# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_lidz0470_zcs_xa_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2182304'
loop_
_audit_author_name
_audit_author_address
'Ying Cheng'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2022-10-09 deposited with the CCDC.	2022-10-11 downloaded from the CCDC.
;
_audit_creation_date             2022-08-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C146 H176 N14 O8 P8 Pt4, 15[C2H3N], 6[C6H14O],'
_chemical_formula_sum            'C212 H305 N29 O14 P8 Pt4'
_chemical_formula_weight         4511.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   60.979(7)
_cell_length_b                   64.130(7)
_cell_length_c                   23.452(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.388(6)
_cell_angle_gamma                90
_cell_volume                     91305(18)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    9191
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      45.89
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   0.713
_shelx_estimated_absorpt_T_min   0.650
_exptl_absorpt_coefficient_mu    3.624
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark violet'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             26336
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1452
_diffrn_reflns_av_unetI/netI     0.0855
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       70
_diffrn_reflns_limit_h_min       -70
_diffrn_reflns_limit_k_max       74
_diffrn_reflns_limit_k_min       -74
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            481682
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        51.441
_diffrn_reflns_theta_max         51.441
_diffrn_reflns_theta_min         1.199
_diffrn_ambient_temperature      193(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   MetalJet
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_type              'Liquid Metal source'
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23008
_reflns_number_total             75534
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX4 V2021.10-0 (Bruker, 2021)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         4.010
_refine_diff_density_min         -2.809
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     3289
_refine_ls_number_reflns         75534
_refine_ls_number_restraints     11132
_refine_ls_R_factor_all          0.2721
_refine_ls_R_factor_gt           0.1571
_refine_ls_restrained_S_all      1.162
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+1500.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3510
_refine_ls_wR_factor_ref         0.4072
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H5A,H5B} of C5, {H3A,H3B} of C3, {H3A,H3B} of C3, {H1A,
  H1B} of C1, {H1A,H1B} of C1, {H1A,H1B} of C1, {H3A,H3B} of C3, {H5A,H5B} of
  C5, {H5A,H5B} of C5, {H1A,H1B} of C1, {H1A,H1B} of C1, {H3A,H3B} of C3, {H3A,
  H3B} of C3, {H5A,H5B} of C5, {H5A,H5B} of C5, {H3A,H3B} of C3, {H1A,H1B} of
  C1, {H3A,H3B} of C3, {H3A,H3B} of C3, {H5A,H5B} of C5, {H1A,H1B} of C1, {H5A,
  H5B} of C5, {H1A,H1B} of C1, {H1A,H1B} of C1, {H3A,H3B} of C3, {H1A,H1B} of
  C1, {H1A,H1B} of C1, {H5A,H5B} of C5, {H5A,H5B} of C5, {H3A,H3B} of C3, {H3A,
  H3B} of C3, {H1A,H1B} of C1, {H3A,H3B} of C3, {H5A,H5B} of C5, {H1A,H1B} of
  C1, {H3A,H3B} of C3, {H1A,H1B} of C1, {H3A,H3B} of C3, {H5A,H5B} of C5, {H5A,
  H5B} of C5, {H3A,H3B} of C3, {H5A,H5B} of C5, {H5A,H5B} of C5, {H1A,H1B} of
  C1, {H3A,H3B} of C3, {H1A,H1B} of C1, {H3A,H3B} of C3, {H5A,H5B} of C5, {H1A,
  H1B} of C1, {H5A,H5B} of C5, {H5A,H5B} of C5, {H3A,H3B} of C3, {H1A,H1B} of
  C1, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, {H5A,H5B} of C5
2. Restrained distances
 Pt7A-P1_28
 2.25 with sigma of 0.01
 Pt08-P1_20
 2.25 with sigma of 0.01
 C1_8-C2_8 = C3_8-C4_8 = C5_8-C6_8
 C1_13-C2_13 = C3_13-C4_13 = C5_13-C6_13
 C1_14-C2_14 = C3_14-C4_14 = C5_14-C6_14
 C1_15-C2_15 = C3_15-C4_15 = C5_15-C6_15
 C1_16-C2_16 = C3_16-C4_16 = C5_16-C6_16
 C1_17-C2_17 = C3_17-C4_17 = C5_17-C6_17
 C1_18-C2_18 = C3_18-C4_18 = C5_18-C6_18
 C1_19-C2_19 = C3_19-C4_19 = C5_19-C6_19
 C1_20-C2_20 = C3_20-C4_20 = C5_20-C6_20
 C1_21-C2_21 = C3_21-C4_21 = C5_21-C6_21
 C1_22-C2_22 = C3_22-C4_22 = C5_22-C6_22
 C1_23-C2_23 = C3_23-C4_23 = C5_23-C6_23
 C1_24-C2_24 = C3_24-C4_24 = C5_24-C6_24
 C1_25-C2_25 = C3_25-C4_25 = C5_25-C6_25
 C1_26-C2_26 = C3_26-C4_26 = C5_26-C6_26
 C1_27-C2_27 = C3_27-C4_27 = C5_27-C6_27
 C1_28-C2_28 = C3_28-C4_28 = C5_28-C6_28
 C1_29-C2_29 = C3_29-C4_29 = C5_29-C6_29
 1.54 with sigma of 0.001
 P1_8-C1_8 = P1_8-C3_8 = P1_8-C5_8
 P1_13-C1_13 = P1_13-C3_13 = P1_13-C5_13
 P1_14-C1_14 = P1_14-C3_14 = P1_14-C5_14
 P1_15-C1_15 = P1_15-C3_15 = P1_15-C5_15
 P1_16-C1_16 = P1_16-C3_16 = P1_16-C5_16
 P1_17-C1_17 = P1_17-C3_17 = P1_17-C5_17
 P1_18-C1_18 = P1_18-C3_18 = P1_18-C5_18
 P1_19-C1_19 = P1_19-C3_19 = P1_19-C5_19
 P1_20-C1_20 = P1_20-C3_20 = P1_20-C5_20
 P1_21-C1_21 = P1_21-C3_21 = P1_21-C5_21
 P1_22-C1_22 = P1_22-C3_22 = P1_22-C5_22
 P1_23-C1_23 = P1_23-C3_23 = P1_23-C5_23
 P1_24-C1_24 = P1_24-C3_24 = P1_24-C5_24
 P1_25-C1_25 = P1_25-C3_25 = P1_25-C5_25
 P1_26-C1_26 = P1_26-C3_26 = P1_26-C5_26
 P1_27-C1_27 = P1_27-C3_27 = P1_27-C5_27
 P1_28-C1_28 = P1_28-C3_28 = P1_28-C5_28
 P1_29-C1_29 = P1_29-C3_29 = P1_29-C5_29
 1.88 with sigma of 0.01
 C1_6-C2_6 = C6_6-C7_6 = C11_6-C13_6 = C10_6-C14_6
 C1_9-C2_9 = C6_9-C7_9 = C11_9-C13_9 = C10_9-C14_9
 1.5 with sigma of 0.01
 C1_9-C2_9 = C6_9-C7_9
 1.5 with sigma of 0.01
 C2_6-O1_6 = C2_6-O2_6 = C6_6-O3_6 = C6_6-O4_6 = C10_6-O5_6 = C10_6-O6_6 =
 C11_6-O7_6 = C11_6-O8_6
 C2_9-O1_9 = C2_9-O2_9 = C6_9-O3_9 = C6_9-O4_9 = C10_9-O5_9 = C10_9-O6_9 =
 C11_9-O7_9 = C11_9-O8_9
 2.38 with sigma of 0.01
 C4_6-C8_6
 C4_9-C8_9
 1.5 with sigma of 0.01
 C1_8-C3_8 \\sim C1_8-C5_8 \\sim C3_8-C5_8
 C1_13-C3_13 \\sim C1_13-C5_13 \\sim C3_13-C5_13
 C1_14-C3_14 \\sim C1_14-C5_14 \\sim C3_14-C5_14
 C1_15-C3_15 \\sim C1_15-C5_15 \\sim C3_15-C5_15
 C1_16-C3_16 \\sim C1_16-C5_16 \\sim C3_16-C5_16
 C1_17-C3_17 \\sim C1_17-C5_17 \\sim C3_17-C5_17
 C1_18-C3_18 \\sim C1_18-C5_18 \\sim C3_18-C5_18
 C1_19-C3_19 \\sim C1_19-C5_19 \\sim C3_19-C5_19
 C1_20-C3_20 \\sim C1_20-C5_20 \\sim C3_20-C5_20
 C1_21-C3_21 \\sim C1_21-C5_21 \\sim C3_21-C5_21
 C1_22-C3_22 \\sim C1_22-C5_22 \\sim C3_22-C5_22
 C1_23-C3_23 \\sim C1_23-C5_23 \\sim C3_23-C5_23
 C1_24-C3_24 \\sim C1_24-C5_24 \\sim C3_24-C5_24
 C1_25-C3_25 \\sim C1_25-C5_25 \\sim C3_25-C5_25
 C1_26-C3_26 \\sim C1_26-C5_26 \\sim C3_26-C5_26
 C1_27-C3_27 \\sim C1_27-C5_27 \\sim C3_27-C5_27
 C1_28-C3_28 \\sim C1_28-C5_28 \\sim C3_28-C5_28
 C1_29-C3_29 \\sim C1_29-C5_29 \\sim C3_29-C5_29
 with sigma of 0.01
 C8_6-C3_6 \\sim C8_6-C5_6
 C8_9-C3_9 \\sim C8_9-C5_9
 with sigma of 0.01
 C4_6-C9_6 \\sim C4_6-C12_6
 C4_9-C9_9 \\sim C4_9-C12_9
 with sigma of 0.01
 C1_6-O1_6 \\sim C1_6-O2_6 \\sim C7_6-O3_6 \\sim C7_6-O4_6 \\sim C14_6-O5_6
\\sim C14_6-O6_6 ~
 C13_6-O7_6 \\sim C13_6-O8_6
 C1_9-O1_9 \\sim C1_9-O2_9 \\sim C7_9-O3_9 \\sim C7_9-O4_9 \\sim C14_9-O5_9
\\sim C14_9-O6_9 ~
 C13_9-O7_9 \\sim C13_9-O8_9
 with sigma of 0.01
 O1_6-O2_6 \\sim O3_6-O4_6 \\sim O5_6-O6_6 \\sim O7_6-O8_6
 O1_9-O2_9 \\sim O3_9-O4_9 \\sim O5_9-O6_9 \\sim O7_9-O8_9
 with sigma of 0.01
 C1_6-C3_6 \\sim C1_6-N1_6 \\sim C7_6-N1_6 \\sim C7_6-C5_6 \\sim C13_6-C12_6
\\sim C13_6-N2_6 ~
 C14_6-C9_6 \\sim C14_6-N2_6
 C1_9-C3_9 \\sim C1_9-N1_9 \\sim C7_9-N1_9 \\sim C7_9-C5_9 \\sim C13_9-C12_9
\\sim C13_9-N2_9 ~
 C14_9-C9_9 \\sim C14_9-N2_9
 with sigma of 0.01
 C2_6-O1_6 \\sim C2_6-O2_6 \\sim C6_6-O3_6 \\sim C6_6-O4_6
 C2_9-O1_9 \\sim C2_9-O2_9 \\sim C6_9-O3_9 \\sim C6_9-O4_9
 with sigma of 0.001
 C1_9-O1_9 \\sim C1_9-O2_9 \\sim C7_9-O3_9 \\sim C7_9-O4_9
 with sigma of 0.01
 Pt7A-C1_29 \\sim Pt7A-C3_29 \\sim Pt7A-C5_29
 with sigma of 0.01
3. Restrained planarity
 C1_6, N1_6, C2_6, C3_6, C4_6, C5_6, C6_6, C7_6, C8_6
 C1_9, N1_9, C2_9, C3_9, C4_9, C5_9, C6_9, C7_9, C8_9
 with sigma of 0.01
 C4_6, C8_6, C9_6, C10_6, N2_6, C11_6, C12_6, C13_6, C14_6
 C4_9, C8_9, C9_9, C10_9, N2_9, C11_9, C12_9, C13_9, C14_9
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2.5A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2.5A
: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C1_6 \\sim N1_6 \\sim C2_6 \\sim C3_6 \\sim C4_6 \\sim C5_6 \\sim C6_6 \\sim
C7_6 \\sim C8_6 \\sim C9_6 \\sim C10_6 \\sim N2_6 \\sim C11_6 \\sim C12_6 \\sim
C13_6 \\sim C14_6 \\sim O1_6 \\sim O2_6 \\sim O3_6 \\sim O4_6 \\sim O5_6 \\sim
O6_6 \\sim O7_6 \\sim O8_6 \\sim C1_9 \\sim N1_9 \\sim C2_9 \\sim C3_9 \\sim
C4_9 \\sim C5_9 \\sim C6_9 \\sim C7_9 \\sim C8_9 \\sim C9_9 \\sim C10_9 \\sim
N2_9 \\sim C11_9 \\sim C12_9 \\sim C13_9 \\sim C14_9 \\sim O1_9 \\sim O2_9
\\sim O3_9 \\sim O4_9 \\sim O5_9 \\sim O6_9 \\sim O7_9 \\sim O8_9: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
N1_2 \\sim C1_2 \\sim C2_2 \\sim C3_2 \\sim C4_2 \\sim C5_2 \\sim N2_2 \\sim
C6_2 \\sim C7_2 \\sim C8_2 \\sim C9_2 \\sim C10_2 \\sim C11_2 \\sim C12_2 \\sim
C13_2 \\sim C14_2 \\sim C15_2 \\sim C16_2 \\sim C17_2 \\sim C18_2 \\sim C19_2
\\sim C20_2 \\sim C21_2 \\sim C22_2 \\sim C23_2 \\sim C24_2 \\sim C25_2 \\sim
C26_2 \\sim C27_2 \\sim C28_2 \\sim C29_2 \\sim C30_2 \\sim C31_2 \\sim C32_2
\\sim C33_2 \\sim C34_2 \\sim C35_2 \\sim C36_2 \\sim C37_2 \\sim C38_2 \\sim
C39_2 \\sim C40_2 \\sim C41_2 \\sim C42_2 \\sim N3_2 \\sim N4_2 \\sim N5_2
\\sim N6_2 \\sim N1_3 \\sim C1_3 \\sim C2_3 \\sim C3_3 \\sim C4_3 \\sim C5_3
\\sim N2_3 \\sim C6_3 \\sim C7_3 \\sim C8_3 \\sim C9_3 \\sim C10_3 \\sim C11_3
