H3A_21 C3_21 H3C_21 109.5     . . ?
H3B_21 C3_21 H3C_21 109.5     . . ?
S2_21  C4_21 H4A_21 109.5     . . ?
S2_21  C4_21 H4B_21 109.5     . . ?
H4A_21 C4_21 H4B_21 109.5     . . ?
S2_21  C4_21 H4C_21 109.5     . . ?
H4A_21 C4_21 H4C_21 109.5     . . ?
H4B_21 C4_21 H4C_21 109.5     . . ?
O1_22  S2_22 C3_22  105.8(15) . . ?
O1_22  S2_22 C4_22  100.9(16) . . ?
C3_22  S2_22 C4_22  103.2(17) . . ?
S2_22  C3_22 H3A_22 109.5     . . ?
S2_22  C3_22 H3B_22 109.5     . . ?
H3A_22 C3_22 H3B_22 109.5     . . ?
S2_22  C3_22 H3C_22 109.5     . . ?
H3A_22 C3_22 H3C_22 109.5     . . ?
H3B_22 C3_22 H3C_22 109.5     . . ?
S2_22  C4_22 H4A_22 109.5     . . ?
S2_22  C4_22 H4B_22 109.5     . . ?
H4A_22 C4_22 H4B_22 109.5     . . ?
S2_22  C4_22 H4C_22 109.5     . . ?
H4A_22 C4_22 H4C_22 109.5     . . ?
H4B_22 C4_22 H4C_22 109.5     . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6_2  N1_2  C2_2  C3_2  -2(2)      . . . . ?
Pd1_1 N1_2  C2_2  C3_2  177.8(12)  . . . . ?
N1_2  C2_2  C3_2  C4_2  3(2)       . . . . ?
C2_2  C3_2  C4_2  C5_2  -3(2)      . . . . ?
C3_2  C4_2  C5_2  C6_2  2.5(18)    . . . . ?
C3_2  C4_2  C5_2  C7_2  -177.8(13) . . . . ?
C2_2  N1_2  C6_2  C5_2  1.6(15)    . . . . ?
Pd1_1 N1_2  C6_2  C5_2  -178.5(9)  . . . . ?
C4_2  C5_2  C6_2  N1_2  -1.7(14)   . . . . ?
C7_2  C5_2  C6_2  N1_2  178.6(11)  . . . . ?
C6_2  C5_2  C7_2  C8_2  -135.8(12) . . . . ?
C4_2  C5_2  C7_2  C8_2  44.6(17)   . . . . ?
C6_2  C5_2  C7_2  C12_2 46.9(14)   . . . . ?
C4_2  C5_2  C7_2  C12_2 -132.7(13) . . . . ?
C12_2 C7_2  C8_2  C9_2  -7(2)      . . . . ?
C5_2  C7_2  C8_2  C9_2  175.6(14)  . . . . ?
C7_2  C8_2  C9_2  C10_2 2(2)       . . . . ?
C8_2  C9_2  C10_2 O27_2 174.6(14)  . . . . ?
C8_2  C9_2  C10_2 C11_2 -1(2)      . . . . ?
C9_2  C10_2 C11_2 C12_2 5.3(16)    . . . . ?
O27_2 C10_2 C11_2 C12_2 -170.4(11) . . . . ?
C9_2  C10_2 C11_2 P20_2 178.5(11)  . . . . ?
O27_2 C10_2 C11_2 P20_2 2.8(14)    . . . . ?
C10_2 C11_2 C12_2 C7_2  -10.5(15)  . . . . ?
P20_2 C11_2 C12_2 C7_2  176.4(10)  . . . . ?
C10_2 C11_2 C12_2 O13_2 166.8(11)  . . . . ?
P20_2 C11_2 C12_2 O13_2 -6.4(14)   . . . . ?
C8_2  C7_2  C12_2 C11_2 11.1(16)   . . . . ?
C5_2  C7_2  C12_2 C11_2 -171.5(11) . . . . ?
C8_2  C7_2  C12_2 O13_2 -166.1(13) . . . . ?
C5_2  C7_2  C12_2 O13_2 11.3(16)   . . . . ?
C11_2 C12_2 O13_2 C14_2 -41.2(15)  . . . . ?
C7_2  C12_2 O13_2 C14_2 136.0(12)  . . . . ?
C12_2 O13_2 C14_2 C15_2 -132.5(13) . . . . ?
C12_2 O13_2 C14_2 C19_2 42.4(14)   . . . . ?
O13_2 C14_2 C15_2 C16_2 177.1(14)  . . . . ?
C19_2 C14_2 C15_2 C16_2 2(2)       . . . . ?
C14_2 C15_2 C16_2 C17_2 -4(2)      . . . . ?
C15_2 C16_2 C17_2 C18_2 0(2)       . . . . ?
C15_2 C16_2 C17_2 C36_2 -178.4(15) . . . . ?
C16_2 C17_2 C18_2 O28_2 -169.4(13) . . . . ?
C36_2 C17_2 C18_2 O28_2 9.4(15)    . . . . ?
C16_2 C17_2 C18_2 C19_2 5.6(15)    . . . . ?
C36_2 C17_2 C18_2 C19_2 -175.6(10) . . . . ?
O28_2 C18_2 C19_2 C14_2 167.1(11)  . . . . ?
C17_2 C18_2 C19_2 C14_2 -7.8(14)   . . . . ?
O28_2 C18_2 C19_2 P20_2 -7.4(14)   . . . . ?
C17_2 C18_2 C19_2 P20_2 177.8(9)   . . . . ?
C15_2 C14_2 C19_2 C18_2 3.7(16)    . . . . ?
O13_2 C14_2 C19_2 C18_2 -171.3(11) . . . . ?
C15_2 C14_2 C19_2 P20_2 178.1(11)  . . . . ?
O13_2 C14_2 C19_2 P20_2 3.1(14)    . . . . ?
C18_2 C19_2 P20_2 O29_2 -91.9(10)  . . . . ?
C14_2 C19_2 P20_2 O29_2 93.5(10)   . . . . ?
C18_2 C19_2 P20_2 C21_2 38.5(9)    . . . . ?
C14_2 C19_2 P20_2 C21_2 -136.1(9)  . . . . ?
C18_2 C19_2 P20_2 C11_2 136.9(9)   . . . . ?
C14_2 C19_2 P20_2 C11_2 -37.7(10)  . . . . ?
C12_2 C11_2 P20_2 O29_2 -91.4(11)  . . . . ?
C10_2 C11_2 P20_2 O29_2 95.3(10)   . . . . ?
C12_2 C11_2 P20_2 C19_2 39.1(10)   . . . . ?
C10_2 C11_2 P20_2 C19_2 -134.2(9)  . . . . ?
C12_2 C11_2 P20_2 C21_2 136.1(10)  . . . . ?
C10_2 C11_2 P20_2 C21_2 -37.2(10)  . . . . ?
O29_2 P20_2 C21_2 C22_2 93.8(10)   . . . . ?
C19_2 P20_2 C21_2 C22_2 -36.4(10)  . . . . ?
C11_2 P20_2 C21_2 C22_2 -133.2(10) . . . . ?
O29_2 P20_2 C21_2 C26_2 -93.4(10)  . . . . ?
C19_2 P20_2 C21_2 C26_2 136.3(9)   . . . . ?
C11_2 P20_2 C21_2 C26_2 39.5(10)   . . . . ?
C26_2 C21_2 C22_2 C23_2 3.7(16)    . . . . ?
P20_2 C21_2 C22_2 C23_2 176.4(11)  . . . . ?
C26_2 C21_2 C22_2 O28_2 -172.4(11) . . . . ?
P20_2 C21_2 C22_2 O28_2 0.3(14)    . . . . ?
C21_2 C22_2 C23_2 C24_2 7(2)       . . . . ?
O28_2 C22_2 C23_2 C24_2 -176.7(13) . . . . ?
C22_2 C23_2 C24_2 C25_2 -12(2)     . . . . ?
C23_2 C24_2 C25_2 C26_2 4(2)       . . . . ?
C23_2 C24_2 C25_2 C30_2 -179.3(14) . . . . ?
C22_2 C21_2 C26_2 C25_2 -11.4(14)  . . . . ?
P20_2 C21_2 C26_2 C25_2 175.7(9)   . . . . ?
C22_2 C21_2 C26_2 O27_2 164.9(11)  . . . . ?
P20_2 C21_2 C26_2 O27_2 -8.1(14)   . . . . ?
C24_2 C25_2 C26_2 C21_2 7.3(16)    . . . . ?
C30_2 C25_2 C26_2 C21_2 -168.9(11) . . . . ?
C24_2 C25_2 C26_2 O27_2 -169.1(12) . . . . ?
C30_2 C25_2 C26_2 O27_2 14.7(15)   . . . . ?
C9_2  C10_2 O27_2 C26_2 -135.8(13) . . . . ?
C11_2 C10_2 O27_2 C26_2 39.8(15)   . . . . ?
C21_2 C26_2 O27_2 C10_2 -37.4(15)  . . . . ?
C25_2 C26_2 O27_2 C10_2 139.0(11)  . . . . ?
C23_2 C22_2 O28_2 C18_2 -134.0(13) . . . . ?
C21_2 C22_2 O28_2 C18_2 42.2(15)   . . . . ?
C17_2 C18_2 O28_2 C22_2 135.9(12)  . . . . ?
C19_2 C18_2 O28_2 C22_2 -38.8(15)  . . . . ?
C24_2 C25_2 C30_2 C31_2 47.8(17)   . . . . ?
C26_2 C25_2 C30_2 C31_2 -136.1(13) . . . . ?
C24_2 C25_2 C30_2 C35_2 -131.6(14) . . . . ?
C26_2 C25_2 C30_2 C35_2 44.5(16)   . . . . ?
C35_2 C30_2 C31_2 C32_2 3.3(17)    . . . . ?
C25_2 C30_2 C31_2 C32_2 -176.1(12) . . . . ?
C30_2 C31_2 C32_2 C33_2 -1.0(15)   . . . . ?
C31_2 C32_2 C33_2 N34_2 -1.4(16)   . . . . ?
C32_2 C33_2 N34_2 C35_2 1.3(19)    . . . . ?
C32_2 C33_2 N34_2 Pd2_1 178.5(10)  . . . . ?
C33_2 N34_2 C35_2 C30_2 1.3(19)    . . . . ?
Pd2_1 N34_2 C35_2 C30_2 -175.9(9)  . . . . ?
C31_2 C30_2 C35_2 N34_2 -3.6(18)   . . . . ?
C25_2 C30_2 C35_2 N34_2 175.9(12)  . . . . ?