\\sim C12_3 \\sim C13_3 \\sim C14_3 \\sim C15_3 \\sim C16_3 \\sim C17_3 \\sim
C18_3 \\sim C19_3 \\sim C20_3 \\sim C21_3 \\sim C22_3 \\sim C23_3 \\sim C24_3
\\sim C25_3 \\sim C26_3 \\sim C27_3 \\sim C28_3 \\sim C29_3 \\sim C30_3 \\sim
C31_3 \\sim C32_3 \\sim C33_3 \\sim C34_3 \\sim C35_3 \\sim C36_3 \\sim C37_3
\\sim C38_3 \\sim C39_3 \\sim C40_3 \\sim C41_3 \\sim C42_3 \\sim N3_3 \\sim
N4_3 \\sim N5_3 \\sim N6_3 \\sim N1_4 \\sim C1_4 \\sim C2_4 \\sim C3_4 \\sim
C4_4 \\sim C5_4 \\sim N2_4 \\sim C6_4 \\sim C7_4 \\sim C8_4 \\sim C9_4 \\sim
C10_4 \\sim C11_4 \\sim C12_4 \\sim C13_4 \\sim C14_4 \\sim C15_4 \\sim C16_4
\\sim C17_4 \\sim C18_4 \\sim C19_4 \\sim C20_4 \\sim C21_4 \\sim C22_4 \\sim
C23_4 \\sim C24_4 \\sim C25_4 \\sim C26_4 \\sim C27_4 \\sim C28_4 \\sim C29_4
\\sim C30_4 \\sim C31_4 \\sim C32_4 \\sim C33_4 \\sim C34_4 \\sim C35_4 \\sim
C36_4 \\sim C37_4 \\sim C38_4 \\sim C39_4 \\sim C40_4 \\sim C41_4 \\sim C42_4
\\sim N3_4 \\sim N4_4 \\sim N5_4 \\sim N6_4 \\sim N1_5 \\sim C1_5 \\sim C2_5
\\sim C3_5 \\sim C4_5 \\sim C5_5 \\sim N2_5 \\sim C6_5 \\sim C7_5 \\sim C8_5
\\sim C9_5 \\sim C10_5 \\sim C11_5 \\sim C12_5 \\sim C13_5 \\sim C14_5 \\sim
C15_5 \\sim C16_5 \\sim C17_5 \\sim C18_5 \\sim C19_5 \\sim C20_5 \\sim C21_5
\\sim C22_5 \\sim C23_5 \\sim C24_5 \\sim C25_5 \\sim C26_5 \\sim C27_5 \\sim
C28_5 \\sim C29_5 \\sim C30_5 \\sim C31_5 \\sim C32_5 \\sim C33_5 \\sim C34_5
\\sim C35_5 \\sim C36_5 \\sim C37_5 \\sim C38_5 \\sim C39_5 \\sim C40_5 \\sim
C41_5 \\sim C42_5 \\sim N3_5 \\sim N4_5 \\sim N5_5 \\sim N6_5: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(O4_9) \\sim Ueq, Uanis(O1_9) \\sim Ueq, Uanis(O2_9) \\sim Ueq,
Uanis(O5_9) \\sim Ueq, Uanis(O6_9) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O3_9) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
5. Rigid body (RIGU) restrains
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1_6, N1_6, C2_6, C3_6, C4_6, C5_6, C6_6, C7_6, C8_6, C9_6, C10_6, N2_6,
 C11_6, C12_6, C13_6, C14_6, O1_6, O2_6, O3_6, O4_6, O5_6, O6_6, O7_6, O8_6
 C1_9, N1_9, C2_9, C3_9, C4_9, C5_9, C6_9, C7_9, C8_9, C9_9, C10_9, N2_9,
 C11_9, C12_9, C13_9, C14_9, O1_9, O2_9, O3_9, O4_9, O5_9, O6_9, O7_9, O8_9
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N1_2, C1_2, C2_2, C3_2, C4_2, C5_2, N2_2, C6_2, C7_2, C8_2, C9_2, C10_2,
 C11_2, C12_2, C13_2, C14_2, C15_2, C16_2, C17_2, C18_2, C19_2, C20_2, C21_2,
 C22_2, C23_2, C24_2, C25_2, C26_2, C27_2, C28_2, C29_2, C30_2, C31_2, C32_2,
 C33_2, C34_2, C35_2, C36_2, C37_2, C38_2, C39_2, C40_2, C41_2, C42_2, N3_2,
 N4_2, N5_2, N6_2
 N1_3, C1_3, C2_3, C3_3, C4_3, C5_3, N2_3, C6_3, C7_3, C8_3, C9_3, C10_3,
 C11_3, C12_3, C13_3, C14_3, C15_3, C16_3, C17_3, C18_3, C19_3, C20_3, C21_3,
 C22_3, C23_3, C24_3, C25_3, C26_3, C27_3, C28_3, C29_3, C30_3, C31_3, C32_3,
 C33_3, C34_3, C35_3, C36_3, C37_3, C38_3, C39_3, C40_3, C41_3, C42_3, N3_3,
 N4_3, N5_3, N6_3
 N1_4, C1_4, C2_4, C3_4, C4_4, C5_4, N2_4, C6_4, C7_4, C8_4, C9_4, C10_4,
 C11_4, C12_4, C13_4, C14_4, C15_4, C16_4, C17_4, C18_4, C19_4, C20_4, C21_4,
 C22_4, C23_4, C24_4, C25_4, C26_4, C27_4, C28_4, C29_4, C30_4, C31_4, C32_4,
 C33_4, C34_4, C35_4, C36_4, C37_4, C38_4, C39_4, C40_4, C41_4, C42_4, N3_4,
 N4_4, N5_4, N6_4
 N1_5, C1_5, C2_5, C3_5, C4_5, C5_5, N2_5, C6_5, C7_5, C8_5, C9_5, C10_5,
 C11_5, C12_5, C13_5, C14_5, C15_5, C16_5, C17_5, C18_5, C19_5, C20_5, C21_5,
 C22_5, C23_5, C24_5, C25_5, C26_5, C27_5, C28_5, C29_5, C30_5, C31_5, C32_5,
 C33_5, C34_5, C35_5, C36_5, C37_5, C38_5, C39_5, C40_5, C41_5, C42_5, N3_5,
 N4_5, N5_5, N6_5
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{C1_13, C2_13, C3_13, C4_13, C5_13, C6_13, P1_13}
{C1_14, C2_14, C3_14, C4_14, C5_14, C6_14, P1_14}
{C1_15, C2_15, C3_15, C4_15, C5_15, C6_15, P1_15}
{C1_16, C2_16, C3_16, C4_16, C5_16, C6_16, P1_16}
{C1_17, C2_17, C3_17, C4_17, C5_17, C6_17, P1_17}
{C1_18, C2_18, C3_18, C4_18, C5_18, C6_18, P1_18}
{C1_19, C2_19, C3_19, C4_19, C5_19, C6_19, P1_19}
{C1_20, C2_20, C3_20, C4_20, C5_20, C6_20, P1_20}
{C1_21, C2_21, C3_21, C4_21, C5_21, C6_21, P1_21}
{C1_22, C2_22, C3_22, C4_22, C5_22, C6_22, P1_22}
{C1_23, C2_23, C3_23, C4_23, C5_23, C6_23, P1_23}
{C1_24, C2_24, C3_24, C4_24, C5_24, C6_24, P1_24}
{C1_25, C2_25, C3_25, C4_25, C5_25, C6_25, P1_25}
{C1_26, C2_26, C3_26, C4_26, C5_26, C6_26, P1_26}
{C1_27, C2_27, C3_27, C4_27, C5_27, C6_27, P1_27}
{C1_28, C2_28, C3_28, C4_28, C5_28, C6_28, P1_28}
{C1_29, C2_29, C3_29, C4_29, C5_29, C6_29, P1_29}
as
{C1_8, C2_8, C3_8, C4_8, C5_8, C6_8, P1_8} sigma for 1-2: 0.02 1-3: 0.04
{N1_3, C1_3, C2_3, C3_3, C4_3, C5_3, N2_3, C6_3, C7_3, C8_3, C9_3, C10_3,
C11_3, C12_3, C13_3, C14_3, C15_3, C16_3, C17_3, C18_3, C19_3, C20_3, C21_3,
C22_3, C23_3, C24_3, C25_3, C26_3, C27_3, C28_3, C29_3, C30_3, C31_3, C32_3,
C33_3, C34_3, C35_3, C36_3, C37_3, C38_3, C39_3, C40_3, C41_3, C42_3, N3_3,
N4_3, N5_3, N6_3}
{N1_4, C1_4, C2_4, C3_4, C4_4, C5_4, N2_4, C6_4, C7_4, C8_4, C9_4, C10_4,
C11_4, C12_4, C13_4, C14_4, C15_4, C16_4, C17_4, C18_4, C19_4, C20_4, C21_4,
C22_4, C23_4, C24_4, C25_4, C26_4, C27_4, C28_4, C29_4, C30_4, C31_4, C32_4,
C33_4, C34_4, C35_4, C36_4, C37_4, C38_4, C39_4, C40_4, C41_4, C42_4, N3_4,
N4_4, N5_4, N6_4}
{N1_5, C1_5, C2_5, C3_5, C4_5, C5_5, N2_5, C6_5, C7_5, C8_5, C9_5, C10_5,
C11_5, C12_5, C13_5, C14_5, C15_5, C16_5, C17_5, C18_5, C19_5, C20_5, C21_5,
C22_5, C23_5, C24_5, C25_5, C26_5, C27_5, C28_5, C29_5, C30_5, C31_5, C32_5,
C33_5, C34_5, C35_5, C36_5, C37_5, C38_5, C39_5, C40_5, C41_5, C42_5, N3_5,
N4_5, N5_5, N6_5}
as
{N1_2, C1_2, C2_2, C3_2, C4_2, C5_2, N2_2, C6_2, C7_2, C8_2, C9_2, C10_2,
C11_2, C12_2, C13_2, C14_2, C15_2, C16_2, C17_2, C18_2, C19_2, C20_2, C21_2,
C22_2, C23_2, C24_2, C25_2, C26_2, C27_2, C28_2, C29_2, C30_2, C31_2, C32_2,
C33_2, C34_2, C35_2, C36_2, C37_2, C38_2, C39_2, C40_2, C41_2, C42_2, N3_2,
N4_2, N5_2, N6_2} sigma for 1-2: 0.01 1-3: 0.04
7. Others
 Sof(Pt4A)=1-FVAR(1)
 Sof(Pt4)=FVAR(1)
 Fixed Sof: Pt7(0.5) Pt7A(0.5) C1(0.5) N1(0.5) C2(0.5) C3(0.5) H3(0.5) C4(0.5)
 C5(0.5) H5(0.5) C6(0.5) C7(0.5) C8(0.5) C9(0.5) H9(0.5) C10(0.5) N2(0.5)
 C11(0.5) C12(0.5) H12(0.5) C13(0.5) C14(0.5) O1(0.5) O2(0.5) O3(0.5) O4(0.5)
 O5(0.5) O6(0.5) O7(0.5) O8(0.5) C1(0.5) H1A(0.5) H1B(0.5) C2(0.5) H2A(0.5)
 H2B(0.5) H2C(0.5) C3(0.5) H3A(0.5) H3B(0.5) C4(0.5) H4A(0.5) H4B(0.5) H4C(0.5)
 C5(0.5) H5A(0.5) H5B(0.5) C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5) P1(0.5) C1(0.5)
 H1A(0.5) H1B(0.5) C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5) C3(0.5) H3A(0.5) H3B(0.5)
 C4(0.5) H4A(0.5) H4B(0.5) H4C(0.5) C5(0.5) H5A(0.5) H5B(0.5) C6(0.5) H6A(0.5)
 H6B(0.5) H6C(0.5) P1(0.5) C1(0.5) H1A(0.5) H1B(0.5) C2(0.5) H2A(0.5) H2B(0.5)
 H2C(0.5) C3(0.5) H3A(0.5) H3B(0.5) C4(0.5) H4A(0.5) H4B(0.5) H4C(0.5) C5(0.5)
 H5A(0.5) H5B(0.5) C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5) P1(0.5) C1(0.5) H1A(0.5)
 H1B(0.5) C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5) C3(0.5) H3A(0.5) H3B(0.5) C4(0.5)
 H4A(0.5) H4B(0.5) H4C(0.5) C5(0.5) H5A(0.5) H5B(0.5) C6(0.5) H6A(0.5) H6B(0.5)
 H6C(0.5) P1(0.5)
 Fixed X: P1(0.82081)
 Fixed Y: P1(0.120501)
 Fixed Z: P1(0.345301)
8.a Riding coordinates:
 C3(H3), C6(H6A,H6B,H6C), N1(H3,H5)
8.b Free rotating group:
 C23(C24,C25)
8.c Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B),
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B)
8.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12),
 C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21),
  C22(H22), C25(H25), C26(H26), C30(H30), C31(H31), C35(H35), C36(H36),
 C40(H40), C41(H41), C1(H1), C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9),
 C10(H10), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19),
  C20(H20), C21(H21), C22(H22), C25(H25), C26(H26), C30(H30), C31(H31),
 C35(H35), C36(H36), C40(H40), C41(H41), C1(H1), C2(H2), C4(H4), C5(H5), C6(H6),
  C7(H7), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26), C30(H30),
  C31(H31), C35(H35), C36(H36), C40(H40), C41(H41), C1(H1), C2(H2), C4(H4),
 C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25),
  C26(H26), C30(H30), C31(H31), C35(H35), C36(H36), C40(H40), C41(H41), C5(H5),
 C9(H9), C12(H12), C3(H3), C5(H5), C9(H9), C12(H12)
8.e Fitted hexagon refined as free rotating group:
 N1(C1,C2,C3,C4,C5), N2(C6,C7,C8,C9,C10), C11(C12,C13,C14,C15,C16), C17(C18,
 C19,C20,C21,C22), N1(C1,C2,C3,C4,C5), N2(C6,C7,C8,C9,C10), C11(C12,C13,C14,C15,
 C16), C17(C18,C19,C20,C21,C22), N1(C1,C2,C3,C4,C5), N2(C6,C7,C8,C9,C10),
 C11(C12,C13,C14,C15,C16), C17(C18,C19,C20,C21,C22), N1(C1,C2,C3,C4,C5), N2(C6,
 C7,C8,C9,C10), C11(C12,C13,C14,C15,C16), C17(C18,C19,C20,C21,C22), N1(C2,C3,C4,
 C5,C6), C8(C9,C10,N2,C11,C12), N1(C2,C3,C4,C5,C6), C8(C9,C10,N2,C11,C12),
 C2(C3,C4,C5,C6,N1)
8.f Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,
 H6B,H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C),
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,
 H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C),
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,
 H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C),
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,
 H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C),
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,
 H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C),
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,
 H6C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Pt01 Pt 0.706140 0.116610 0.048030 0.1401(4) Uani 1 1 d . U . . .