C16_2 C17_2 C36_2 C41_2 -132.5(15) . . . . ?
C18_2 C17_2 C36_2 C41_2 48.7(16)   . . . . ?
C16_2 C17_2 C36_2 C37_2 45.8(17)   . . . . ?
C18_2 C17_2 C36_2 C37_2 -133.0(13) . . . . ?
C41_2 C36_2 C37_2 C38_2 2.9(18)    . . . . ?
C17_2 C36_2 C37_2 C38_2 -175.4(12) . . . . ?
C36_2 C37_2 C38_2 C39_2 -1.8(15)   . . . . ?
C37_2 C38_2 C39_2 N40_2 0.6(17)    . . . . ?
C38_2 C39_2 N40_2 C41_2 -1(2)      . . . . ?
C38_2 C39_2 N40_2 Pd5_1 179.4(11)  . . . . ?
C39_2 N40_2 C41_2 C36_2 2(2)       . . . . ?
Pd5_1 N40_2 C41_2 C36_2 -178.2(11) . . . . ?
C37_2 C36_2 C41_2 N40_2 -3(2)      . . . . ?
C17_2 C36_2 C41_2 N40_2 175.4(14)  . . . . ?
C6_3  N1_3  C2_3  C3_3  -4(2)      . . . . ?
Pd1_1 N1_3  C2_3  C3_3  174.3(13)  . . . . ?
N1_3  C2_3  C3_3  C4_3  8(3)       . . . . ?
C2_3  C3_3  C4_3  C5_3  -8(3)      . . . . ?
C3_3  C4_3  C5_3  C6_3  5(2)       . . . . ?
C3_3  C4_3  C5_3  C7_3  -172.2(14) . . . . ?
C2_3  N1_3  C6_3  C5_3  1.2(15)    . . . . ?
Pd1_1 N1_3  C6_3  C5_3  -177.3(9)  . . . . ?
C4_3  C5_3  C6_3  N1_3  -1.8(14)   . . . . ?
C7_3  C5_3  C6_3  N1_3  175.5(11)  . . . . ?
C6_3  C5_3  C7_3  C8_3  -129.9(13) . . . . ?
C4_3  C5_3  C7_3  C8_3  47.3(17)   . . . . ?
C6_3  C5_3  C7_3  C12_3 46.7(14)   . . . . ?
C4_3  C5_3  C7_3  C12_3 -136.1(13) . . . . ?
C12_3 C7_3  C8_3  C9_3  3(2)       . . . . ?
C5_3  C7_3  C8_3  C9_3  -180.0(14) . . . . ?
C7_3  C8_3  C9_3  C10_3 -7(2)      . . . . ?
C8_3  C9_3  C10_3 O27_3 -177.0(14) . . . . ?
C8_3  C9_3  C10_3 C11_3 2(2)       . . . . ?
C9_3  C10_3 C11_3 C12_3 5.2(17)    . . . . ?
O27_3 C10_3 C11_3 C12_3 -175.4(11) . . . . ?
C9_3  C10_3 C11_3 P20_3 179.8(12)  . . . . ?
O27_3 C10_3 C11_3 P20_3 -0.8(15)   . . . . ?
C10_3 C11_3 C12_3 O13_3 166.0(11)  . . . . ?
P20_3 C11_3 C12_3 O13_3 -8.7(14)   . . . . ?
C10_3 C11_3 C12_3 C7_3  -8.8(15)   . . . . ?
P20_3 C11_3 C12_3 C7_3  176.5(9)   . . . . ?
C8_3  C7_3  C12_3 O13_3 -170.0(12) . . . . ?
C5_3  C7_3  C12_3 O13_3 13.2(16)   . . . . ?
C8_3  C7_3  C12_3 C11_3 4.5(15)    . . . . ?
C5_3  C7_3  C12_3 C11_3 -172.3(10) . . . . ?
C11_3 C12_3 O13_3 C14_3 -39.2(15)  . . . . ?
C7_3  C12_3 O13_3 C14_3 135.4(12)  . . . . ?
C12_3 O13_3 C14_3 C15_3 -135.7(13) . . . . ?
C12_3 O13_3 C14_3 C19_3 43.1(15)   . . . . ?
O13_3 C14_3 C15_3 C16_3 176.7(13)  . . . . ?
C19_3 C14_3 C15_3 C16_3 -1.9(19)   . . . . ?
C14_3 C15_3 C16_3 C17_3 -1(2)      . . . . ?
C15_3 C16_3 C17_3 C18_3 -1.9(18)   . . . . ?
C15_3 C16_3 C17_3 C36_3 178.7(12)  . . . . ?
C16_3 C17_3 C18_3 C19_3 6.8(15)    . . . . ?
C36_3 C17_3 C18_3 C19_3 -173.7(11) . . . . ?
C16_3 C17_3 C18_3 O28_3 -168.3(12) . . . . ?
C36_3 C17_3 C18_3 O28_3 11.1(15)   . . . . ?
C17_3 C18_3 C19_3 C14_3 -9.1(15)   . . . . ?
O28_3 C18_3 C19_3 C14_3 166.0(11)  . . . . ?
C17_3 C18_3 C19_3 P20_3 176.7(10)  . . . . ?
O28_3 C18_3 C19_3 P20_3 -8.1(14)   . . . . ?
C15_3 C14_3 C19_3 C18_3 6.7(16)    . . . . ?
O13_3 C14_3 C19_3 C18_3 -172.1(11) . . . . ?
C15_3 C14_3 C19_3 P20_3 -179.2(11) . . . . ?
O13_3 C14_3 C19_3 P20_3 2.1(14)    . . . . ?
C18_3 C19_3 P20_3 O29_3 -90.4(11)  . . . . ?
C14_3 C19_3 P20_3 O29_3 95.6(11)   . . . . ?
C18_3 C19_3 P20_3 C21_3 39.8(11)   . . . . ?
C14_3 C19_3 P20_3 C21_3 -134.1(10) . . . . ?
C18_3 C19_3 P20_3 C11_3 136.7(10)  . . . . ?
C14_3 C19_3 P20_3 C11_3 -37.3(11)  . . . . ?
C10_3 C11_3 P20_3 O29_3 94.6(11)   . . . . ?
C12_3 C11_3 P20_3 O29_3 -90.8(10)  . . . . ?
C10_3 C11_3 P20_3 C19_3 -133.9(10) . . . . ?
C12_3 C11_3 P20_3 C19_3 40.7(10)   . . . . ?
C10_3 C11_3 P20_3 C21_3 -35.9(10)  . . . . ?
C12_3 C11_3 P20_3 C21_3 138.7(9)   . . . . ?
O29_3 P20_3 C21_3 C26_3 -91.1(11)  . . . . ?
C19_3 P20_3 C21_3 C26_3 139.0(10)  . . . . ?
C11_3 P20_3 C21_3 C26_3 40.7(10)   . . . . ?
O29_3 P20_3 C21_3 C22_3 91.9(11)   . . . . ?
C19_3 P20_3 C21_3 C22_3 -38.1(10)  . . . . ?
C11_3 P20_3 C21_3 C22_3 -136.3(10) . . . . ?
C26_3 C21_3 C22_3 C23_3 5.2(16)    . . . . ?
P20_3 C21_3 C22_3 C23_3 -177.7(12) . . . . ?
C26_3 C21_3 C22_3 O28_3 -172.3(11) . . . . ?
P20_3 C21_3 C22_3 O28_3 4.7(14)    . . . . ?
O28_3 C22_3 C23_3 C24_3 177.3(13)  . . . . ?
C21_3 C22_3 C23_3 C24_3 0(2)       . . . . ?
C22_3 C23_3 C24_3 C25_3 -1(2)      . . . . ?
C23_3 C24_3 C25_3 C26_3 -3(2)      . . . . ?
C23_3 C24_3 C25_3 C30_3 177.3(14)  . . . . ?
C24_3 C25_3 C26_3 O27_3 -168.9(13) . . . . ?
C30_3 C25_3 C26_3 O27_3 10.8(17)   . . . . ?
C24_3 C25_3 C26_3 C21_3 8.0(16)    . . . . ?
C30_3 C25_3 C26_3 C21_3 -172.3(11) . . . . ?
C22_3 C21_3 C26_3 O27_3 168.0(11)  . . . . ?
P20_3 C21_3 C26_3 O27_3 -9.1(15)   . . . . ?
C22_3 C21_3 C26_3 C25_3 -9.0(15)   . . . . ?
P20_3 C21_3 C26_3 C25_3 173.9(10)  . . . . ?
C9_3  C10_3 O27_3 C26_3 -135.6(14) . . . . ?
C11_3 C10_3 O27_3 C26_3 45.0(16)   . . . . ?
C25_3 C26_3 O27_3 C10_3 137.5(13)  . . . . ?
C21_3 C26_3 O27_3 C10_3 -39.5(16)  . . . . ?
C23_3 C22_3 O28_3 C18_3 -139.2(13) . . . . ?
C21_3 C22_3 O28_3 C18_3 38.4(15)   . . . . ?
C19_3 C18_3 O28_3 C22_3 -37.3(15)  . . . . ?
C17_3 C18_3 O28_3 C22_3 138.0(11)  . . . . ?
C24_3 C25_3 C30_3 C35_3 -134.7(15) . . . . ?
C26_3 C25_3 C30_3 C35_3 45.6(16)   . . . . ?
C24_3 C25_3 C30_3 C31_3 40.8(18)   . . . . ?
C26_3 C25_3 C30_3 C31_3 -138.9(14) . . . . ?
C35_3 C30_3 C31_3 C32_3 2(2)       . . . . ?
C25_3 C30_3 C31_3 C32_3 -173.8(14) . . . . ?
C30_3 C31_3 C32_3 C33_3 -0.2(16)   . . . . ?
C31_3 C32_3 C33_3 N34_3 0.5(18)    . . . . ?
C32_3 C33_3 N34_3 C35_3 -3(2)      . . . . ?
C32_3 C33_3 N34_3 Pd3_1 177.3(12)  . . . . ?
C33_3 N34_3 C35_3 C30_3 4(3)       . . . . ?
Pd3_1 N34_3 C35_3 C30_3 -175.5(12) . . . . ?
C31_3 C30_3 C35_3 N34_3 -4(2)      . . . . ?
C25_3 C30_3 C35_3 N34_3 171.7(15)  . . . . ?
C16_3 C17_3 C36_3 C41_3 -128.8(13) . . . . ?
C18_3 C17_3 C36_3 C41_3 51.8(15)   . . . . ?
C16_3 C17_3 C36_3 C37_3 49.1(15)   . . . . ?