Pt02 Pt 0.663760 0.268810 0.169470 0.1440(4) Uani 1 1 d . U . . .
Pt03 Pt 0.581660 -0.023400 0.829960 0.1518(4) Uani 1 1 d . U . . .
Pt4 Pt 0.818260 0.262620 0.339170 0.1611(16) Uani 0.344(3) 1 d . U P A 1
Pt4A Pt 0.829020 0.262790 0.332200 0.1253(8) Uani 0.656(3) 1 d . U P A 2
Pt05 Pt 0.456230 0.128230 0.608110 0.1740(5) Uani 1 1 d . U . . .
Pt06 Pt 0.918560 -0.015040 -0.338370 0.1874(6) Uani 1 1 d . U . . .
Pt7 Pt 1.043340 0.133520 -0.048060 0.1145(7) Uani 0.5 1 d . U P B -1
Pt7A Pt 0.957420 0.124680 -0.406960 0.1951(12) Uani 0.5 1 d D U P B -1
Pt08 Pt 0.790550 0.123700 0.408600 0.2793(11) Uani 1 1 d D U . . .
N1_2 N 0.760117 0.130431 0.447383 0.170(3) Uani 1 1 d DG U . . .
C1_2 C 0.758348 0.148511 0.479319 0.163(3) Uani 1 1 d DG U . . .
H1_2 H 0.771254 0.155564 0.494823 0.196 Uiso 1 1 calc R U . . .
C2_2 C 0.737695 0.156270 0.488571 0.160(3) Uani 1 1 d DG U . . .
H2_2 H 0.736486 0.168626 0.510398 0.192 Uiso 1 1 calc R U . . .
C3_2 C 0.718810 0.145949 0.465887 0.149(3) Uani 1 1 d DG U . . .
C4_2 C 0.720579 0.127869 0.433951 0.156(3) Uani 1 1 d DG U . . .
H4_2 H 0.707672 0.120816 0.418447 0.187 Uiso 1 1 calc R U . . .
C5_2 C 0.741232 0.120110 0.424698 0.161(3) Uani 1 1 d DG U . . .
H5_2 H 0.742441 0.107754 0.402871 0.193 Uiso 1 1 calc R U . . .
N2_2 N 0.657768 0.250848 0.241752 0.134(3) Uani 1 1 d DG U . . .
C6_2 C 0.647020 0.231920 0.231409 0.135(3) Uani 1 1 d DG U . . .
H6_2 H 0.641059 0.228447 0.193723 0.162 Uiso 1 1 calc R U . . .
C7_2 C 0.644994 0.218071 0.276207 0.134(3) Uani 1 1 d DG U . . .
H7_2 H 0.637648 0.205134 0.269138 0.160 Uiso 1 1 calc R U . . .
C8_2 C 0.653716 0.223152 0.331348 0.131(3) Uani 1 1 d DG U . . .
C9_2 C 0.664464 0.242080 0.341691 0.134(3) Uani 1 1 d DG U . . .
H9_2 H 0.670425 0.245553 0.379377 0.161 Uiso 1 1 calc R U . . .
C10_2 C 0.666490 0.255929 0.296893 0.134(3) Uani 1 1 d DG U . . .
H10_2 H 0.673836 0.268866 0.303962 0.161 Uiso 1 1 calc R U . . .
C11_2 C 0.566129 0.193272 0.488172 0.168(3) Uani 1 1 d DG U . . .
C12_2 C 0.549929 0.181978 0.455926 0.189(4) Uani 1 1 d DG U . . .
H12_2 H 0.553933 0.170697 0.432784 0.227 Uiso 1 1 calc R U . . .
C13_2 C 0.527870 0.187191 0.457540 0.187(4) Uani 1 1 d DG U . . .
H13_2 H 0.516798 0.179472 0.435501 0.225 Uiso 1 1 calc R U . . .
C14_2 C 0.522011 0.203698 0.491401 0.190(4) Uani 1 1 d DG U . . .
H14_2 H 0.506935 0.207260 0.492503 0.228 Uiso 1 1 calc R U . . .
C15_2 C 0.538211 0.214992 0.523647 0.188(4) Uani 1 1 d DG U . . .
H15_2 H 0.534207 0.226273 0.546790 0.226 Uiso 1 1 calc R U . . .
C16_2 C 0.560270 0.209779 0.522034 0.186(4) Uani 1 1 d DG U . . .
H16_2 H 0.571342 0.217498 0.544073 0.223 Uiso 1 1 calc R U . . .
C17_2 C 0.637886 0.125359 0.649981 0.147(3) Uani 1 1 d DG U . . .
C18_2 C 0.624353 0.107892 0.648751 0.152(4) Uani 1 1 d DG U . . .
H18_2 H 0.616279 0.103785 0.613946 0.182 Uiso 1 1 calc R U . . .
C19_2 C 0.622634 0.096433 0.698444 0.157(4) Uani 1 1 d DG U . . .
H19_2 H 0.613385 0.084495 0.697602 0.189 Uiso 1 1 calc R U . . .
C20_2 C 0.634447 0.102441 0.749368 0.156(4) Uani 1 1 d DG U . . .
H20_2 H 0.633272 0.094609 0.783331 0.187 Uiso 1 1 calc R U . . .
C21_2 C 0.647980 0.119908 0.750600 0.155(4) Uani 1 1 d DG U . . .
H21_2 H 0.656054 0.124014 0.785404 0.186 Uiso 1 1 calc R U . . .
C22_2 C 0.649699 0.131367 0.700907 0.154(4) Uani 1 1 d DG U . . .
H22_2 H 0.658948 0.143305 0.701749 0.185 Uiso 1 1 calc R U . . .
C23_2 C 0.696460 0.154580 0.473080 0.138(3) Uani 1 1 d DG U . . .
C24_2 C 0.690040 0.171600 0.438910 0.131(3) Uani 1 1 d DG U . . .
C25_2 C 0.702520 0.182070 0.399130 0.127(3) Uani 1 1 d DG U . . .
H25_2 H 0.717215 0.178831 0.391976 0.152 Uiso 1 1 calc R U . . .
C26_2 C 0.690240 0.197050 0.373820 0.127(3) Uani 1 1 d D U . . .
H26_2 H 0.694436 0.206689 0.346067 0.153 Uiso 1 1 calc R U . . .
C27_2 C 0.668860 0.195730 0.397340 0.127(3) Uani 1 1 d D U . . .
C28_2 C 0.651010 0.208180 0.379870 0.127(3) Uani 1 1 d D U . . .
C29_2 C 0.630130 0.207450 0.400910 0.131(3) Uani 1 1 d D U . . .
C30_2 C 0.611250 0.220250 0.380800 0.134(3) Uani 1 1 d D U . . .
H30_2 H 0.610666 0.230993 0.352807 0.160 Uiso 1 1 calc R U . . .
C31_2 C 0.595280 0.213710 0.409730 0.134(3) Uani 1 1 d D U . . .
H31_2 H 0.580626 0.218865 0.404356 0.161 Uiso 1 1 calc R U . . .
C32_2 C 0.602330 0.198010 0.450140 0.138(3) Uani 1 1 d D U . . .
C33_2 C 0.590920 0.188110 0.489680 0.142(3) Uani 1 1 d D U . . .
C34_2 C 0.599060 0.173060 0.527860 0.142(3) Uani 1 1 d D U . . .
C35_2 C 0.586130 0.163030 0.572050 0.140(3) Uani 1 1 d D U . . .
H35_2 H 0.571206 0.165837 0.577867 0.168 Uiso 1 1 calc R U . . .
C36_2 C 0.598620 0.150240 0.599980 0.140(3) Uani 1 1 d D U . . .
H36_2 H 0.594340 0.141589 0.629895 0.168 Uiso 1 1 calc R U . . .
C37_2 C 0.621020 0.150570 0.579580 0.140(3) Uani 1 1 d D U . . .
C38_2 C 0.639120 0.139160 0.596330 0.139(3) Uani 1 1 d D U . . .
C39_2 C 0.658870 0.138200 0.570630 0.139(3) Uani 1 1 d D U . . .
C40_2 C 0.677410 0.125450 0.586190 0.141(3) Uani 1 1 d D U . . .
H40_2 H 0.678037 0.115122 0.615339 0.169 Uiso 1 1 calc R U . . .
C41_2 C 0.693200 0.129650 0.555890 0.140(3) Uani 1 1 d D U . . .
H41_2 H 0.707410 0.123452 0.558714 0.168 Uiso 1 1 calc R U . . .
C42_2 C 0.685150 0.145450 0.517230 0.139(3) Uani 1 1 d D U . . .
N3_2 N 0.669760 0.180790 0.436910 0.125(3) Uani 1 1 d D U . . .
N4_2 N 0.624460 0.194610 0.442210 0.132(3) Uani 1 1 d D U . . .
N5_2 N 0.619550 0.164480 0.533800 0.137(3) Uani 1 1 d D U . . .
N6_2 N 0.664200 0.150470 0.526730 0.137(3) Uani 1 1 d D U . . .
N1_3 N 0.588307 -0.002700 0.765252 0.133(3) Uani 1 1 d DG U . . .
C1_3 C 0.577762 -0.004460 0.710288 0.133(3) Uani 1 1 d DG U . . .
H1_3 H 0.568737 -0.016221 0.700297 0.160 Uiso 1 1 calc R U . . .
C2_3 C 0.580422 0.010990 0.669941 0.132(3) Uani 1 1 d DG U . . .
H2_3 H 0.573215 0.009787 0.632376 0.158 Uiso 1 1 calc R U . . .
C3_3 C 0.593626 0.028200 0.684558 0.131(3) Uani 1 1 d DG U . . .
C4_3 C 0.604172 0.029960 0.739522 0.131(3) Uani 1 1 d DG U . . .
H4_3 H 0.613196 0.041722 0.749512 0.157 Uiso 1 1 calc R U . . .
C5_3 C 0.601512 0.014510 0.779869 0.135(3) Uani 1 1 d DG U . . .
H5_3 H 0.608719 0.015713 0.817435 0.162 Uiso 1 1 calc R U . . .
N2_3 N 0.486813 0.121800 0.572890 0.155(3) Uani 1 1 d DG U . . .
C6_3 C 0.505019 0.132218 0.599246 0.154(3) Uani 1 1 d DG U . . .
H6_3 H 0.503029 0.144150 0.622208 0.185 Uiso 1 1 calc R U . . .
C7_3 C 0.526138 0.125178 0.592007 0.152(3) Uani 1 1 d DG U . . .
H7_3 H 0.538581 0.132299 0.610020 0.182 Uiso 1 1 calc R U . . .
C8_3 C 0.529050 0.107720 0.558410 0.147(3) Uani 1 1 d DG U . . .
C9_3 C 0.510844 0.097302 0.532054 0.152(3) Uani 1 1 d DG U . . .
H9_3 H 0.512835 0.085370 0.509092 0.183 Uiso 1 1 calc R U . . .
C10_3 C 0.489726 0.104341 0.539293 0.153(3) Uani 1 1 d DG U . . .
H10_3 H 0.477283 0.097221 0.521279 0.184 Uiso 1 1 calc R U . . .
C11_3 C 0.611791 0.129802 0.377283 0.172(3) Uani 1 1 d DG U . . .
C12_3 C 0.623520 0.148416 0.380642 0.188(4) Uani 1 1 d DG U . . .
H12_3 H 0.629486 0.153548 0.416818 0.225 Uiso 1 1 calc R U . . .
C13_3 C 0.626519 0.159520 0.331069 0.189(4) Uani 1 1 d DG U . . .
H13_3 H 0.634535 0.172242 0.333365 0.227 Uiso 1 1 calc R U . . .
C14_3 C 0.617790 0.152011 0.278138 0.188(4) Uani 1 1 d DG U . . .
H14_3 H 0.619840 0.159601 0.244257 0.226 Uiso 1 1 calc R U . . .
C15_3 C 0.606061 0.133398 0.274778 0.188(4) Uani 1 1 d DG U . . .
H15_3 H 0.600094 0.128266 0.238602 0.225 Uiso 1 1 calc R U . . .
C16_3 C 0.603061 0.122293 0.324350 0.187(4) Uani 1 1 d DG U . . .
H16_3 H 0.595045 0.109571 0.322054 0.224 Uiso 1 1 calc R U . . .
C17_3 C 0.682239 0.060758 0.535109 0.175(3) Uani 1 1 d DG U . . .
C18_3 C 0.698313 0.072703 0.565763 0.185(4) Uani 1 1 d DG U . . .
H18_3 H 0.694191 0.084423 0.587116 0.223 Uiso 1 1 calc R U . . .
C19_3 C 0.720419 0.067500 0.565174 0.188(4) Uani 1 1 d DG U . . .
H19_3 H 0.731405 0.075664 0.586125 0.225 Uiso 1 1 calc R U . . .
C20_3 C 0.726451 0.050352 0.533931 0.190(4) Uani 1 1 d DG U . . .
H20_3 H 0.741559 0.046797 0.533529 0.227 Uiso 1 1 calc R U . . .
C21_3 C 0.710377 0.038407 0.503277 0.190(4) Uani 1 1 d DG U . . .
H21_3 H 0.714499 0.026687 0.481924 0.228 Uiso 1 1 calc R U . . .
C22_3 C 0.688271 0.043610 0.503865 0.190(4) Uani 1 1 d DG U . . .
H22_3 H 0.677285 0.035445 0.482915 0.228 Uiso 1 1 calc R U . . .
C23_3 C 0.597120 0.044710 0.641310 0.128(3) Uani 1 1 d D U . . .
C24_3 C 0.579270 0.057910 0.626750 0.130(3) Uani 1 1 d D U . . .
C25_3 C 0.558450 0.057640 0.650680 0.132(3) Uani 1 1 d D U . . .
H25_3 H 0.554200 0.048046 0.678480 0.158 Uiso 1 1 calc R U . . .
C26_3 C 0.546130 0.073070 0.627390 0.133(3) Uani 1 1 d D U . . .
H26_3 H 0.531736 0.076871 0.635901 0.160 Uiso 1 1 calc R U . . .
C27_3 C 0.559310 0.083030 0.585850 0.135(3) Uani 1 1 d D U . . .
C28_3 C 0.552020 0.099950 0.552540 0.140(3) Uani 1 1 d D U . . .
C29_3 C 0.563250 0.109010 0.508780 0.144(3) Uani 1 1 d D U . . .
C30_3 C 0.554640 0.125230 0.469550 0.148(3) Uani 1 1 d D U . . .
H30_3 H 0.540676 0.131882 0.467957 0.178 Uiso 1 1 calc R U . . .
C31_3 C 0.570540 0.128550 0.436980 0.149(3) Uani 1 1 d D U . . .
H31_3 H 0.569291 0.137889 0.405396 0.179 Uiso 1 1 calc R U . . .
C32_3 C 0.589790 0.116880 0.453350 0.150(3) Uani 1 1 d D U . . .
C33_3 C 0.609490 0.115820 0.430020 0.150(3) Uani 1 1 d D U . . .
C34_3 C 0.628090 0.105300 0.451800 0.151(3) Uani 1 1 d D U . . .
C35_3 C 0.649420 0.104520 0.424590 0.150(3) Uani 1 1 d D U . . .
H35_3 H 0.652550 0.111574 0.390666 0.180 Uiso 1 1 calc R U . . .
C36_3 C 0.662400 0.092840 0.454820 0.152(3) Uani 1 1 d D U . . .
H36_3 H 0.677561 0.091026 0.449801 0.183 Uiso 1 1 calc R U . . .
C37_3 C 0.650580 0.082230 0.499730 0.150(3) Uani 1 1 d D U . . .
C38_3 C 0.657640 0.066720 0.536040 0.148(3) Uani 1 1 d D U . . .
C39_3 C 0.645630 0.056430 0.575280 0.139(3) Uani 1 1 d D U . . .
C40_3 C 0.652380 0.039290 0.610300 0.138(3) Uani 1 1 d D U . . .
H40_3 H 0.666911 0.033795 0.614324 0.166 Uiso 1 1 calc R U . . .
C41_3 C 0.636530 0.032180 0.635690 0.136(3) Uani 1 1 d D U . . .
H41_3 H 0.636755 0.020271 0.659831 0.163 Uiso 1 1 calc R U . . .
C42_3 C 0.618330 0.045610 0.620790 0.133(3) Uani 1 1 d D U . . .
N3_3 N 0.579000 0.073800 0.588050 0.129(3) Uani 1 1 d D U . . .
N4_3 N 0.584030 0.104630 0.499270 0.144(3) Uani 1 1 d D U . . .
N5_3 N 0.629380 0.090400 0.493310 0.147(3) Uani 1 1 d D U . . .
N6_3 N 0.624050 0.060140 0.582460 0.135(3) Uani 1 1 d D U . . .
N1_4 N 1.011772 0.122072 -0.037707 0.149(3) Uani 1 1 d DG U . . .
C1_4 C 0.993840 0.133159 -0.063034 0.152(3) Uani 1 1 d DG U . . .
H1_4 H 0.996089 0.145950 -0.082073 0.183 Uiso 1 1 calc R U . . .
C2_4 C 0.972616 0.125533 -0.060503 0.150(3) Uani 1 1 d DG U . . .
H2_4 H 0.960361 0.133110 -0.077813 0.180 Uiso 1 1 calc R U . . .
C3_4 C 0.969325 0.106818 -0.032646 0.146(3) Uani 1 1 d DG U . . .
C4_4 C 0.987257 0.095731 -0.007320 0.150(3) Uani 1 1 d DG U . . .
H4_4 H 0.985007 0.082940 0.011719 0.180 Uiso 1 1 calc R U . . .
C5_4 C 1.008480 0.103357 -0.009850 0.154(3) Uani 1 1 d DG U . . .
H5_4 H 1.020736 0.095779 0.007460 0.185 Uiso 1 1 calc R U . . .
N2_4 N 0.910280 0.001862 -0.267098 0.157(3) Uani 1 1 d DG U . . .
C6_4 C 0.918900 -0.002812 -0.211593 0.154(3) Uani 1 1 d DG U . . .
H6_4 H 0.926084 -0.015775 -0.203614 0.185 Uiso 1 1 calc R U . . .
C7_4 C 0.917010 0.011478 -0.167762 0.150(3) Uani 1 1 d DG U . . .
H7_4 H 0.922901 0.008283 -0.129826 0.180 Uiso 1 1 calc R U . . .
C8_4 C 0.906500 0.030444 -0.179435 0.145(3) Uani 1 1 d DG U . . .
C9_4 C 0.897880 0.035119 -0.234940 0.150(3) Uani 1 1 d DG U . . .
H9_4 H 0.890696 0.048081 -0.242919 0.180 Uiso 1 1 calc R U . . .
C10_4 C 0.899770 0.020828 -0.278772 0.153(3) Uani 1 1 d DG U . . .
H10_4 H 0.893879 0.024024 -0.316707 0.183 Uiso 1 1 calc R U . . .
C11_4 C 0.816070 0.058258 -0.031581 0.171(3) Uani 1 1 d DG U . . .
C12_4 C 0.807486 0.045211 0.008113 0.186(4) Uani 1 1 d DG U . . .
H12_4 H 0.816800 0.039885 0.039498 0.223 Uiso 1 1 calc R U . . .
C13_4 C 0.785275 0.039958 0.001886 0.185(4) Uani 1 1 d DG U . . .
H13_4 H 0.779409 0.031041 0.029015 0.222 Uiso 1 1 calc R U . . .
C14_4 C 0.771647 0.047752 -0.044036 0.186(4) Uani 1 1 d DG U . . .
H14_4 H 0.756467 0.044161 -0.048292 0.223 Uiso 1 1 calc R U . . .
C15_4 C 0.780231 0.060798 -0.083730 0.184(4) Uani 1 1 d DG U . . .
H15_4 H 0.770917 0.066125 -0.115115 0.221 Uiso 1 1 calc R U . . .
C16_4 C 0.802442 0.066052 -0.077503 0.182(4) Uani 1 1 d DG U . . .
H16_4 H 0.808308 0.074969 -0.104632 0.219 Uiso 1 1 calc R U . . .
C17_4 C 0.885360 0.124429 0.143821 0.153(3) Uani 1 1 d DG U . . .
C18_4 C 0.897289 0.118250 0.194418 0.161(4) Uani 1 1 d DG U . . .
H18_4 H 0.906809 0.106519 0.194591 0.193 Uiso 1 1 calc R U . . .
C19_4 C 0.895289 0.129234 0.244762 0.163(4) Uani 1 1 d DG U . . .
H19_4 H 0.903443 0.125011 0.279343 0.195 Uiso 1 1 calc R U . . .
C20_4 C 0.881361 0.146398 0.244509 0.162(4) Uani 1 1 d DG U . . .
H20_4 H 0.879994 0.153905 0.278917 0.195 Uiso 1 1 calc R U . . .
C21_4 C 0.869431 0.152577 0.193912 0.163(4) Uani 1 1 d DG U . . .
H21_4 H 0.859911 0.164308 0.193740 0.196 Uiso 1 1 calc R U . . .
C22_4 C 0.871431 0.141593 0.143568 0.160(4) Uani 1 1 d DG U . . .
H22_4 H 0.863277 0.145816 0.108987 0.192 Uiso 1 1 calc R U . . .
C23_4 C 0.946710 0.098120 -0.029540 0.141(3) Uani 1 1 d D U . . .
C24_4 C 0.940970 0.081100 -0.064690 0.139(3) Uani 1 1 d D U . . .
C25_4 C 0.954020 0.071680 -0.105170 0.140(3) Uani 1 1 d D U . . .
H25_4 H 0.968710 0.075403 -0.111137 0.168 Uiso 1 1 calc R U . . .
C26_4 C 0.942200 0.056860 -0.133050 0.139(3) Uani 1 1 d D U . . .
H26_4 H 0.946858 0.047707 -0.161393 0.167 Uiso 1 1 calc R U . . .