C18_3 C17_3 C36_3 C37_3 -130.3(12) . . . . ?
C41_3 C36_3 C37_3 C38_3 1.2(16)    . . . . ?
C17_3 C36_3 C37_3 C38_3 -176.7(11) . . . . ?
C36_3 C37_3 C38_3 C39_3 -1.2(14)   . . . . ?
C37_3 C38_3 C39_3 N40_3 -0.2(16)   . . . . ?
C38_3 C39_3 N40_3 C41_3 1.6(19)    . . . . ?
C38_3 C39_3 N40_3 Pd2_1 179.7(9)   . . . . ?
C39_3 N40_3 C41_3 C36_3 -2(2)      . . . . ?
Pd2_1 N40_3 C41_3 C36_3 -179.7(9)  . . . . ?
C37_3 C36_3 C41_3 N40_3 0.1(18)    . . . . ?
C17_3 C36_3 C41_3 N40_3 178.1(12)  . . . . ?
C6_4  N1_4  C2_4  C3_4  0(3)       . . . . ?
Pd1_1 N1_4  C2_4  C3_4  175.7(17)  . . . . ?
N1_4  C2_4  C3_4  C4_4  1(3)       . . . . ?
C2_4  C3_4  C4_4  C5_4  -2(3)      . . . . ?
C3_4  C4_4  C5_4  C6_4  3(2)       . . . . ?
C3_4  C4_4  C5_4  C7_4  -176.7(18) . . . . ?
C2_4  N1_4  C6_4  C5_4  0.4(17)    . . . . ?
Pd1_1 N1_4  C6_4  C5_4  -175.2(10) . . . . ?
C4_4  C5_4  C6_4  N1_4  -2.0(15)   . . . . ?
C7_4  C5_4  C6_4  N1_4  177.7(12)  . . . . ?
C6_4  C5_4  C7_4  C12_4 46.8(15)   . . . . ?
C4_4  C5_4  C7_4  C12_4 -133.5(14) . . . . ?
C6_4  C5_4  C7_4  C8_4  -137.3(14) . . . . ?
C4_4  C5_4  C7_4  C8_4  42.4(18)   . . . . ?
C12_4 C7_4  C8_4  C9_4  -5(2)      . . . . ?
C5_4  C7_4  C8_4  C9_4  179.0(16)  . . . . ?
C7_4  C8_4  C9_4  C10_4 -2(3)      . . . . ?
C8_4  C9_4  C10_4 O27_4 176.2(16)  . . . . ?
C8_4  C9_4  C10_4 C11_4 3(2)       . . . . ?
C9_4  C10_4 C11_4 C12_4 1.8(17)    . . . . ?
O27_4 C10_4 C11_4 C12_4 -171.3(12) . . . . ?
C9_4  C10_4 C11_4 P20_4 175.3(13)  . . . . ?
O27_4 C10_4 C11_4 P20_4 2.3(16)    . . . . ?
C8_4  C7_4  C12_4 O13_4 -167.2(13) . . . . ?
C5_4  C7_4  C12_4 O13_4 8.8(15)    . . . . ?
C8_4  C7_4  C12_4 C11_4 10.0(16)   . . . . ?
C5_4  C7_4  C12_4 C11_4 -174.0(10) . . . . ?
C10_4 C11_4 C12_4 C7_4  -8.5(14)   . . . . ?
P20_4 C11_4 C12_4 C7_4  177.8(10)  . . . . ?
C10_4 C11_4 C12_4 O13_4 168.6(11)  . . . . ?
P20_4 C11_4 C12_4 O13_4 -5.1(14)   . . . . ?
C7_4  C12_4 O13_4 C14_4 134.9(12)  . . . . ?
C11_4 C12_4 O13_4 C14_4 -42.3(15)  . . . . ?
C12_4 O13_4 C14_4 C15_4 -133.8(14) . . . . ?
C12_4 O13_4 C14_4 C19_4 44.5(15)   . . . . ?
O13_4 C14_4 C15_4 C16_4 177.4(15)  . . . . ?
C19_4 C14_4 C15_4 C16_4 -1(2)      . . . . ?
C14_4 C15_4 C16_4 C17_4 2(3)       . . . . ?
C15_4 C16_4 C17_4 C18_4 -5(2)      . . . . ?
C15_4 C16_4 C17_4 C36_4 175.8(16)  . . . . ?
C16_4 C17_4 C18_4 O28_4 -167.3(14) . . . . ?
C36_4 C17_4 C18_4 O28_4 12.1(17)   . . . . ?
C16_4 C17_4 C18_4 C19_4 6.7(17)    . . . . ?
C36_4 C17_4 C18_4 C19_4 -173.9(11) . . . . ?
C15_4 C14_4 C19_4 C18_4 3.0(17)    . . . . ?
O13_4 C14_4 C19_4 C18_4 -175.3(12) . . . . ?
C15_4 C14_4 C19_4 P20_4 179.4(12)  . . . . ?
O13_4 C14_4 C19_4 P20_4 1.1(15)    . . . . ?
O28_4 C18_4 C19_4 C14_4 168.2(12)  . . . . ?
C17_4 C18_4 C19_4 C14_4 -6.0(15)   . . . . ?
O28_4 C18_4 C19_4 P20_4 -8.2(15)   . . . . ?
C17_4 C18_4 C19_4 P20_4 177.6(10)  . . . . ?
C10_4 C11_4 P20_4 O29_4 92.8(11)   . . . . ?
C12_4 C11_4 P20_4 O29_4 -93.6(10)  . . . . ?
C10_4 C11_4 P20_4 C19_4 -134.3(10) . . . . ?
C12_4 C11_4 P20_4 C19_4 39.3(10)   . . . . ?
C10_4 C11_4 P20_4 C21_4 -37.1(11)  . . . . ?
C12_4 C11_4 P20_4 C21_4 136.4(9)   . . . . ?
C14_4 C19_4 P20_4 O29_4 95.8(10)   . . . . ?
C18_4 C19_4 P20_4 O29_4 -87.8(10)  . . . . ?
C14_4 C19_4 P20_4 C11_4 -37.6(10)  . . . . ?
C18_4 C19_4 P20_4 C11_4 138.9(10)  . . . . ?
C14_4 C19_4 P20_4 C21_4 -134.3(10) . . . . ?
C18_4 C19_4 P20_4 C21_4 42.1(10)   . . . . ?
O29_4 P20_4 C21_4 C26_4 -91.2(11)  . . . . ?
C11_4 P20_4 C21_4 C26_4 40.2(10)   . . . . ?
C19_4 P20_4 C21_4 C26_4 138.0(10)  . . . . ?
O29_4 P20_4 C21_4 C22_4 92.4(10)   . . . . ?
C11_4 P20_4 C21_4 C22_4 -136.2(10) . . . . ?
C19_4 P20_4 C21_4 C22_4 -38.3(10)  . . . . ?
C26_4 C21_4 C22_4 C23_4 4.1(17)    . . . . ?
P20_4 C21_4 C22_4 C23_4 -179.6(13) . . . . ?
C26_4 C21_4 C22_4 O28_4 -174.8(12) . . . . ?
P20_4 C21_4 C22_4 O28_4 1.4(15)    . . . . ?
O28_4 C22_4 C23_4 C24_4 -177.3(16) . . . . ?
C21_4 C22_4 C23_4 C24_4 4(2)       . . . . ?
C22_4 C23_4 C24_4 C25_4 -6(3)      . . . . ?
C23_4 C24_4 C25_4 C26_4 1(2)       . . . . ?
C23_4 C24_4 C25_4 C30_4 -179.8(17) . . . . ?
C22_4 C21_4 C26_4 O27_4 168.3(12)  . . . . ?
P20_4 C21_4 C26_4 O27_4 -7.9(15)   . . . . ?
C22_4 C21_4 C26_4 C25_4 -9.7(16)   . . . . ?
P20_4 C21_4 C26_4 C25_4 174.1(10)  . . . . ?
C24_4 C25_4 C26_4 O27_4 -170.9(14) . . . . ?
C30_4 C25_4 C26_4 O27_4 9.8(18)    . . . . ?
C24_4 C25_4 C26_4 C21_4 7.1(17)    . . . . ?
C30_4 C25_4 C26_4 C21_4 -172.3(12) . . . . ?
C21_4 C26_4 O27_4 C10_4 -39.0(17)  . . . . ?
C25_4 C26_4 O27_4 C10_4 138.9(13)  . . . . ?
C9_4  C10_4 O27_4 C26_4 -130.6(15) . . . . ?
C11_4 C10_4 O27_4 C26_4 42.5(16)   . . . . ?
C17_4 C18_4 O28_4 C22_4 133.4(13)  . . . . ?
C19_4 C18_4 O28_4 C22_4 -40.7(16)  . . . . ?
C23_4 C22_4 O28_4 C18_4 -134.2(15) . . . . ?
C21_4 C22_4 O28_4 C18_4 44.7(16)   . . . . ?
C24_4 C25_4 C30_4 C31_4 38.8(18)   . . . . ?
C26_4 C25_4 C30_4 C31_4 -141.9(14) . . . . ?
C24_4 C25_4 C30_4 C35_4 -137.5(15) . . . . ?
C26_4 C25_4 C30_4 C35_4 41.8(17)   . . . . ?
C35_4 C30_4 C31_4 C32_4 1.9(19)    . . . . ?
C25_4 C30_4 C31_4 C32_4 -174.4(13) . . . . ?
C30_4 C31_4 C32_4 C33_4 -0.7(16)   . . . . ?
C31_4 C32_4 C33_4 N34_4 -1.6(18)   . . . . ?
C32_4 C33_4 N34_4 C35_4 2(2)       . . . . ?
C32_4 C33_4 N34_4 Pd4_1 174.7(12)  . . . . ?
C33_4 N34_4 C35_4 C30_4 -1(2)      . . . . ?
Pd4_1 N34_4 C35_4 C30_4 -173.4(11) . . . . ?
C31_4 C30_4 C35_4 N34_4 -1(2)      . . . . ?
C25_4 C30_4 C35_4 N34_4 175.4(13)  . . . . ?
C16_4 C17_4 C36_4 C37_4 42.3(19)   . . . . ?
C18_4 C17_4 C36_4 C37_4 -137.0(15) . . . . ?
C16_4 C17_4 C36_4 C41_4 -135.2(16) . . . . ?
C18_4 C17_4 C36_4 C41_4 45.5(16)   . . . . ?
C41_4 C36_4 C37_4 C38_4 1.3(19)    . . . . ?
C17_4 C36_4 C37_4 C38_4 -176.2(13) . . . . ?
C36_4 C37_4 C38_4 C39_4 -0.5(16)   . . . . ?
C37_4 C38_4 C39_4 N40_4 1.7(18)    . . . . ?
C38_4 C39_4 N40_4 C41_4 -4(2)      . . . . ?
C38_4 C39_4 N40_4 Pd3_1 178.4(11)  . . . . ?
C39_4 N40_4 C41_4 C36_4 4(2)       . . . . ?
Pd3_1 N40_4 C41_4 C36_4 -177.5(10) . . . . ?
C37_4 C36_4 C41_4 N40_4 -3(2)      . . . . ?
C17_4 C36_4 C41_4 N40_4 174.1(13)  . . . . ?
C6_5  N1_5  C2_5  C3_5  -1(2)      . . . . ?
Pd1_1 N1_5  C2_5  C3_5  -179.8(14) . . . . ?
N1_5  C2_5  C3_5  C4_5  3(3)       . . . . ?
C2_5  C3_5  C4_5  C5_5  -3(2)      . . . . ?
C3_5  C4_5  C5_5  C6_5  2.9(19)    . . . . ?
C3_5  C4_5  C5_5  C7_5  -174.4(14) . . . . ?
C2_5  N1_5  C6_5  C5_5  0.7(15)    . . . . ?
Pd1_1 N1_5  C6_5  C5_5  179.2(9)   . . . . ?
C4_5  C5_5  C6_5  N1_5  -1.6(14)   . . . . ?
C7_5  C5_5  C6_5  N1_5  175.7(12)  . . . . ?
C4_5  C5_5  C7_5  C8_5  48.7(17)   . . . . ?
C6_5  C5_5  C7_5  C8_5  -128.6(13) . . . . ?
C4_5  C5_5  C7_5  C12_5 -132.0(13) . . . . ?
C6_5  C5_5  C7_5  C12_5 50.7(14)   . . . . ?
C12_5 C7_5  C8_5  C9_5  0(2)       . . . . ?
C5_5  C7_5  C8_5  C9_5  179.7(14)  . . . . ?
C7_5  C8_5  C9_5  C10_5 -5(2)      . . . . ?
C8_5  C9_5  C10_5 O27_5 -178.5(13) . . . . ?
C8_5  C9_5  C10_5 C11_5 0.8(19)    . . . . ?
O27_5 C10_5 C11_5 C12_5 -173.5(11) . . . . ?
C9_5  C10_5 C11_5 C12_5 7.2(15)    . . . . ?
O27_5 C10_5 C11_5 P20_5 -0.3(14)   . . . . ?
C9_5  C10_5 C11_5 P20_5 -179.6(11) . . . . ?
C8_5  C7_5  C12_5 O13_5 -168.1(12) . . . . ?
C5_5  C7_5  C12_5 O13_5 12.6(15)   . . . . ?
C8_5  C7_5  C12_5 C11_5 7.9(15)    . . . . ?
C5_5  C7_5  C12_5 C11_5 -171.5(10) . . . . ?
C10_5 C11_5 C12_5 C7_5  -11.6(14)  . . . . ?
P20_5 C11_5 C12_5 C7_5  175.0(9)   . . . . ?
C10_5 C11_5 C12_5 O13_5 164.4(11)  . . . . ?
P20_5 C11_5 C12_5 O13_5 -8.9(14)   . . . . ?
C7_5  C12_5 O13_5 C14_5 138.1(12)  . . . . ?
C11_5 C12_5 O13_5 C14_5 -37.9(15)  . . . . ?
C12_5 O13_5 C14_5 C15_5 -134.5(14) . . . . ?
C12_5 O13_5 C14_5 C19_5 40.6(15)   . . . . ?
O13_5 C14_5 C15_5 C16_5 177.2(14)  . . . . ?
C19_5 C14_5 C15_5 C16_5 2(2)       . . . . ?
C14_5 C15_5 C16_5 C17_5 -1(3)      . . . . ?
C15_5 C16_5 C17_5 C18_5 -4(2)      . . . . ?
C15_5 C16_5 C17_5 C36_5 174.9(15)  . . . . ?
C16_5 C17_5 C18_5 O28_5 -168.0(13) . . . . ?
C36_5 C17_5 C18_5 O28_5 13.0(16)   . . . . ?
C16_5 C17_5 C18_5 C19_5 7.9(16)    . . . . ?
C36_5 C17_5 C18_5 C19_5 -171.2(11) . . . . ?
C15_5 C14_5 C19_5 C18_5 1.8(16)    . . . . ?
O13_5 C14_5 C19_5 C18_5 -173.3(11) . . . . ?
C15_5 C14_5 C19_5 P20_5 178.7(12)  . . . . ?
O13_5 C14_5 C19_5 P20_5 3.6(14)    . . . . ?
O28_5 C18_5 C19_5 C14_5 169.0(11)  . . . . ?
C17_5 C18_5 C19_5 C14_5 -6.9(14)   . . . . ?
O28_5 C18_5 C19_5 P20_5 -8.0(14)   . . . . ?
C17_5 C18_5 C19_5 P20_5 176.1(9)   . . . . ?
C10_5 C11_5 P20_5 O29_5 94.8(10)   . . . . ?
C12_5 C11_5 P20_5 O29_5 -92.1(10)  . . . . ?
C10_5 C11_5 P20_5 C19_5 -132.3(10) . . . . ?
C12_5 C11_5 P20_5 C19_5 40.8(10)   . . . . ?
C10_5 C11_5 P20_5 C21_5 -34.8(10)  . . . . ?
C12_5 C11_5 P20_5 C21_5 138.4(9)   . . . . ?
C14_5 C19_5 P20_5 O29_5 94.4(10)   . . . . ?
C18_5 C19_5 P20_5 O29_5 -88.7(10)  . . . . ?
C14_5 C19_5 P20_5 C11_5 -39.0(10)  . . . . ?
C18_5 C19_5 P20_5 C11_5 137.9(9)   . . . . ?
C14_5 C19_5 P20_5 C21_5 -135.7(10) . . . . ?
C18_5 C19_5 P20_5 C21_5 41.2(10)   . . . . ?
O29_5 P20_5 C21_5 C26_5 -91.9(11)  . . . . ?
C11_5 P20_5 C21_5 C26_5 39.6(11)   . . . . ?
C19_5 P20_5 C21_5 C26_5 136.9(10)  . . . . ?
O29_5 P20_5 C21_5 C22_5 91.1(10)   . . . . ?
C11_5 P20_5 C21_5 C22_5 -137.4(10) . . . . ?
C19_5 P20_5 C21_5 C22_5 -40.1(10)  . . . . ?
C26_5 C21_5 C22_5 C23_5 3.0(18)    . . . . ?
P20_5 C21_5 C22_5 C23_5 179.9(13)  . . . . ?
C26_5 C21_5 C22_5 O28_5 -170.7(13) . . . . ?
P20_5 C21_5 C22_5 O28_5 6.2(15)    . . . . ?
O28_5 C22_5 C23_5 C24_5 173.6(16)  . . . . ?
C21_5 C22_5 C23_5 C24_5 0(2)       . . . . ?
C22_5 C23_5 C24_5 C25_5 1(3)       . . . . ?
C23_5 C24_5 C25_5 C26_5 -4(2)      . . . . ?
C23_5 C24_5 C25_5 C30_5 173.5(16)  . . . . ?
C22_5 C21_5 C26_5 C25_5 -6.1(16)   . . . . ?
P20_5 C21_5 C26_5 C25_5 177.1(10)  . . . . ?
C22_5 C21_5 C26_5 O27_5 167.7(12)  . . . . ?
P20_5 C21_5 C26_5 O27_5 -9.1(15)   . . . . ?
C24_5 C25_5 C26_5 C21_5 6.5(17)    . . . . ?
C30_5 C25_5 C26_5 C21_5 -171.0(12) . . . . ?
C24_5 C25_5 C26_5 O27_5 -167.2(14) . . . . ?
C30_5 C25_5 C26_5 O27_5 15.3(17)   . . . . ?
C9_5  C10_5 O27_5 C26_5 -136.6(13) . . . . ?
C11_5 C10_5 O27_5 C26_5 44.0(15)   . . . . ?
C21_5 C26_5 O27_5 C10_5 -39.0(16)  . . . . ?
C25_5 C26_5 O27_5 C10_5 134.6(13)  . . . . ?
C17_5 C18_5 O28_5 C22_5 137.8(12)  . . . . ?
C19_5 C18_5 O28_5 C22_5 -38.0(16)  . . . . ?
C23_5 C22_5 O28_5 C18_5 -134.7(14) . . . . ?
C21_5 C22_5 O28_5 C18_5 39.0(17)   . . . . ?
C26_5 C25_5 C30_5 C31_5 -139.3(14) . . . . ?
C24_5 C25_5 C30_5 C31_5 43.2(17)   . . . . ?
C26_5 C25_5 C30_5 C35_5 47.6(17)   . . . . ?
C24_5 C25_5 C30_5 C35_5 -129.9(15) . . . . ?
C35_5 C30_5 C31_5 C32_5 -3.5(18)   . . . . ?
C25_5 C30_5 C31_5 C32_5 -176.8(13) . . . . ?
C30_5 C31_5 C32_5 C33_5 1.0(16)    . . . . ?
C31_5 C32_5 C33_5 N34_5 1.2(17)    . . . . ?
C32_5 C33_5 N34_5 C35_5 -1(2)      . . . . ?
C32_5 C33_5 N34_5 Pd5_1 177.9(11)  . . . . ?
C33_5 N34_5 C35_5 C30_5 -2(2)      . . . . ?
Pd5_1 N34_5 C35_5 C30_5 179.4(11)  . . . . ?
C31_5 C30_5 C35_5 N34_5 4(2)       . . . . ?
C25_5 C30_5 C35_5 N34_5 177.3(14)  . . . . ?
C16_5 C17_5 C36_5 C41_5 -136.2(15) . . . . ?
C18_5 C17_5 C36_5 C41_5 42.8(16)   . . . . ?
C16_5 C17_5 C36_5 C37_5 41.8(17)   . . . . ?
C18_5 C17_5 C36_5 C37_5 -139.1(13) . . . . ?
C41_5 C36_5 C37_5 C38_5 -1.0(18)   . . . . ?
C17_5 C36_5 C37_5 C38_5 -179.1(12) . . . . ?
C36_5 C37_5 C38_5 C39_5 0.5(15)    . . . . ?
C37_5 C38_5 C39_5 N40_5 4.1(17)    . . . . ?
C38_5 C39_5 N40_5 C41_5 -8(2)      . . . . ?
C38_5 C39_5 N40_5 Pd4_1 177.9(11)  . . . . ?