C27_4 C 0.920500 0.057520 -0.111130 0.138(3) Uani 1 1 d D U . . .
C28_4 C 0.902890 0.045150 -0.131390 0.138(3) Uani 1 1 d D U . . .
C29_4 C 0.881420 0.046000 -0.113560 0.139(3) Uani 1 1 d D U . . .
C30_4 C 0.862900 0.033110 -0.135510 0.140(3) Uani 1 1 d D U . . .
H30_4 H 0.862694 0.022675 -0.164308 0.168 Uiso 1 1 calc R U . . .
C31_4 C 0.846660 0.039020 -0.107000 0.141(3) Uani 1 1 d D U . . .
H31_4 H 0.832183 0.033480 -0.113156 0.170 Uiso 1 1 calc R U . . .
C32_4 C 0.852900 0.054590 -0.065840 0.143(3) Uani 1 1 d D U . . .
C33_4 C 0.840650 0.064430 -0.028100 0.146(3) Uani 1 1 d D U . . .
C34_4 C 0.848020 0.079160 0.011710 0.142(3) Uani 1 1 d D U . . .
C35_4 C 0.834510 0.087970 0.056460 0.141(3) Uani 1 1 d D U . . .
H35_4 H 0.819362 0.085320 0.059884 0.170 Uiso 1 1 calc R U . . .
C36_4 C 0.846970 0.099490 0.088500 0.142(3) Uani 1 1 d D U . . .
H36_4 H 0.842593 0.106809 0.120777 0.170 Uiso 1 1 calc R U . . .
C37_4 C 0.869610 0.100120 0.068960 0.143(3) Uani 1 1 d D U . . .
C38_4 C 0.887460 0.111450 0.088890 0.142(3) Uani 1 1 d D U . . .
C39_4 C 0.907350 0.113520 0.064220 0.142(3) Uani 1 1 d D U . . .
C40_4 C 0.925870 0.125750 0.083780 0.142(3) Uani 1 1 d D U . . .
H40_4 H 0.926688 0.134466 0.116667 0.171 Uiso 1 1 calc R U . . .
C41_4 C 0.941270 0.123470 0.051280 0.141(3) Uani 1 1 d D U . . .
H41_4 H 0.954497 0.131328 0.051915 0.169 Uiso 1 1 calc R U . . .
C42_4 C 0.934610 0.106750 0.013840 0.142(3) Uani 1 1 d D U . . .
N3_4 N 0.920700 0.071900 -0.070360 0.136(3) Uani 1 1 d D U . . .
N4_4 N 0.875140 0.058400 -0.072100 0.139(3) Uani 1 1 d D U . . .
N5_4 N 0.868610 0.087510 0.020620 0.139(3) Uani 1 1 d D U . . .
N6_4 N 0.913280 0.101870 0.019710 0.140(3) Uani 1 1 d D U . . .
N1_5 N 0.835542 0.245399 0.265119 0.136(3) Uani 1 1 d DG U . . .
C1_5 C 0.828367 0.250350 0.208735 0.135(3) Uani 1 1 d DG U . . .
H1_5 H 0.821245 0.263294 0.200062 0.162 Uiso 1 1 calc R U . . .
C2_5 C 0.831611 0.236361 0.165041 0.134(3) Uani 1 1 d DG U . . .
H2_5 H 0.826707 0.239744 0.126505 0.161 Uiso 1 1 calc R U . . .
C3_5 C 0.842031 0.217421 0.177731 0.129(3) Uani 1 1 d DG U . . .
C4_5 C 0.849207 0.212470 0.234114 0.132(3) Uani 1 1 d DG U . . .
H4_5 H 0.856329 0.199526 0.242787 0.158 Uiso 1 1 calc R U . . .
C5_5 C 0.845962 0.226459 0.277809 0.135(3) Uani 1 1 d DG U . . .
H5_5 H 0.850866 0.223075 0.316345 0.162 Uiso 1 1 calc R U . . .
N2_5 N 0.738159 0.124981 0.033049 0.133(3) Uani 1 1 d DG U . . .
C6_5 C 0.755921 0.113810 0.058961 0.135(3) Uani 1 1 d DG U . . .
H6_5 H 0.753509 0.100995 0.077709 0.162 Uiso 1 1 calc R U . . .
C7_5 C 0.777214 0.121389 0.057442 0.135(3) Uani 1 1 d DG U . . .
H7_5 H 0.789354 0.113754 0.075152 0.161 Uiso 1 1 calc R U . . .
C8_5 C 0.780745 0.140139 0.030011 0.133(3) Uani 1 1 d DG U . . .
C9_5 C 0.762982 0.151310 0.004099 0.134(3) Uani 1 1 d DG U . . .
H9_5 H 0.765395 0.164125 -0.014649 0.161 Uiso 1 1 calc R U . . .
C10_5 C 0.741689 0.143731 0.005618 0.134(3) Uani 1 1 d DG U . . .
H10_5 H 0.729549 0.151366 -0.012092 0.161 Uiso 1 1 calc R U . . .
C11_5 C 0.866801 0.122439 -0.141237 0.151(3) Uani 1 1 d DG U . . .
C12_5 C 0.881139 0.105582 -0.140979 0.159(4) Uani 1 1 d DG U . . .
H12_5 H 0.889312 0.101448 -0.106341 0.191 Uiso 1 1 calc R U . . .
C13_5 C 0.883517 0.094773 -0.191402 0.161(4) Uani 1 1 d DG U . . .
H13_5 H 0.893316 0.083252 -0.191226 0.193 Uiso 1 1 calc R U . . .
C14_5 C 0.871559 0.100821 -0.242083 0.160(4) Uani 1 1 d DG U . . .
H14_5 H 0.873185 0.093433 -0.276544 0.192 Uiso 1 1 calc R U . . .
C15_5 C 0.857222 0.117678 -0.242341 0.159(4) Uani 1 1 d DG U . . .
H15_5 H 0.849049 0.121812 -0.276979 0.191 Uiso 1 1 calc R U . . .
C16_5 C 0.854843 0.128487 -0.191919 0.156(4) Uani 1 1 d DG U . . .
H16_5 H 0.845044 0.140008 -0.192095 0.187 Uiso 1 1 calc R U . . .
C17_5 C 0.933930 0.189700 0.035249 0.163(3) Uani 1 1 d DG U . . .
C18_5 C 0.948554 0.180159 0.076222 0.175(4) Uani 1 1 d DG U . . .
H18_5 H 0.943470 0.169679 0.100407 0.210 Uiso 1 1 calc R U . . .
C19_5 C 0.970618 0.185950 0.081808 0.178(4) Uani 1 1 d DG U . . .
H19_5 H 0.980613 0.179428 0.109811 0.213 Uiso 1 1 calc R U . . .
C20_5 C 0.978057 0.201283 0.046421 0.179(4) Uani 1 1 d DG U . . .
H20_5 H 0.993136 0.205241 0.050239 0.215 Uiso 1 1 calc R U . . .
C21_5 C 0.963433 0.210825 0.005448 0.180(4) Uani 1 1 d DG U . . .
H21_5 H 0.968517 0.221304 -0.018737 0.216 Uiso 1 1 calc R U . . .
C22_5 C 0.941369 0.205034 -0.000138 0.180(4) Uani 1 1 d DG U . . .
H22_5 H 0.931374 0.211555 -0.028142 0.216 Uiso 1 1 calc R U . . .
C23_5 C 0.846270 0.202490 0.131180 0.126(3) Uani 1 1 d D U . . .
C24_5 C 0.828490 0.189980 0.111160 0.126(3) Uani 1 1 d D U . . .
C25_5 C 0.806790 0.190240 0.129660 0.128(3) Uani 1 1 d D U . . .
H25_5 H 0.801371 0.200060 0.155227 0.153 Uiso 1 1 calc R U . . .
C26_5 C 0.795530 0.174420 0.105000 0.128(3) Uani 1 1 d D U . . .
H26_5 H 0.781065 0.170127 0.111516 0.154 Uiso 1 1 calc R U . . .
C27_5 C 0.809930 0.164930 0.065720 0.127(3) Uani 1 1 d D U . . .
C28_5 C 0.803640 0.148820 0.028570 0.129(3) Uani 1 1 d D U . . .
C29_5 C 0.816650 0.139970 -0.011790 0.131(3) Uani 1 1 d D U . . .
C30_5 C 0.809310 0.123530 -0.051900 0.133(3) Uani 1 1 d D U . . .
H30_5 H 0.795520 0.116528 -0.055405 0.159 Uiso 1 1 calc R U . . .
C31_5 C 0.825980 0.120610 -0.081910 0.135(3) Uani 1 1 d D U . . .
H31_5 H 0.825888 0.110865 -0.112441 0.162 Uiso 1 1 calc R U . . .
C32_5 C 0.844290 0.133500 -0.064250 0.134(3) Uani 1 1 d D U . . .
C33_5 C 0.864050 0.135600 -0.087170 0.135(3) Uani 1 1 d D U . . .
C34_5 C 0.881590 0.147390 -0.064170 0.134(3) Uani 1 1 d D U . . .
C35_5 C 0.904070 0.148250 -0.085480 0.135(3) Uani 1 1 d D U . . .
H35_5 H 0.908662 0.140664 -0.117059 0.162 Uiso 1 1 calc R U . . .
C36_5 C 0.915780 0.160740 -0.054340 0.137(3) Uani 1 1 d D U . . .
H36_5 H 0.930545 0.164408 -0.059648 0.164 Uiso 1 1 calc R U . . .
C37_5 C 0.902990 0.168940 -0.007760 0.137(3) Uani 1 1 d D U . . .
C38_5 C 0.909200 0.183780 0.031610 0.137(3) Uani 1 1 d D U . . .
C39_5 C 0.896340 0.193460 0.069820 0.131(3) Uani 1 1 d D U . . .
C40_5 C 0.901940 0.210260 0.107670 0.130(3) Uani 1 1 d D U . . .
H40_5 H 0.915850 0.217044 0.111423 0.156 Uiso 1 1 calc R U . . .
C41_5 C 0.885900 0.215030 0.135870 0.128(3) Uani 1 1 d D U . . .
H41_5 H 0.885879 0.224990 0.165851 0.154 Uiso 1 1 calc R U . . .
C42_5 C 0.867920 0.202380 0.113340 0.127(3) Uani 1 1 d D U . . .
N3_5 N 0.829480 0.174320 0.072240 0.124(3) Uani 1 1 d D U . . .
N4_5 N 0.837780 0.144610 -0.017230 0.131(3) Uani 1 1 d D U . . .
N5_5 N 0.882070 0.160310 -0.017810 0.132(3) Uani 1 1 d D U . . .
N6_5 N 0.874530 0.189400 0.072730 0.127(3) Uani 1 1 d D U . . .
C1_6 C 0.783350 0.253360 0.286700 0.170(3) Uani 1 1 d D U . . .
N1_6 N 0.744450 0.253831 0.245801 0.173(3) Uani 1 1 d DG U . . .
C2_6 C 0.763062 0.242073 0.262902 0.173(3) Uani 1 1 d DG U . . .
C3_6 C 0.762442 0.220487 0.257642 0.174(3) Uani 1 1 d DG U . . .
H3_6 H 0.775160 0.212450 0.269330 0.208 Uiso 1 1 d R U . . .
C4_6 C 0.743210 0.210659 0.235280 0.178(3) Uani 1 1 d DG U . . .
C5_6 C 0.724598 0.222417 0.218178 0.174(3) Uani 1 1 d DG U . . .
H5_6 H 0.711454 0.215700 0.202894 0.209 Uiso 1 1 calc R U . . .
C6_6 C 0.725218 0.244003 0.223438 0.173(3) Uani 1 1 d DG U . . .
C7_6 C 0.705670 0.257440 0.205910 0.171(4) Uani 1 1 d D U . . .
C8_6 C 0.742449 0.187091 0.229207 0.188(3) Uani 1 1 d DG U . . .
C9_6 C 0.730279 0.178189 0.182328 0.188(3) Uani 1 1 d DG U . . .
H9_6 H 0.722515 0.186837 0.154401 0.226 Uiso 1 1 calc R U . . .
C10_6 C 0.729470 0.156633 0.176311 0.188(3) Uani 1 1 d DG U . . .
N2_6 N 0.740831 0.143979 0.217173 0.191(3) Uani 1 1 d DG U . . .
C11_6 C 0.753001 0.152881 0.264052 0.194(3) Uani 1 1 d DG U . . .
C12_6 C 0.753810 0.174437 0.270070 0.188(4) Uani 1 1 d DG U . . .
H12_6 H 0.762128 0.180521 0.302109 0.226 Uiso 1 1 calc R U . . .
C13_6 C 0.765140 0.139220 0.307970 0.198(4) Uani 1 1 d D U . . .
C14_6 C 0.716220 0.147270 0.125480 0.182(4) Uani 1 1 d D U . . .