C39_5 N40_5 C41_5 C36_5 7(2)       . . . . ?
Pd4_1 N40_5 C41_5 C36_5 -178.4(11) . . . . ?
C37_5 C36_5 C41_5 N40_5 -3(2)      . . . . ?
C17_5 C36_5 C41_5 N40_5 175.2(15)  . . . . ?
C6_6  N1_6  C2_6  C3_6  0(3)       . . . . ?
Pd6_1 N1_6  C2_6  C3_6  176.5(15)  . . . . ?
N1_6  C2_6  C3_6  C4_6  1(3)       . . . . ?
C2_6  C3_6  C4_6  C5_6  -2(3)      . . . . ?
C3_6  C4_6  C5_6  C6_6  2(2)       . . . . ?
C3_6  C4_6  C5_6  C7_6  -178.1(15) . . . . ?
C2_6  N1_6  C6_6  C5_6  -0.9(16)   . . . . ?
Pd6_1 N1_6  C6_6  C5_6  -177.1(9)  . . . . ?
C4_6  C5_6  C6_6  N1_6  -0.1(14)   . . . . ?
C7_6  C5_6  C6_6  N1_6  179.6(12)  . . . . ?
C4_6  C5_6  C7_6  C12_6 -134.2(14) . . . . ?
C6_6  C5_6  C7_6  C12_6 46.1(16)   . . . . ?
C4_6  C5_6  C7_6  C8_6  50.7(17)   . . . . ?
C6_6  C5_6  C7_6  C8_6  -129.1(14) . . . . ?
C12_6 C7_6  C8_6  C9_6  1(2)       . . . . ?
C5_6  C7_6  C8_6  C9_6  176.2(15)  . . . . ?
C7_6  C8_6  C9_6  C10_6 -6(3)      . . . . ?
C8_6  C9_6  C10_6 C11_6 4(2)       . . . . ?
C8_6  C9_6  C10_6 O27_6 179.3(15)  . . . . ?
C9_6  C10_6 C11_6 C12_6 3.9(17)    . . . . ?
O27_6 C10_6 C11_6 C12_6 -171.4(12) . . . . ?
C9_6  C10_6 C11_6 P20_6 177.6(12)  . . . . ?
O27_6 C10_6 C11_6 P20_6 2.4(16)    . . . . ?
C8_6  C7_6  C12_6 C11_6 7.5(18)    . . . . ?
C5_6  C7_6  C12_6 C11_6 -167.8(12) . . . . ?
C8_6  C7_6  C12_6 O13_6 -170.0(14) . . . . ?
C5_6  C7_6  C12_6 O13_6 14.8(17)   . . . . ?
C10_6 C11_6 C12_6 C7_6  -9.9(16)   . . . . ?
P20_6 C11_6 C12_6 C7_6  176.2(11)  . . . . ?
C10_6 C11_6 C12_6 O13_6 167.5(12)  . . . . ?
P20_6 C11_6 C12_6 O13_6 -6.3(15)   . . . . ?
C7_6  C12_6 O13_6 C14_6 137.6(12)  . . . . ?
C11_6 C12_6 O13_6 C14_6 -39.9(16)  . . . . ?
C12_6 O13_6 C14_6 C15_6 -134.9(15) . . . . ?
C12_6 O13_6 C14_6 C19_6 41.8(16)   . . . . ?
O13_6 C14_6 C15_6 C16_6 179.1(15)  . . . . ?
C19_6 C14_6 C15_6 C16_6 2(2)       . . . . ?
C14_6 C15_6 C16_6 C17_6 -5(3)      . . . . ?
C15_6 C16_6 C17_6 C18_6 0(2)       . . . . ?
C15_6 C16_6 C17_6 C36_6 179.3(15)  . . . . ?
C16_6 C17_6 C18_6 O28_6 -170.9(13) . . . . ?
C36_6 C17_6 C18_6 O28_6 10.0(16)   . . . . ?
C16_6 C17_6 C18_6 C19_6 7.3(16)    . . . . ?
C36_6 C17_6 C18_6 C19_6 -171.7(11) . . . . ?
C15_6 C14_6 C19_6 C18_6 5.3(17)    . . . . ?
O13_6 C14_6 C19_6 C18_6 -171.4(12) . . . . ?
C15_6 C14_6 C19_6 P20_6 179.7(13)  . . . . ?
O13_6 C14_6 C19_6 P20_6 3.0(16)    . . . . ?
O28_6 C18_6 C19_6 C14_6 167.9(12)  . . . . ?
C17_6 C18_6 C19_6 C14_6 -10.4(15)  . . . . ?
O28_6 C18_6 C19_6 P20_6 -6.6(14)   . . . . ?
C17_6 C18_6 C19_6 P20_6 175.1(10)  . . . . ?
C10_6 C11_6 P20_6 O29_6 92.2(11)   . . . . ?
C12_6 C11_6 P20_6 O29_6 -94.2(11)  . . . . ?
C10_6 C11_6 P20_6 C19_6 -134.2(10) . . . . ?
C12_6 C11_6 P20_6 C19_6 39.5(11)   . . . . ?
C10_6 C11_6 P20_6 C21_6 -37.5(11)  . . . . ?
C12_6 C11_6 P20_6 C21_6 136.1(10)  . . . . ?
C14_6 C19_6 P20_6 O29_6 95.0(11)   . . . . ?
C18_6 C19_6 P20_6 O29_6 -90.4(11)  . . . . ?
C14_6 C19_6 P20_6 C11_6 -38.3(11)  . . . . ?
C18_6 C19_6 P20_6 C11_6 136.3(10)  . . . . ?
C14_6 C19_6 P20_6 C21_6 -133.6(10) . . . . ?
C18_6 C19_6 P20_6 C21_6 41.0(10)   . . . . ?
O29_6 P20_6 C21_6 C22_6 92.0(10)   . . . . ?
C11_6 P20_6 C21_6 C22_6 -137.3(10) . . . . ?
C19_6 P20_6 C21_6 C22_6 -40.6(10)  . . . . ?
O29_6 P20_6 C21_6 C26_6 -90.5(11)  . . . . ?
C11_6 P20_6 C21_6 C26_6 40.2(10)   . . . . ?
C19_6 P20_6 C21_6 C26_6 136.9(10)  . . . . ?
C26_6 C21_6 C22_6 C23_6 6.3(17)    . . . . ?
P20_6 C21_6 C22_6 C23_6 -176.3(12) . . . . ?
C26_6 C21_6 C22_6 O28_6 -172.0(11) . . . . ?
P20_6 C21_6 C22_6 O28_6 5.4(15)    . . . . ?
O28_6 C22_6 C23_6 C24_6 173.1(15)  . . . . ?
C21_6 C22_6 C23_6 C24_6 -5(2)      . . . . ?
C22_6 C23_6 C24_6 C25_6 5(2)       . . . . ?
C23_6 C24_6 C25_6 C26_6 -5(2)      . . . . ?
C23_6 C24_6 C25_6 C30_6 174.6(15)  . . . . ?
C24_6 C25_6 C26_6 O27_6 -169.6(14) . . . . ?
C30_6 C25_6 C26_6 O27_6 10.7(16)   . . . . ?
C24_6 C25_6 C26_6 C21_6 5.8(16)    . . . . ?
C30_6 C25_6 C26_6 C21_6 -173.9(11) . . . . ?
C22_6 C21_6 C26_6 O27_6 169.0(12)  . . . . ?
P20_6 C21_6 C26_6 O27_6 -8.4(14)   . . . . ?
C22_6 C21_6 C26_6 C25_6 -6.5(15)   . . . . ?
P20_6 C21_6 C26_6 C25_6 176.1(10)  . . . . ?
C25_6 C26_6 O27_6 C10_6 136.3(13)  . . . . ?
C21_6 C26_6 O27_6 C10_6 -39.1(16)  . . . . ?
C9_6  C10_6 O27_6 C26_6 -132.6(14) . . . . ?
C11_6 C10_6 O27_6 C26_6 42.7(17)   . . . . ?
C17_6 C18_6 O28_6 C22_6 137.2(12)  . . . . ?
C19_6 C18_6 O28_6 C22_6 -41.1(16)  . . . . ?
C23_6 C22_6 O28_6 C18_6 -136.5(14) . . . . ?
C21_6 C22_6 O28_6 C18_6 41.8(16)   . . . . ?
C24_6 C25_6 C30_6 C35_6 -130.2(15) . . . . ?
C26_6 C25_6 C30_6 C35_6 49.6(16)   . . . . ?
C24_6 C25_6 C30_6 C31_6 50.2(17)   . . . . ?
C26_6 C25_6 C30_6 C31_6 -130.1(14) . . . . ?
C35_6 C30_6 C31_6 C32_6 3.4(19)    . . . . ?
C25_6 C30_6 C31_6 C32_6 -176.9(13) . . . . ?
C30_6 C31_6 C32_6 C33_6 -1.5(16)   . . . . ?
C31_6 C32_6 C33_6 N34_6 0.9(18)    . . . . ?
C32_6 C33_6 N34_6 C35_6 -2(2)      . . . . ?
C32_6 C33_6 N34_6 Pd5_1 -178.6(11) . . . . ?
C33_6 N34_6 C35_6 C30_6 4(2)       . . . . ?
Pd5_1 N34_6 C35_6 C30_6 -179.1(11) . . . . ?
C31_6 C30_6 C35_6 N34_6 -5(2)      . . . . ?
C25_6 C30_6 C35_6 N34_6 175.3(13)  . . . . ?
C16_6 C17_6 C36_6 C41_6 -131.6(14) . . . . ?
C18_6 C17_6 C36_6 C41_6 47.3(16)   . . . . ?
C16_6 C17_6 C36_6 C37_6 45.2(18)   . . . . ?
C18_6 C17_6 C36_6 C37_6 -135.8(14) . . . . ?
C41_6 C36_6 C37_6 C38_6 -0.8(18)   . . . . ?
C17_6 C36_6 C37_6 C38_6 -177.8(13) . . . . ?
C36_6 C37_6 C38_6 C39_6 -0.1(16)   . . . . ?
C37_6 C38_6 C39_6 N40_6 2.6(17)    . . . . ?
C38_6 C39_6 N40_6 C41_6 -4(2)      . . . . ?
C38_6 C39_6 N40_6 Pd2_1 178.9(10)  . . . . ?
C39_6 N40_6 C41_6 C36_6 3(2)       . . . . ?
Pd2_1 N40_6 C41_6 C36_6 -179.9(10) . . . . ?
C37_6 C36_6 C41_6 N40_6 -1(2)      . . . . ?
C17_6 C36_6 C41_6 N40_6 176.3(14)  . . . . ?
C6_7  N1_7  C2_7  C3_7  -8(3)      . . . . ?
Pd6_1 N1_7  C2_7  C3_7  173.3(18)  . . . . ?
N1_7  C2_7  C3_7  C4_7  15(4)      . . . . ?
C2_7  C3_7  C4_7  C5_7  -15(3)     . . . . ?
C3_7  C4_7  C5_7  C6_7  9(2)       . . . . ?
C3_7  C4_7  C5_7  C7_7  -166.9(18) . . . . ?
C2_7  N1_7  C6_7  C5_7  2.0(19)    . . . . ?
Pd6_1 N1_7  C6_7  C5_7  -179.5(12) . . . . ?
C4_7  C5_7  C6_7  N1_7  -2.6(16)   . . . . ?
C7_7  C5_7  C6_7  N1_7  173.5(14)  . . . . ?
C6_7  C5_7  C7_7  C8_7  -129.5(14) . . . . ?
C4_7  C5_7  C7_7  C8_7  46.5(18)   . . . . ?
C6_7  C5_7  C7_7  C12_7 52.3(15)   . . . . ?
C4_7  C5_7  C7_7  C12_7 -131.7(15) . . . . ?
C12_7 C7_7  C8_7  C9_7  -1(2)      . . . . ?
C5_7  C7_7  C8_7  C9_7  -179.5(15) . . . . ?
C7_7  C8_7  C9_7  C10_7 -1(2)      . . . . ?
C8_7  C9_7  C10_7 O27_7 179.1(14)  . . . . ?
C8_7  C9_7  C10_7 C11_7 -1(2)      . . . . ?
C9_7  C10_7 C11_7 C12_7 6.0(17)    . . . . ?
O27_7 C10_7 C11_7 C12_7 -174.2(11) . . . . ?
C9_7  C10_7 C11_7 P20_7 -176.4(12) . . . . ?
O27_7 C10_7 C11_7 P20_7 3.4(15)    . . . . ?
C8_7  C7_7  C12_7 O13_7 -167.5(13) . . . . ?
C5_7  C7_7  C12_7 O13_7 10.7(16)   . . . . ?
C8_7  C7_7  C12_7 C11_7 6.0(16)    . . . . ?
C5_7  C7_7  C12_7 C11_7 -175.8(10) . . . . ?
C10_7 C11_7 C12_7 O13_7 165.5(12)  . . . . ?
P20_7 C11_7 C12_7 O13_7 -12.1(14)  . . . . ?
C10_7 C11_7 C12_7 C7_7  -8.3(14)   . . . . ?
P20_7 C11_7 C12_7 C7_7  174.1(10)  . . . . ?
C7_7  C12_7 O13_7 C14_7 139.7(12)  . . . . ?
C11_7 C12_7 O13_7 C14_7 -33.6(16)  . . . . ?
C12_7 O13_7 C14_7 C15_7 -138.8(14) . . . . ?
C12_7 O13_7 C14_7 C19_7 39.9(17)   . . . . ?
C19_7 C14_7 C15_7 C16_7 2(2)       . . . . ?
O13_7 C14_7 C15_7 C16_7 -179.6(15) . . . . ?
C14_7 C15_7 C16_7 C17_7 -7(3)      . . . . ?
C15_7 C16_7 C17_7 C18_7 3(2)       . . . . ?
C15_7 C16_7 C17_7 C36_7 -179.3(15) . . . . ?
C16_7 C17_7 C18_7 O28_7 -170.3(13) . . . . ?
C36_7 C17_7 C18_7 O28_7 11.7(17)   . . . . ?
C16_7 C17_7 C18_7 C19_7 5.8(16)    . . . . ?
C36_7 C17_7 C18_7 C19_7 -172.2(11) . . . . ?
C15_7 C14_7 C19_7 C18_7 6.7(17)    . . . . ?
O13_7 C14_7 C19_7 C18_7 -172.0(12) . . . . ?
C15_7 C14_7 C19_7 P20_7 179.6(12)  . . . . ?
O13_7 C14_7 C19_7 P20_7 1.0(15)    . . . . ?
O28_7 C18_7 C19_7 C14_7 165.5(12)  . . . . ?
C17_7 C18_7 C19_7 C14_7 -10.6(16)  . . . . ?
O28_7 C18_7 C19_7 P20_7 -7.6(15)   . . . . ?
C17_7 C18_7 C19_7 P20_7 176.3(10)  . . . . ?
C10_7 C11_7 P20_7 O29_7 92.0(11)   . . . . ?
C12_7 C11_7 P20_7 O29_7 -90.4(10)  . . . . ?
C10_7 C11_7 P20_7 C21_7 -37.9(11)  . . . . ?
C12_7 C11_7 P20_7 C21_7 139.7(10)  . . . . ?
C10_7 C11_7 P20_7 C19_7 -136.9(10) . . . . ?
C12_7 C11_7 P20_7 C19_7 40.7(10)   . . . . ?
C14_7 C19_7 P20_7 O29_7 95.4(11)   . . . . ?
C18_7 C19_7 P20_7 O29_7 -91.5(11)  . . . . ?
C14_7 C19_7 P20_7 C11_7 -35.8(11)  . . . . ?
C18_7 C19_7 P20_7 C11_7 137.3(10)  . . . . ?
C14_7 C19_7 P20_7 C21_7 -132.5(10) . . . . ?
C18_7 C19_7 P20_7 C21_7 40.7(11)   . . . . ?
O29_7 P20_7 C21_7 C22_7 94.8(10)   . . . . ?
C11_7 P20_7 C21_7 C22_7 -135.4(10) . . . . ?
C19_7 P20_7 C21_7 C22_7 -37.2(10)  . . . . ?
O29_7 P20_7 C21_7 C26_7 -88.6(11)  . . . . ?
C11_7 P20_7 C21_7 C26_7 41.2(10)   . . . . ?
C19_7 P20_7 C21_7 C26_7 139.4(10)  . . . . ?
C26_7 C21_7 C22_7 C23_7 7.8(17)    . . . . ?
P20_7 C21_7 C22_7 C23_7 -175.5(12) . . . . ?
C26_7 C21_7 C22_7 O28_7 -175.2(11) . . . . ?
P20_7 C21_7 C22_7 O28_7 1.4(15)    . . . . ?
C21_7 C22_7 C23_7 C24_7 -3(2)      . . . . ?
O28_7 C22_7 C23_7 C24_7 179.6(13)  . . . . ?
C22_7 C23_7 C24_7 C25_7 1(2)       . . . . ?
C23_7 C24_7 C25_7 C26_7 -3(2)      . . . . ?
C23_7 C24_7 C25_7 C30_7 176.6(14)  . . . . ?
C24_7 C25_7 C26_7 O27_7 -169.4(13) . . . . ?
C30_7 C25_7 C26_7 O27_7 10.8(17)   . . . . ?
C24_7 C25_7 C26_7 C21_7 7.3(16)    . . . . ?
C30_7 C25_7 C26_7 C21_7 -172.4(11) . . . . ?
C22_7 C21_7 C26_7 C25_7 -9.8(15)   . . . . ?
P20_7 C21_7 C26_7 C25_7 173.7(10)  . . . . ?
C22_7 C21_7 C26_7 O27_7 167.1(12)  . . . . ?
P20_7 C21_7 C26_7 O27_7 -9.4(15)   . . . . ?
C25_7 C26_7 O27_7 C10_7 139.0(12)  . . . . ?
C21_7 C26_7 O27_7 C10_7 -37.8(16)  . . . . ?
C9_7  C10_7 O27_7 C26_7 -139.2(14) . . . . ?
C11_7 C10_7 O27_7 C26_7 41.1(16)   . . . . ?
C19_7 C18_7 O28_7 C22_7 -38.1(16)  . . . . ?
C17_7 C18_7 O28_7 C22_7 138.0(12)  . . . . ?
C23_7 C22_7 O28_7 C18_7 -140.7(13) . . . . ?
C21_7 C22_7 O28_7 C18_7 42.3(16)   . . . . ?
C26_7 C25_7 C30_7 C31_7 -138.2(14) . . . . ?
C24_7 C25_7 C30_7 C31_7 42.0(17)   . . . . ?
C26_7 C25_7 C30_7 C35_7 45.8(16)   . . . . ?
C24_7 C25_7 C30_7 C35_7 -134.0(14) . . . . ?
C35_7 C30_7 C31_7 C32_7 1.7(19)    . . . . ?
C25_7 C30_7 C31_7 C32_7 -174.4(13) . . . . ?
C30_7 C31_7 C32_7 C33_7 -1.0(16)   . . . . ?
C31_7 C32_7 C33_7 N34_7 -0.3(17)   . . . . ?
C32_7 C33_7 N34_7 C35_7 1(2)       . . . . ?
C32_7 C33_7 N34_7 Pd2_1 175.3(12)  . . . . ?
C33_7 N34_7 C35_7 C30_7 0(2)       . . . . ?
Pd2_1 N34_7 C35_7 C30_7 -174.7(11) . . . . ?
C31_7 C30_7 C35_7 N34_7 -1(2)      . . . . ?
C25_7 C30_7 C35_7 N34_7 174.9(13)  . . . . ?
C16_7 C17_7 C36_7 C41_7 -130.1(15) . . . . ?
C18_7 C17_7 C36_7 C41_7 47.8(16)   . . . . ?
C16_7 C17_7 C36_7 C37_7 48.0(17)   . . . . ?
C18_7 C17_7 C36_7 C37_7 -134.1(14) . . . . ?
C41_7 C36_7 C37_7 C38_7 0.6(19)    . . . . ?
C17_7 C36_7 C37_7 C38_7 -177.5(13) . . . . ?
C36_7 C37_7 C38_7 C39_7 0.2(15)    . . . . ?
C37_7 C38_7 C39_7 N40_7 1.1(17)    . . . . ?
C38_7 C39_7 N40_7 C41_7 -3(2)      . . . . ?
C38_7 C39_7 N40_7 Pd3_1 178.4(11)  . . . . ?
C39_7 N40_7 C41_7 C36_7 4(2)       . . . . ?
Pd3_1 N40_7 C41_7 C36_7 -177.6(10) . . . . ?
C37_7 C36_7 C41_7 N40_7 -3(2)      . . . . ?
C17_7 C36_7 C41_7 N40_7 175.5(14)  . . . . ?
C6_8  N1_8  C2_8  C3_8  7(2)       . . . . ?
Pd6_1 N1_8  C2_8  C3_8  -177.7(14) . . . . ?
N1_8  C2_8  C3_8  C4_8  -9(3)      . . . . ?