O1_6 O 0.797480 0.243810 0.319950 0.163(3) Uani 1 1 d D U . . .
O2_6 O 0.783920 0.273330 0.278320 0.179(3) Uani 1 1 d D U . . .
O3_6 O 0.689910 0.249970 0.173500 0.162(3) Uani 1 1 d D U . . .
O4_6 O 0.708200 0.277430 0.214010 0.192(5) Uani 1 1 d D U . . .
O5_6 O 0.708240 0.160430 0.087080 0.212(5) Uani 1 1 d D U . . .
O6_6 O 0.711550 0.128080 0.121640 0.168(3) Uani 1 1 d D U . . .
O7_6 O 0.778240 0.147490 0.347340 0.202(3) Uani 1 1 d D U . . .
O8_6 O 0.762870 0.119460 0.302320 0.225(5) Uani 1 1 d D U . . .
C1_8 C 0.637400 0.312490 0.199930 0.224(6) Uani 1 1 d D U . . .
H1A_8 H 0.644356 0.321341 0.172099 0.269 Uiso 1 1 calc R U . . .
H1B_8 H 0.623135 0.318892 0.207026 0.269 Uiso 1 1 calc R U . . .
C2_8 C 0.652430 0.311460 0.256420 0.254(10) Uani 1 1 d D U . . .
H2A_8 H 0.657780 0.325483 0.266886 0.381 Uiso 1 1 calc R U . . .
H2B_8 H 0.664989 0.302312 0.251521 0.381 Uiso 1 1 calc R U . . .
H2C_8 H 0.644087 0.305930 0.286802 0.381 Uiso 1 1 calc R U . . .
C3_8 C 0.613390 0.273750 0.217850 0.229(6) Uani 1 1 d D U . . .
H3A_8 H 0.609810 0.259384 0.204611 0.275 Uiso 1 1 calc R U . . .
H3B_8 H 0.620954 0.272829 0.257010 0.275 Uiso 1 1 calc R U . . .
C4_8 C 0.591830 0.286100 0.220000 0.277(10) Uani 1 1 d D U . . .
H4A_8 H 0.579807 0.278744 0.197754 0.415 Uiso 1 1 calc R U . . .
H4B_8 H 0.593543 0.300020 0.203759 0.415 Uiso 1 1 calc R U . . .
H4C_8 H 0.588417 0.287397 0.259856 0.415 Uiso 1 1 calc R U . . .
C5_8 C 0.614380 0.290740 0.101970 0.221(6) Uani 1 1 d D U . . .
H5A_8 H 0.601544 0.299271 0.110401 0.265 Uiso 1 1 calc R U . . .
H5B_8 H 0.622628 0.298446 0.074284 0.265 Uiso 1 1 calc R U . . .
C6_8 C 0.606540 0.269610 0.076370 0.249(10) Uani 1 1 d D U . . .
H6A_8 H 0.592500 0.265810 0.090780 0.373 Uiso 1 1 d R U . . .
H6B_8 H 0.617570 0.258890 0.087520 0.373 Uiso 1 1 d R U . . .
H6C_8 H 0.604560 0.270680 0.034520 0.373 Uiso 1 1 d R U . . .
P1_8 P 0.632550 0.285790 0.169360 0.210(3) Uani 1 1 d D U . . .
C1_9 C 0.966000 -0.002570 -0.290970 0.152(4) Uani 0.5 1 d D U P B -1
N1_9 N 1.004439 -0.003571 -0.245561 0.149(4) Uani 0.5 1 d DG U P B -1
C2_9 C 0.986213 0.008373 -0.264850 0.150(4) Uani 0.5 1 d DG U P B -1
C3_9 C 0.987006 0.029957 -0.259639 0.148(4) Uani 0.5 1 d DG U P B -1
H3_9 H 0.974549 0.038120 -0.272823 0.178 Uiso 0.5 1 calc R U P C -1
C4_9 C 1.006024 0.039597 -0.235140 0.149(4) Uani 0.5 1 d DG U P B -1
C5_9 C 1.024250 0.027653 -0.215850 0.147(4) Uani 0.5 1 d DG U P B -1
H5_9 H 1.037248 0.034242 -0.199106 0.177 Uiso 0.5 1 calc R U P D -1
C6_9 C 1.023458 0.006070 -0.221060 0.147(4) Uani 0.5 1 d DG U P B -1
C7_9 C 1.042430 -0.007750 -0.201580 0.143(4) Uani 0.5 1 d D U P B -1
C8_9 C 1.006734 0.063207 -0.229759 0.153(4) Uani 0.5 1 d DG U P B -1
C9_9 C 1.019129 0.072278 -0.183511 0.154(4) Uani 0.5 1 d DG U P B -1
H9_9 H 1.027060 0.063731 -0.155630 0.184 Uiso 0.5 1 calc R U P E -1
C10_9 C 1.019919 0.093854 -0.178057 0.153(4) Uani 0.5 1 d DG U P B -1
N2_9 N 1.008314 0.106359 -0.218851 0.155(4) Uani 0.5 1 d DG U P B -1
C11_9 C 0.995918 0.097289 -0.265099 0.159(4) Uani 0.5 1 d DG U P B -1
C12_9 C 0.995128 0.075713 -0.270554 0.154(4) Uani 0.5 1 d DG U P B -1
H12_9 H 0.986656 0.069514 -0.302162 0.185 Uiso 0.5 1 calc R U P F -1
C13_9 C 0.983570 0.111020 -0.308540 0.163(4) Uani 0.5 1 d D U P B -1
C14_9 C 1.033260 0.103660 -0.128450 0.152(4) Uani 0.5 1 d D U P B -1
O1_9 O 0.951520 0.008000 -0.320850 0.158(4) Uani 0.5 1 d D U P B -1
O2_9 O 0.965960 -0.022630 -0.289530 0.157(6) Uani 0.5 1 d D U P B -1
O3_9 O 1.056050 -0.001980 -0.160890 0.121(5) Uani 0.5 1 d D U P B -1
O4_9 O 1.041520 -0.026900 -0.219930 0.150(6) Uani 0.5 1 d D U P B -1
O5_9 O 1.041100 0.091660 -0.088010 0.158(6) Uani 0.5 1 d D U P B -1
O6_9 O 1.032010 0.123530 -0.122610 0.144(3) Uani 0.5 1 d D U P B -1
O7_9 O 0.985250 0.130860 -0.302170 0.171(6) Uani 0.5 1 d D U P B -1
O8_9 O 0.969930 0.102500 -0.346090 0.172(4) Uani 0.5 1 d D U P B -1
C1_13 C 0.657680 0.277490 0.020530 0.181(5) Uani 1 1 d D U . . .
H1A_13 H 0.642214 0.282074 0.021446 0.217 Uiso 1 1 calc R U . . .
H1B_13 H 0.663894 0.284660 -0.011700 0.217 Uiso 1 1 calc R U . . .
C2_13 C 0.658430 0.253720 0.011590 0.216(9) Uani 1 1 d D U . . .
H2A_13 H 0.652090 0.250308 -0.027239 0.324 Uiso 1 1 calc R U . . .
H2B_13 H 0.649927 0.246791 0.039559 0.324 Uiso 1 1 calc R U . . .
H2C_13 H 0.673750 0.248934 0.016761 0.324 Uiso 1 1 calc R U . . .
C3_13 C 0.675120 0.313730 0.086690 0.179(5) Uani 1 1 d D U . . .
H3A_13 H 0.681154 0.318220 0.050917 0.214 Uiso 1 1 calc R U . . .
H3B_13 H 0.660112 0.319584 0.087075 0.214 Uiso 1 1 calc R U . . .
C4_13 C 0.689950 0.321660 0.138990 0.197(9) Uani 1 1 d D U . . .
H4A_13 H 0.690831 0.336908 0.137625 0.296 Uiso 1 1 calc R U . . .
H4B_13 H 0.704740 0.315731 0.138423 0.296 Uiso 1 1 calc R U . . .
H4C_13 H 0.683714 0.317387 0.174197 0.296 Uiso 1 1 calc R U . . .
C5_13 C 0.702650 0.276740 0.076020 0.181(5) Uani 1 1 d D U . . .
H5A_13 H 0.712891 0.280670 0.109564 0.217 Uiso 1 1 calc R U . . .
H5B_13 H 0.703167 0.261381 0.072118 0.217 Uiso 1 1 calc R U . . .
C6_13 C 0.710690 0.286720 0.022000 0.203(9) Uani 1 1 d D U . . .
H6A_13 H 0.720791 0.277139 0.005077 0.304 Uiso 1 1 calc R U . . .
H6B_13 H 0.718366 0.299800 0.032360 0.304 Uiso 1 1 calc R U . . .
H6C_13 H 0.698029 0.289572 -0.005813 0.304 Uiso 1 1 calc R U . . .
P1_13 P 0.674020 0.284610 0.089860 0.170(2) Uani 1 1 d D U . . .
C1_14 C 0.699190 0.070320 -0.031070 0.192(5) Uani 1 1 d D U . . .
H1A_14 H 0.686137 0.065997 -0.011884 0.230 Uiso 1 1 calc R U . . .
H1B_14 H 0.698229 0.064017 -0.069759 0.230 Uiso 1 1 calc R U . . .
C2_14 C 0.720560 0.063520 0.004270 0.225(9) Uani 1 1 d D U . . .
H2A_14 H 0.723051 0.048617 -0.001750 0.338 Uiso 1 1 calc R U . . .
H2B_14 H 0.719232 0.066103 0.044989 0.338 Uiso 1 1 calc R U . . .
H2C_14 H 0.732994 0.071513 -0.007943 0.338 Uiso 1 1 calc R U . . .
C3_14 C 0.676170 0.106130 -0.086570 0.199(5) Uani 1 1 d D U . . .
H3A_14 H 0.677424 0.098865 -0.123369 0.239 Uiso 1 1 calc R U . . .
H3B_14 H 0.662716 0.100936 -0.070688 0.239 Uiso 1 1 calc R U . . .
C4_14 C 0.673640 0.129680 -0.098100 0.234(10) Uani 1 1 d D U . . .
H4A_14 H 0.660239 0.132203 -0.123623 0.350 Uiso 1 1 calc R U . . .
H4B_14 H 0.686454 0.134791 -0.116196 0.350 Uiso 1 1 calc R U . . .
H4C_14 H 0.672616 0.137037 -0.061820 0.350 Uiso 1 1 calc R U . . .
C5_14 C 0.724420 0.103860 -0.079180 0.191(5) Uani 1 1 d D U . . .
H5A_14 H 0.725234 0.118853 -0.088811 0.229 Uiso 1 1 calc R U . . .
H5B_14 H 0.738288 0.099986 -0.056274 0.229 Uiso 1 1 calc R U . . .
C6_14 C 0.722060 0.090950 -0.134780 0.235(9) Uani 1 1 d D U . . .
H6A_14 H 0.735388 0.092509 -0.154713 0.353 Uiso 1 1 calc R U . . .
H6B_14 H 0.709279 0.095903 -0.159538 0.353 Uiso 1 1 calc R U . . .
H6C_14 H 0.720010 0.076223 -0.125474 0.353 Uiso 1 1 calc R U . . .
P1_14 P 0.700690 0.099380 -0.035780 0.182(2) Uani 1 1 d D U . . .
C1_15 C 0.649740 0.128290 0.046180 0.199(5) Uani 1 1 d D U . . .
H1A_15 H 0.647583 0.126143 0.004224 0.239 Uiso 1 1 calc R U . . .
H1B_15 H 0.635869 0.124499 0.062419 0.239 Uiso 1 1 calc R U . . .
C2_15 C 0.655040 0.151400 0.058940 0.224(9) Uani 1 1 d D U . . .
H2A_15 H 0.641453 0.159619 0.053622 0.335 Uiso 1 1 calc R U . . .
H2B_15 H 0.665476 0.156455 0.032761 0.335 Uiso 1 1 calc R U . . .
H2C_15 H 0.661563 0.152830 0.098556 0.335 Uiso 1 1 calc R U . . .
C3_15 C 0.673940 0.116830 0.155650 0.182(5) Uani 1 1 d D U . . .
H3A_15 H 0.686323 0.108924 0.175616 0.218 Uiso 1 1 calc R U . . .
H3B_15 H 0.677076 0.131863 0.161525 0.218 Uiso 1 1 calc R U . . .
C4_15 C 0.652640 0.111370 0.182840 0.232(9) Uani 1 1 d D U . . .
H4A_15 H 0.653389 0.117069 0.221747 0.349 Uiso 1 1 calc R U . . .
H4B_15 H 0.651006 0.096183 0.184335 0.349 Uiso 1 1 calc R U . . .
H4C_15 H 0.639971 0.117383 0.159740 0.349 Uiso 1 1 calc R U . . .
C5_15 C 0.660220 0.084350 0.071420 0.195(5) Uani 1 1 d D U . . .