C2_8  C3_8  C4_8  C5_8  5(3)       . . . . ?
C3_8  C4_8  C5_8  C6_8  0(2)       . . . . ?
C3_8  C4_8  C5_8  C7_8  177.2(15)  . . . . ?
C2_8  N1_8  C6_8  C5_8  -1.3(16)   . . . . ?
Pd6_1 N1_8  C6_8  C5_8  -177.3(10) . . . . ?
C4_8  C5_8  C6_8  N1_8  -1.6(15)   . . . . ?
C7_8  C5_8  C6_8  N1_8  -179.3(13) . . . . ?
C4_8  C5_8  C7_8  C8_8  49.4(18)   . . . . ?
C6_8  C5_8  C7_8  C8_8  -133.0(14) . . . . ?
C4_8  C5_8  C7_8  C12_8 -130.1(14) . . . . ?
C6_8  C5_8  C7_8  C12_8 47.5(15)   . . . . ?
C12_8 C7_8  C8_8  C9_8  -4(2)      . . . . ?
C5_8  C7_8  C8_8  C9_8  176.2(16)  . . . . ?
C7_8  C8_8  C9_8  C10_8 0(3)       . . . . ?
C8_8  C9_8  C10_8 O27_8 175.6(16)  . . . . ?
C8_8  C9_8  C10_8 C11_8 1(2)       . . . . ?
O27_8 C10_8 C11_8 C12_8 -172.1(13) . . . . ?
C9_8  C10_8 C11_8 C12_8 2.8(18)    . . . . ?
O27_8 C10_8 C11_8 P20_8 4.4(16)    . . . . ?
C9_8  C10_8 C11_8 P20_8 179.2(13)  . . . . ?
C10_8 C11_8 C12_8 O13_8 167.2(13)  . . . . ?
P20_8 C11_8 C12_8 O13_8 -9.1(16)   . . . . ?
C10_8 C11_8 C12_8 C7_8  -7.0(16)   . . . . ?
P20_8 C11_8 C12_8 C7_8  176.6(10)  . . . . ?
C8_8  C7_8  C12_8 C11_8 7.6(17)    . . . . ?
C5_8  C7_8  C12_8 C11_8 -172.9(12) . . . . ?
C8_8  C7_8  C12_8 O13_8 -166.7(14) . . . . ?
C5_8  C7_8  C12_8 O13_8 12.9(16)   . . . . ?
C11_8 C12_8 O13_8 C14_8 -38.9(17)  . . . . ?
C7_8  C12_8 O13_8 C14_8 135.3(13)  . . . . ?
C12_8 O13_8 C14_8 C15_8 -135.4(14) . . . . ?
C12_8 O13_8 C14_8 C19_8 41.9(16)   . . . . ?
O13_8 C14_8 C15_8 C16_8 175.1(13)  . . . . ?
C19_8 C14_8 C15_8 C16_8 -2(2)      . . . . ?
C14_8 C15_8 C16_8 C17_8 1(2)       . . . . ?
C15_8 C16_8 C17_8 C18_8 -4(2)      . . . . ?
C15_8 C16_8 C17_8 C36_8 178.9(14)  . . . . ?
C16_8 C17_8 C18_8 O28_8 -169.3(13) . . . . ?
C36_8 C17_8 C18_8 O28_8 8.4(16)    . . . . ?
C16_8 C17_8 C18_8 C19_8 6.0(16)    . . . . ?
C36_8 C17_8 C18_8 C19_8 -176.4(11) . . . . ?
C15_8 C14_8 C19_8 C18_8 4.8(17)    . . . . ?
O13_8 C14_8 C19_8 C18_8 -172.3(11) . . . . ?
C15_8 C14_8 C19_8 P20_8 -180.0(12) . . . . ?
O13_8 C14_8 C19_8 P20_8 2.9(15)    . . . . ?
O28_8 C18_8 C19_8 C14_8 168.6(12)  . . . . ?
C17_8 C18_8 C19_8 C14_8 -6.6(15)   . . . . ?
O28_8 C18_8 C19_8 P20_8 -6.8(14)   . . . . ?
C17_8 C18_8 C19_8 P20_8 177.9(9)   . . . . ?
C14_8 C19_8 P20_8 O29_8 91.4(11)   . . . . ?
C18_8 C19_8 P20_8 O29_8 -93.3(10)  . . . . ?
C14_8 C19_8 P20_8 C21_8 -135.5(10) . . . . ?
C18_8 C19_8 P20_8 C21_8 39.8(10)   . . . . ?
C14_8 C19_8 P20_8 C11_8 -37.9(11)  . . . . ?
C18_8 C19_8 P20_8 C11_8 137.5(9)   . . . . ?
C12_8 C11_8 P20_8 O29_8 -87.9(12)  . . . . ?
C10_8 C11_8 P20_8 O29_8 95.6(12)   . . . . ?
C12_8 C11_8 P20_8 C21_8 137.4(11)  . . . . ?
C10_8 C11_8 P20_8 C21_8 -39.0(11)  . . . . ?
C12_8 C11_8 P20_8 C19_8 40.6(11)   . . . . ?
C10_8 C11_8 P20_8 C19_8 -135.8(11) . . . . ?
O29_8 P20_8 C21_8 C22_8 93.0(13)   . . . . ?
C19_8 P20_8 C21_8 C22_8 -38.7(11)  . . . . ?
C11_8 P20_8 C21_8 C22_8 -133.0(11) . . . . ?
O29_8 P20_8 C21_8 C26_8 -91.8(11)  . . . . ?
C19_8 P20_8 C21_8 C26_8 136.5(10)  . . . . ?
C11_8 P20_8 C21_8 C26_8 42.2(11)   . . . . ?
C26_8 C21_8 C22_8 C23_8 7.7(18)    . . . . ?
P20_8 C21_8 C22_8 C23_8 -177.2(14) . . . . ?
C26_8 C21_8 C22_8 O28_8 -173.5(12) . . . . ?
P20_8 C21_8 C22_8 O28_8 1.7(16)    . . . . ?
C21_8 C22_8 C23_8 C24_8 2(2)       . . . . ?
O28_8 C22_8 C23_8 C24_8 -177.0(16) . . . . ?
C22_8 C23_8 C24_8 C25_8 -7(3)      . . . . ?
C23_8 C24_8 C25_8 C26_8 2(2)       . . . . ?
C23_8 C24_8 C25_8 C30_8 179.4(16)  . . . . ?
C22_8 C21_8 C26_8 O27_8 163.3(12)  . . . . ?
P20_8 C21_8 C26_8 O27_8 -12.0(15)  . . . . ?
C22_8 C21_8 C26_8 C25_8 -12.4(15)  . . . . ?
P20_8 C21_8 C26_8 C25_8 172.3(10)  . . . . ?
C24_8 C25_8 C26_8 O27_8 -168.1(14) . . . . ?
C30_8 C25_8 C26_8 O27_8 14.7(17)   . . . . ?
C24_8 C25_8 C26_8 C21_8 7.6(17)    . . . . ?
C30_8 C25_8 C26_8 C21_8 -169.7(11) . . . . ?
C21_8 C26_8 O27_8 C10_8 -35.1(17)  . . . . ?
C25_8 C26_8 O27_8 C10_8 140.5(13)  . . . . ?
C9_8  C10_8 O27_8 C26_8 -136.3(15) . . . . ?
C11_8 C10_8 O27_8 C26_8 38.7(17)   . . . . ?
C19_8 C18_8 O28_8 C22_8 -40.9(17)  . . . . ?
C17_8 C18_8 O28_8 C22_8 134.1(13)  . . . . ?
C23_8 C22_8 O28_8 C18_8 -137.5(15) . . . . ?
C21_8 C22_8 O28_8 C18_8 43.6(17)   . . . . ?
C24_8 C25_8 C30_8 C35_8 -128.1(15) . . . . ?
C26_8 C25_8 C30_8 C35_8 49.2(17)   . . . . ?
C24_8 C25_8 C30_8 C31_8 47.1(17)   . . . . ?
C26_8 C25_8 C30_8 C31_8 -135.6(14) . . . . ?
C35_8 C30_8 C31_8 C32_8 1(2)       . . . . ?
C25_8 C30_8 C31_8 C32_8 -174.0(14) . . . . ?
C30_8 C31_8 C32_8 C33_8 -1.0(16)   . . . . ?
C31_8 C32_8 C33_8 N34_8 0.9(18)    . . . . ?
C32_8 C33_8 N34_8 C35_8 -1(2)      . . . . ?
C32_8 C33_8 N34_8 Pd4_1 178.4(12)  . . . . ?
C33_8 N34_8 C35_8 C30_8 2(2)       . . . . ?
Pd4_1 N34_8 C35_8 C30_8 -178.0(11) . . . . ?
C31_8 C30_8 C35_8 N34_8 -2(2)      . . . . ?
C25_8 C30_8 C35_8 N34_8 173.5(14)  . . . . ?
C16_8 C17_8 C36_8 C37_8 46.3(18)   . . . . ?
C18_8 C17_8 C36_8 C37_8 -131.4(15) . . . . ?
C16_8 C17_8 C36_8 C41_8 -136.3(15) . . . . ?
C18_8 C17_8 C36_8 C41_8 46.1(17)   . . . . ?
C41_8 C36_8 C37_8 C38_8 4(2)       . . . . ?
C17_8 C36_8 C37_8 C38_8 -179.0(15) . . . . ?
C36_8 C37_8 C38_8 C39_8 -2.3(17)   . . . . ?
C37_8 C38_8 C39_8 N40_8 3.5(19)    . . . . ?
C38_8 C39_8 N40_8 C41_8 -6(3)      . . . . ?
C38_8 C39_8 N40_8 Pd5_1 175.6(12)  . . . . ?
C39_8 N40_8 C41_8 C36_8 8(3)       . . . . ?
Pd5_1 N40_8 C41_8 C36_8 -174.0(12) . . . . ?
C37_8 C36_8 C41_8 N40_8 -7(2)      . . . . ?
C17_8 C36_8 C41_8 N40_8 176.0(16)  . . . . ?
C6_9  N1_9  C2_9  C3_9  3(3)       . . . . ?
Pd3_1 N1_9  C2_9  C3_9  -176.9(16) . . . . ?
N1_9  C2_9  C3_9  C4_9  -3(3)      . . . . ?
C2_9  C3_9  C4_9  C5_9  0(3)       . . . . ?
C3_9  C4_9  C5_9  C6_9  3(2)       . . . . ?
C3_9  C4_9  C5_9  C7_9  -175.6(19) . . . . ?
C2_9  N1_9  C6_9  C5_9  -0.6(17)   . . . . ?