H5A_15 H 0.645328 0.084633 0.084966 0.234 Uiso 1 1 calc R U . . .
H5B_15 H 0.658728 0.079984 0.030749 0.234 Uiso 1 1 calc R U . . .
C6_15 C 0.674700 0.068530 0.107140 0.229(9) Uani 1 1 d D U . . .
H6A_15 H 0.676680 0.056031 0.084134 0.344 Uiso 1 1 calc R U . . .
H6B_15 H 0.667536 0.064704 0.141347 0.344 Uiso 1 1 calc R U . . .
H6C_15 H 0.689098 0.074788 0.118669 0.344 Uiso 1 1 calc R U . . .
P1_15 P 0.672580 0.110980 0.077640 0.179(2) Uani 1 1 d D U . . .
C1_16 C 0.470040 0.157270 0.495170 0.249(6) Uani 1 1 d D U . . .
H1A_16 H 0.467353 0.170750 0.475153 0.299 Uiso 1 1 calc R U . . .
H1B_16 H 0.485396 0.157546 0.513108 0.299 Uiso 1 1 calc R U . . .
C2_16 C 0.468450 0.139940 0.449510 0.334(12) Uani 1 1 d D U . . .
H2A_16 H 0.483226 0.134619 0.444666 0.501 Uiso 1 1 calc R U . . .
H2B_16 H 0.461871 0.145605 0.413030 0.501 Uiso 1 1 calc R U . . .
H2C_16 H 0.459241 0.128567 0.461779 0.501 Uiso 1 1 calc R U . . .
C3_16 C 0.455860 0.182500 0.588690 0.246(6) Uani 1 1 d D U . . .
H3A_16 H 0.453689 0.193519 0.559134 0.295 Uiso 1 1 calc R U . . .
H3B_16 H 0.444991 0.184715 0.616919 0.295 Uiso 1 1 calc R U . . .
C4_16 C 0.479350 0.183930 0.618850 0.265(10) Uani 1 1 d D U . . .
H4A_16 H 0.485974 0.197263 0.609381 0.398 Uiso 1 1 calc R U . . .
H4B_16 H 0.488274 0.172446 0.605983 0.398 Uiso 1 1 calc R U . . .
H4C_16 H 0.478756 0.182991 0.660385 0.398 Uiso 1 1 calc R U . . .
C5_16 C 0.423350 0.159280 0.514060 0.243(6) Uani 1 1 d D U . . .
H5A_16 H 0.412298 0.161539 0.541780 0.292 Uiso 1 1 calc R U . . .
H5B_16 H 0.423410 0.171755 0.489209 0.292 Uiso 1 1 calc R U . . .
C6_16 C 0.416810 0.140020 0.477040 0.268(11) Uani 1 1 d D U . . .
H6A_16 H 0.402517 0.134787 0.486679 0.403 Uiso 1 1 calc R U . . .
H6B_16 H 0.427979 0.129120 0.484434 0.403 Uiso 1 1 calc R U . . .
H6C_16 H 0.415774 0.143901 0.436458 0.403 Uiso 1 1 calc R U . . .
P1_16 P 0.451370 0.155970 0.554070 0.227(3) Uani 1 1 d D U . . .
C1_17 C 0.422080 0.156920 0.691850 0.222(6) Uani 1 1 d D U . . .
H1A_17 H 0.434081 0.158675 0.722954 0.267 Uiso 1 1 calc R U . . .
H1B_17 H 0.423105 0.168420 0.664063 0.267 Uiso 1 1 calc R U . . .
C2_17 C 0.399630 0.157780 0.716860 0.241(10) Uani 1 1 d D U . . .
H2A_17 H 0.401926 0.160240 0.758233 0.362 Uiso 1 1 calc R U . . .
H2B_17 H 0.391895 0.144511 0.709606 0.362 Uiso 1 1 calc R U . . .
H2C_17 H 0.390783 0.169136 0.698655 0.362 Uiso 1 1 calc R U . . .
C3_17 C 0.423150 0.112120 0.715710 0.229(6) Uani 1 1 d D U . . .
H3A_17 H 0.409238 0.114425 0.733416 0.274 Uiso 1 1 calc R U . . .
H3B_17 H 0.423138 0.097657 0.700949 0.274 Uiso 1 1 calc R U . . .
C4_17 C 0.442940 0.115350 0.760650 0.263(10) Uani 1 1 d D U . . .
H4A_17 H 0.443644 0.103834 0.788231 0.394 Uiso 1 1 calc R U . . .
H4B_17 H 0.441217 0.128556 0.780778 0.394 Uiso 1 1 calc R U . . .
H4C_17 H 0.456554 0.115716 0.741542 0.394 Uiso 1 1 calc R U . . .
C5_17 C 0.397460 0.128060 0.613180 0.231(6) Uani 1 1 d D U . . .
H5A_17 H 0.385902 0.127827 0.640130 0.277 Uiso 1 1 calc R U . . .
H5B_17 H 0.394678 0.140258 0.587650 0.277 Uiso 1 1 calc R U . . .
C6_17 C 0.395810 0.108010 0.576880 0.266(10) Uani 1 1 d D U . . .
H6A_17 H 0.390960 0.111527 0.537017 0.398 Uiso 1 1 calc R U . . .
H6B_17 H 0.385148 0.098496 0.591815 0.398 Uiso 1 1 calc R U . . .
H6C_17 H 0.410272 0.101249 0.578710 0.398 Uiso 1 1 calc R U . . .
P1_17 P 0.425220 0.131140 0.655090 0.216(3) Uani 1 1 d D U . . .
C1_18 C 0.592600 -0.039090 0.974040 0.198(5) Uani 1 1 d D U . . .
H1A_18 H 0.586021 -0.045069 1.007429 0.237 Uiso 1 1 calc R U . . .
H1B_18 H 0.605747 -0.047452 0.967203 0.237 Uiso 1 1 calc R U . . .
C2_18 C 0.599380 -0.016300 0.986580 0.221(9) Uani 1 1 d D U . . .
H2A_18 H 0.613978 -0.015963 1.007957 0.331 Uiso 1 1 calc R U . . .
H2B_18 H 0.588633 -0.009692 1.009366 0.331 Uiso 1 1 calc R U . . .
H2C_18 H 0.599844 -0.008739 0.950398 0.331 Uiso 1 1 calc R U . . .
C3_18 C 0.547160 -0.027550 0.934440 0.197(5) Uani 1 1 d D U . . .
H3A_18 H 0.549794 -0.012377 0.938815 0.236 Uiso 1 1 calc R U . . .
H3B_18 H 0.534543 -0.029550 0.905181 0.236 Uiso 1 1 calc R U . . .
C4_18 C 0.541290 -0.036600 0.991920 0.227(9) Uani 1 1 d D U . . .
H4A_18 H 0.527250 -0.030720 1.001401 0.341 Uiso 1 1 calc R U . . .
H4B_18 H 0.552895 -0.033040 1.022121 0.341 Uiso 1 1 calc R U . . .
H4C_18 H 0.539991 -0.051797 0.988807 0.341 Uiso 1 1 calc R U . . .
C5_18 C 0.564480 -0.068430 0.905020 0.209(5) Uani 1 1 d D U . . .
H5A_18 H 0.577480 -0.076897 0.897548 0.251 Uiso 1 1 calc R U . . .
H5B_18 H 0.559306 -0.073064 0.941731 0.251 Uiso 1 1 calc R U . . .
C6_18 C 0.546060 -0.071330 0.856090 0.239(10) Uani 1 1 d D U . . .
H6A_18 H 0.550698 -0.081629 0.828781 0.359 Uiso 1 1 calc R U . . .
H6B_18 H 0.543106 -0.057989 0.836481 0.359 Uiso 1 1 calc R U . . .
H6C_18 H 0.532653 -0.076218 0.871866 0.359 Uiso 1 1 calc R U . . .
P1_18 P 0.572100 -0.040120 0.909280 0.187(3) Uani 1 1 d D U . . .
C1_19 C 0.622860 -0.035980 0.752160 0.231(6) Uani 1 1 d D U . . .
H1A_19 H 0.612945 -0.031106 0.718990 0.277 Uiso 1 1 calc R U . . .
H1B_19 H 0.631809 -0.023977 0.767305 0.277 Uiso 1 1 calc R U . . .
C2_19 C 0.638100 -0.053230 0.732840 0.274(10) Uani 1 1 d D U . . .
H2A_19 H 0.634790 -0.055740 0.691712 0.410 Uiso 1 1 calc R U . . .
H2B_19 H 0.635720 -0.066087 0.753989 0.410 Uiso 1 1 calc R U . . .
H2C_19 H 0.653487 -0.048840 0.740525 0.410 Uiso 1 1 calc R U . . .
C3_19 C 0.593100 -0.070260 0.775190 0.235(6) Uani 1 1 d D U . . .
H3A_19 H 0.604526 -0.079217 0.760452 0.282 Uiso 1 1 calc R U . . .
H3B_19 H 0.585694 -0.078319 0.803859 0.282 Uiso 1 1 calc R U . . .
C4_19 C 0.576190 -0.063560 0.725670 0.281(10) Uani 1 1 d D U . . .
H4A_19 H 0.573510 -0.075169 0.698741 0.422 Uiso 1 1 calc R U . . .
H4B_19 H 0.581943 -0.051596 0.705766 0.422 Uiso 1 1 calc R U . . .
H4C_19 H 0.562356 -0.059652 0.740990 0.422 Uiso 1 1 calc R U . . .
C5_19 C 0.627550 -0.056800 0.863700 0.224(6) Uani 1 1 d D U . . .
H5A_19 H 0.620752 -0.065126 0.892925 0.269 Uiso 1 1 calc R U . . .
H5B_19 H 0.638209 -0.065650 0.845443 0.269 Uiso 1 1 calc R U . . .
C6_19 C 0.638880 -0.037210 0.890600 0.242(10) Uani 1 1 d D U . . .
H6A_19 H 0.654556 -0.040096 0.900530 0.363 Uiso 1 1 calc R U . . .
H6B_19 H 0.632011 -0.033394 0.925271 0.363 Uiso 1 1 calc R U . . .
H6C_19 H 0.637283 -0.025674 0.863117 0.363 Uiso 1 1 calc R U . . .
P1_19 P 0.606080 -0.046250 0.809120 0.212(3) Uani 1 1 d D U . . .
C1_20 C 0.779350 0.096550 0.534170 0.342(7) Uani 1 1 d D U . . .
H1A_20 H 0.781752 0.106546 0.566320 0.411 Uiso 1 1 calc R U . . .
H1B_20 H 0.763791 0.097323 0.517905 0.411 Uiso 1 1 calc R U . . .
C2_20 C 0.785660 0.074200 0.553470 0.364(12) Uani 1 1 d D U . . .
H2A_20 H 0.801727 0.073058 0.559930 0.547 Uiso 1 1 calc R U . . .
H2B_20 H 0.780140 0.064303 0.523668 0.547 Uiso 1 1 calc R U . . .
H2C_20 H 0.779125 0.071024 0.589086 0.547 Uiso 1 1 calc R U . . .
C3_20 C 0.825880 0.104990 0.522110 0.347(7) Uani 1 1 d D U . . .
H3A_20 H 0.828375 0.092837 0.547934 0.416 Uiso 1 1 calc R U . . .
H3B_20 H 0.837785 0.105138 0.496169 0.416 Uiso 1 1 calc R U . . .
C4_20 C 0.827340 0.125060 0.558320 0.381(12) Uani 1 1 d D U . . .
H4A_20 H 0.835959 0.122341 0.594966 0.571 Uiso 1 1 calc R U . . .
H4B_20 H 0.812479 0.129577 0.565350 0.571 Uiso 1 1 calc R U . . .
H4C_20 H 0.834512 0.136034 0.537688 0.571 Uiso 1 1 calc R U . . .
C5_20 C 0.801530 0.075340 0.444810 0.348(7) Uani 1 1 d D U . . .
H5A_20 H 0.812605 0.075841 0.416560 0.417 Uiso 1 1 calc R U . . .
H5B_20 H 0.806376 0.064958 0.474606 0.417 Uiso 1 1 calc R U . . .
C6_20 C 0.778900 0.069260 0.415120 0.362(12) Uani 1 1 d D U . . .
H6A_20 H 0.772620 0.081132 0.392898 0.543 Uiso 1 1 calc R U . . .
H6B_20 H 0.769061 0.065345 0.444068 0.543 Uiso 1 1 calc R U . . .
H6C_20 H 0.780585 0.057426 0.389457 0.543 Uiso 1 1 calc R U . . .
P1_20 P 0.798680 0.101650 0.478060 0.333(4) Uani 1 1 d D U . . .
C1_21 C 0.848570 0.120700 0.387770 0.334(7) Uani 1 1 d D U . . .
H1A_21 H 0.849648 0.109213 0.416097 0.401 Uiso 1 1 calc R U . . .