Pd3_1 N1_9  C6_9  C5_9  179.6(10)  . . . . ?
C4_9  C5_9  C6_9  N1_9  -2.4(15)   . . . . ?
C7_9  C5_9  C6_9  N1_9  176.0(14)  . . . . ?
C6_9  C5_9  C7_9  C8_9  -127.2(14) . . . . ?
C4_9  C5_9  C7_9  C8_9  51.1(18)   . . . . ?
C6_9  C5_9  C7_9  C12_9 51.3(16)   . . . . ?
C4_9  C5_9  C7_9  C12_9 -130.4(15) . . . . ?
C12_9 C7_9  C8_9  C9_9  -1(2)      . . . . ?
C5_9  C7_9  C8_9  C9_9  177.9(15)  . . . . ?
C7_9  C8_9  C9_9  C10_9 -3(2)      . . . . ?
C8_9  C9_9  C10_9 O27_9 177.9(14)  . . . . ?
C8_9  C9_9  C10_9 C11_9 1(2)       . . . . ?
C9_9  C10_9 C11_9 C12_9 6.0(17)    . . . . ?
O27_9 C10_9 C11_9 C12_9 -171.3(12) . . . . ?
C9_9  C10_9 C11_9 P20_9 -179.6(12) . . . . ?
O27_9 C10_9 C11_9 P20_9 3.2(16)    . . . . ?
C10_9 C11_9 C12_9 O13_9 168.4(12)  . . . . ?
P20_9 C11_9 C12_9 O13_9 -6.1(15)   . . . . ?
C10_9 C11_9 C12_9 C7_9  -10.0(16)  . . . . ?
P20_9 C11_9 C12_9 C7_9  175.5(10)  . . . . ?
C8_9  C7_9  C12_9 C11_9 7.1(17)    . . . . ?
C5_9  C7_9  C12_9 C11_9 -171.5(11) . . . . ?
C8_9  C7_9  C12_9 O13_9 -171.2(13) . . . . ?
C5_9  C7_9  C12_9 O13_9 10.2(17)   . . . . ?
C11_9 C12_9 O13_9 C14_9 -40.0(16)  . . . . ?
C7_9  C12_9 O13_9 C14_9 138.3(13)  . . . . ?
C12_9 O13_9 C14_9 C15_9 -135.7(14) . . . . ?
C12_9 O13_9 C14_9 C19_9 42.3(16)   . . . . ?
O13_9 C14_9 C15_9 C16_9 179.1(16)  . . . . ?
C19_9 C14_9 C15_9 C16_9 1(2)       . . . . ?
C14_9 C15_9 C16_9 C17_9 -4(3)      . . . . ?
C15_9 C16_9 C17_9 C18_9 0(2)       . . . . ?
C15_9 C16_9 C17_9 C36_9 -179.6(17) . . . . ?
C16_9 C17_9 C18_9 O28_9 -170.5(14) . . . . ?
C36_9 C17_9 C18_9 O28_9 9.2(17)    . . . . ?
C16_9 C17_9 C18_9 C19_9 6.4(17)    . . . . ?
C36_9 C17_9 C18_9 C19_9 -173.9(11) . . . . ?
C15_9 C14_9 C19_9 C18_9 5.1(17)    . . . . ?
O13_9 C14_9 C19_9 C18_9 -172.8(12) . . . . ?
C15_9 C14_9 C19_9 P20_9 179.4(13)  . . . . ?
O13_9 C14_9 C19_9 P20_9 1.5(15)    . . . . ?
O28_9 C18_9 C19_9 C14_9 168.0(12)  . . . . ?
C17_9 C18_9 C19_9 C14_9 -9.0(15)   . . . . ?
O28_9 C18_9 C19_9 P20_9 -6.5(15)   . . . . ?
C17_9 C18_9 C19_9 P20_9 176.5(11)  . . . . ?
C14_9 C19_9 P20_9 O29_9 94.2(11)   . . . . ?
C18_9 C19_9 P20_9 O29_9 -91.5(11)  . . . . ?
C14_9 C19_9 P20_9 C11_9 -37.1(11)  . . . . ?
C18_9 C19_9 P20_9 C11_9 137.1(10)  . . . . ?
C14_9 C19_9 P20_9 C21_9 -135.5(11) . . . . ?
C18_9 C19_9 P20_9 C21_9 38.7(11)   . . . . ?
C12_9 C11_9 P20_9 O29_9 -91.4(11)  . . . . ?
C10_9 C11_9 P20_9 O29_9 93.9(11)   . . . . ?
C12_9 C11_9 P20_9 C19_9 38.6(10)   . . . . ?
C10_9 C11_9 P20_9 C19_9 -136.0(10) . . . . ?
C12_9 C11_9 P20_9 C21_9 137.5(10)  . . . . ?
C10_9 C11_9 P20_9 C21_9 -37.1(11)  . . . . ?
O29_9 P20_9 C21_9 C22_9 92.6(11)   . . . . ?
C19_9 P20_9 C21_9 C22_9 -37.6(11)  . . . . ?
C11_9 P20_9 C21_9 C22_9 -135.1(10) . . . . ?
O29_9 P20_9 C21_9 C26_9 -94.5(11)  . . . . ?
C19_9 P20_9 C21_9 C26_9 135.3(10)  . . . . ?
C11_9 P20_9 C21_9 C26_9 37.8(11)   . . . . ?
C26_9 C21_9 C22_9 C23_9 4.8(18)    . . . . ?
P20_9 C21_9 C22_9 C23_9 177.5(13)  . . . . ?
C26_9 C21_9 C22_9 O28_9 -169.5(12) . . . . ?
P20_9 C21_9 C22_9 O28_9 3.3(16)    . . . . ?
O28_9 C22_9 C23_9 C24_9 175.4(15)  . . . . ?
C21_9 C22_9 C23_9 C24_9 1(2)       . . . . ?
C22_9 C23_9 C24_9 C25_9 -3(3)      . . . . ?
C23_9 C24_9 C25_9 C26_9 -1(2)      . . . . ?
C23_9 C24_9 C25_9 C30_9 179.2(16)  . . . . ?
C22_9 C21_9 C26_9 O27_9 167.9(12)  . . . . ?
P20_9 C21_9 C26_9 O27_9 -4.9(15)   . . . . ?
C22_9 C21_9 C26_9 C25_9 -8.7(15)   . . . . ?
P20_9 C21_9 C26_9 C25_9 178.5(10)  . . . . ?
C24_9 C25_9 C26_9 O27_9 -169.8(14) . . . . ?
C30_9 C25_9 C26_9 O27_9 10.0(17)   . . . . ?
C24_9 C25_9 C26_9 C21_9 6.7(17)    . . . . ?
C30_9 C25_9 C26_9 C21_9 -173.4(11) . . . . ?
C9_9  C10_9 O27_9 C26_9 -136.3(14) . . . . ?
C11_9 C10_9 O27_9 C26_9 40.9(16)   . . . . ?
C21_9 C26_9 O27_9 C10_9 -39.8(16)  . . . . ?
C25_9 C26_9 O27_9 C10_9 136.7(12)  . . . . ?
C17_9 C18_9 O28_9 C22_9 137.7(13)  . . . . ?
C19_9 C18_9 O28_9 C22_9 -39.3(16)  . . . . ?
C23_9 C22_9 O28_9 C18_9 -133.4(14) . . . . ?
C21_9 C22_9 O28_9 C18_9 41.1(16)   . . . . ?
C24_9 C25_9 C30_9 C35_9 -134.5(17) . . . . ?
C26_9 C25_9 C30_9 C35_9 45.7(17)   . . . . ?
C24_9 C25_9 C30_9 C31_9 46.7(19)   . . . . ?
C26_9 C25_9 C30_9 C31_9 -133.1(14) . . . . ?
C35_9 C30_9 C31_9 C32_9 3(2)       . . . . ?
C25_9 C30_9 C31_9 C32_9 -178.2(14) . . . . ?
C30_9 C31_9 C32_9 C33_9 -2.2(16)   . . . . ?
C31_9 C32_9 C33_9 N34_9 -1.2(18)   . . . . ?
C32_9 C33_9 N34_9 C35_9 4(2)       . . . . ?
C32_9 C33_9 N34_9 Pd4_1 177.5(12)  . . . . ?
C33_9 N34_9 C35_9 C30_9 -3(3)      . . . . ?
Pd4_1 N34_9 C35_9 C30_9 -176.6(12) . . . . ?
C31_9 C30_9 C35_9 N34_9 0(2)       . . . . ?
C25_9 C30_9 C35_9 N34_9 -179.3(16) . . . . ?
C16_9 C17_9 C36_9 C37_9 45.1(18)   . . . . ?
C18_9 C17_9 C36_9 C37_9 -134.6(14) . . . . ?
C16_9 C17_9 C36_9 C41_9 -135.0(16) . . . . ?
C18_9 C17_9 C36_9 C41_9 45.3(17)   . . . . ?
C41_9 C36_9 C37_9 C38_9 2.2(19)    . . . . ?
C17_9 C36_9 C37_9 C38_9 -177.8(13) . . . . ?
C36_9 C37_9 C38_9 C39_9 0.3(16)    . . . . ?
C37_9 C38_9 C39_9 N40_9 0.7(18)    . . . . ?
C38_9 C39_9 N40_9 C41_9 -4(2)      . . . . ?
C38_9 C39_9 N40_9 Pd6_1 177.6(11)  . . . . ?
C39_9 N40_9 C41_9 C36_9 7(2)       . . . . ?
Pd6_1 N40_9 C41_9 C36_9 -174.9(11) . . . . ?
C37_9 C36_9 C41_9 N40_9 -6(2)      . . . . ?
C17_9 C36_9 C41_9 N40_9 173.9(14)  . . . . ?

_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details           ''

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1  -0.005 -0.005 0.006 10014 3742 ' '
2  0.045  0.727  0.268 10    0    ' '
3  0.142  0.856  0.143 6     0    ' '
4  0.256  0.760  0.246 108   22   ' '
5  0.345  0.644  0.366 10    0    ' '
6  0.359  0.861  0.155 10    1    ' '
7  0.358  0.629  0.149 6     0    ' '
8  0.447  0.769  0.229 13    3    ' '
9  0.554  0.231  0.771 13    3    ' '
10 0.641  0.139  0.845 10    1    ' '
11 0.642  0.371  0.851 6     0    ' '
12 0.655  0.356  0.634 10    0    ' '
13 0.745  0.240  0.754 108   22   ' '
14 0.858  0.144  0.857 6     0    ' '
15 0.955  0.272  0.732 10    0    ' '