H1B_21 H 0.860437 0.118999 0.362089 0.401 Uiso 1 1 calc R U . . .
C2_21 C 0.850570 0.141970 0.418290 0.360(12) Uani 1 1 d D U . . .
H2A_21 H 0.862812 0.141550 0.448494 0.539 Uiso 1 1 calc R U . . .
H2B_21 H 0.836845 0.145037 0.435275 0.539 Uiso 1 1 calc R U . . .
H2C_21 H 0.853326 0.152858 0.390523 0.539 Uiso 1 1 calc R U . . .
C3_21 C 0.824870 0.139860 0.286720 0.339(7) Uani 1 1 d D U . . .
H3A_21 H 0.825692 0.153871 0.304514 0.407 Uiso 1 1 calc R U . . .
H3B_21 H 0.839486 0.137027 0.273247 0.407 Uiso 1 1 calc R U . . .
C4_21 C 0.808210 0.141210 0.233280 0.367(12) Uani 1 1 d D U . . .
H4A_21 H 0.794049 0.135420 0.242137 0.550 Uiso 1 1 calc R U . . .
H4B_21 H 0.813740 0.133243 0.201971 0.550 Uiso 1 1 calc R U . . .
H4C_21 H 0.806238 0.155826 0.221722 0.550 Uiso 1 1 calc R U . . .
C5_21 C 0.820540 0.094970 0.306910 0.338(7) Uani 1 1 d D U . . .
H5A_21 H 0.816213 0.083557 0.331981 0.507 Uiso 1 1 calc R U . . .
H5B_21 H 0.810061 0.095350 0.272023 0.507 Uiso 1 1 calc R U . . .
C6_21 C 0.844260 0.091760 0.291130 0.397(12) Uani 1 1 d D U . . .
H6A_21 H 0.848693 0.103779 0.269098 0.596 Uiso 1 1 calc R U . . .
H6B_21 H 0.844945 0.079079 0.268049 0.596 Uiso 1 1 calc R U . . .
H6C_21 H 0.854235 0.090380 0.326202 0.596 Uiso 1 1 calc R U . . .
P1_21 P 0.820810 0.120501 0.345301 0.320(4) Uani 1 1 d D U . . .
C1_22 C 0.828460 0.269070 0.481260 0.207(5) Uani 1 1 d D U . . .
H1A_22 H 0.844336 0.272573 0.484007 0.248 Uiso 1 1 calc R U . . .
H1B_22 H 0.821743 0.276321 0.512583 0.248 Uiso 1 1 calc R U . . .
C2_22 C 0.825450 0.245330 0.486670 0.248(10) Uani 1 1 d D U . . .
H2A_22 H 0.831480 0.240762 0.524837 0.372 Uiso 1 1 calc R U . . .
H2B_22 H 0.833221 0.238220 0.457528 0.372 Uiso 1 1 calc R U . . .
H2C_22 H 0.809733 0.241902 0.481087 0.372 Uiso 1 1 calc R U . . .
C3_22 C 0.815690 0.306720 0.415100 0.194(5) Uani 1 1 d D U . . .
H3A_22 H 0.810636 0.311211 0.452077 0.233 Uiso 1 1 calc R U . . .
H3B_22 H 0.831036 0.311585 0.413669 0.233 Uiso 1 1 calc R U . . .
C4_22 C 0.800870 0.316520 0.365420 0.206(9) Uani 1 1 d D U . . .
H4A_22 H 0.795780 0.330229 0.377107 0.309 Uiso 1 1 calc R U . . .
H4B_22 H 0.788136 0.307464 0.355501 0.309 Uiso 1 1 calc R U . . .
H4C_22 H 0.809262 0.318103 0.332036 0.309 Uiso 1 1 calc R U . . .
C5_22 C 0.785210 0.271440 0.415360 0.192(5) Uani 1 1 d D U . . .
H5A_22 H 0.776340 0.277022 0.381229 0.230 Uiso 1 1 calc R U . . .
H5B_22 H 0.783268 0.256115 0.415608 0.230 Uiso 1 1 calc R U . . .
C6_22 C 0.776700 0.280710 0.469710 0.242(10) Uani 1 1 d D U . . .
H6A_22 H 0.760588 0.279850 0.466759 0.363 Uiso 1 1 calc R U . . .
H6B_22 H 0.781245 0.295336 0.473655 0.363 Uiso 1 1 calc R U . . .
H6C_22 H 0.782852 0.272843 0.503303 0.363 Uiso 1 1 calc R U . . .
P1_22 P 0.814770 0.277610 0.410100 0.189(2) Uani 1 1 d D U . . .
C1_23 C 0.874950 0.284900 0.411280 0.218(6) Uani 1 1 d D U . . .
H1A_23 H 0.888155 0.293081 0.403874 0.262 Uiso 1 1 calc R U . . .
H1B_23 H 0.866268 0.293227 0.436700 0.262 Uiso 1 1 calc R U . . .
C2_23 C 0.882150 0.264320 0.441290 0.245(10) Uani 1 1 d D U . . .
H2A_23 H 0.890339 0.267374 0.478318 0.367 Uiso 1 1 calc R U . . .
H2B_23 H 0.891590 0.256505 0.417283 0.367 Uiso 1 1 calc R U . . .
H2C_23 H 0.869102 0.255985 0.447365 0.367 Uiso 1 1 calc R U . . .
C3_23 C 0.878490 0.268170 0.296300 0.218(6) Uani 1 1 d D U . . .
H3A_23 H 0.881142 0.253524 0.308387 0.261 Uiso 1 1 calc R U . . .
H3B_23 H 0.871999 0.267955 0.255994 0.261 Uiso 1 1 calc R U . . .
C4_23 C 0.900840 0.279480 0.298790 0.255(10) Uani 1 1 d D U . . .
H4A_23 H 0.911377 0.270892 0.280134 0.382 Uiso 1 1 calc R U . . .
H4B_23 H 0.906382 0.281840 0.338857 0.382 Uiso 1 1 calc R U . . .
H4C_23 H 0.898983 0.292905 0.278963 0.382 Uiso 1 1 calc R U . . .
C5_23 C 0.853750 0.306660 0.311040 0.211(6) Uani 1 1 d D U . . .
H5A_23 H 0.843544 0.314482 0.333578 0.253 Uiso 1 1 calc R U . . .
H5B_23 H 0.868034 0.314107 0.314216 0.253 Uiso 1 1 calc R U . . .
C6_23 C 0.844330 0.306070 0.247800 0.233(9) Uani 1 1 d D U . . .
H6A_23 H 0.839350 0.320053 0.235723 0.349 Uiso 1 1 calc R U . . .
H6B_23 H 0.831860 0.296379 0.243366 0.349 Uiso 1 1 calc R U . . .
H6C_23 H 0.855784 0.301403 0.224062 0.349 Uiso 1 1 calc R U . . .
P1_23 P 0.857840 0.279800 0.341500 0.199(3) Uani 1 1 d D U . . .
C1_24 C 0.869120 -0.037740 -0.412000 0.237(6) Uani 1 1 d D U . . .
H1A_24 H 0.877777 -0.045816 -0.438031 0.284 Uiso 1 1 calc R U . . .
H1B_24 H 0.856134 -0.046139 -0.404014 0.284 Uiso 1 1 calc R U . . .
C2_24 C 0.861580 -0.016970 -0.440390 0.254(10) Uani 1 1 d D U . . .
H2A_24 H 0.865082 -0.016915 -0.480327 0.380 Uiso 1 1 calc R U . . .
H2B_24 H 0.869213 -0.005388 -0.419748 0.380 Uiso 1 1 calc R U . . .
H2C_24 H 0.845646 -0.015390 -0.439162 0.380 Uiso 1 1 calc R U . . .
C3_24 C 0.891070 -0.058320 -0.310570 0.228(6) Uani 1 1 d D U . . .
H3A_24 H 0.876595 -0.064575 -0.304866 0.273 Uiso 1 1 calc R U . . .
H3B_24 H 0.898210 -0.067328 -0.337700 0.273 Uiso 1 1 calc R U . . .
C4_24 C 0.905350 -0.058300 -0.252820 0.241(10) Uani 1 1 d D U . . .
H4A_24 H 0.909031 -0.072684 -0.241518 0.362 Uiso 1 1 calc R U . . .
H4B_24 H 0.897176 -0.051740 -0.223564 0.362 Uiso 1 1 calc R U . . .
H4C_24 H 0.918932 -0.050463 -0.256623 0.362 Uiso 1 1 calc R U . . .
C5_24 C 0.866530 -0.019480 -0.298210 0.237(6) Uani 1 1 d D U . . .
H5A_24 H 0.873061 -0.019287 -0.257938 0.284 Uiso 1 1 calc R U . . .
H5B_24 H 0.864151 -0.004842 -0.310696 0.284 Uiso 1 1 calc R U . . .
C6_24 C 0.844120 -0.030690 -0.301170 0.271(10) Uani 1 1 d D U . . .
H6A_24 H 0.833720 -0.022302 -0.281454 0.407 Uiso 1 1 calc R U . . .
H6B_24 H 0.845959 -0.044352 -0.282615 0.407 Uiso 1 1 calc R U . . .
H6C_24 H 0.838420 -0.032550 -0.341325 0.407 Uiso 1 1 calc R U . . .
P1_24 P 0.886410 -0.032030 -0.343620 0.224(3) Uani 1 1 d D U . . .
C1_25 C 0.913840 -0.022990 -0.484210 0.244(6) Uani 1 1 d D U . . .
H1A_25 H 0.918603 -0.031309 -0.516401 0.293 Uiso 1 1 calc R U . . .
H1B_25 H 0.898078 -0.025948 -0.480873 0.293 Uiso 1 1 calc R U . . .
C2_25 C 0.917010 0.000420 -0.495830 0.271(10) Uani 1 1 d D U . . .
H2A_25 H 0.910029 0.003916 -0.533980 0.406 Uiso 1 1 calc R U . . .
H2B_25 H 0.932782 0.003594 -0.493976 0.406 Uiso 1 1 calc R U . . .
H2C_25 H 0.910235 0.008635 -0.466923 0.406 Uiso 1 1 calc R U . . .
C3_25 C 0.930760 -0.059520 -0.418730 0.238(6) Uani 1 1 d D U . . .
H3A_25 H 0.915439 -0.064737 -0.420133 0.286 Uiso 1 1 calc R U . . .
H3B_25 H 0.937032 -0.064127 -0.454073 0.286 Uiso 1 1 calc R U . . .
C4_25 C 0.944380 -0.068860 -0.366230 0.244(10) Uani 1 1 d D U . . .
H4A_25 H 0.945270 -0.084026 -0.370600 0.365 Uiso 1 1 calc R U . . .
H4B_25 H 0.937284 -0.065574 -0.331521 0.365 Uiso 1 1 calc R U . . .
H4C_25 H 0.959253 -0.062923 -0.363167 0.365 Uiso 1 1 calc R U . . .
C5_25 C 0.959290 -0.023300 -0.431090 0.237(6) Uani 1 1 d D U . . .
H5A_25 H 0.959765 -0.008372 -0.441654 0.284 Uiso 1 1 calc R U . . .
H5B_25 H 0.969439 -0.025405 -0.396075 0.284 Uiso 1 1 calc R U . . .
C6_25 C 0.967030 -0.036610 -0.480040 0.269(10) Uani 1 1 d D U . . .
H6A_25 H 0.967689 -0.051295 -0.468447 0.404 Uiso 1 1 calc R U . . .
H6B_25 H 0.981686 -0.031980 -0.488562 0.404 Uiso 1 1 calc R U . . .
H6C_25 H 0.956641 -0.035026 -0.514265 0.404 Uiso 1 1 calc R U . . .
P1_25 P 0.930620 -0.030360 -0.415890 0.233(3) Uani 1 1 d D U . . .
C1_26 C 1.049400 0.180300 0.024500 0.141(6) Uani 0.5 1 d D U P B -1
H1A_26 H 1.049264 0.187037 0.062448 0.170 Uiso 0.5 1 calc R U P G -1
H1B_26 H 1.062986 0.184681 0.007779 0.170 Uiso 0.5 1 calc R U P H -1
C2_26 C 1.029130 0.187430 -0.014740 0.163(10) Uani 0.5 1 d D U P B -1
H2A_26 H 1.022180 0.199282 0.002855 0.244 Uiso 0.5 1 calc R U P I -1
H2B_26 H 1.018573 0.175914 -0.020071 0.244 Uiso 0.5 1 calc R U P J -1
H2C_26 H 1.033734 0.191634 -0.051983 0.244 Uiso 0.5 1 calc R U P K -1
C3_26 C 1.074470 0.146410 0.083840 0.146(6) Uani 0.5 1 d D U P B -1
H3A_26 H 1.087807 0.148702 0.063628 0.175 Uiso 0.5 1 calc R U P L -1
H3B_26 H 1.074806 0.156451 0.115974 0.175 Uiso 0.5 1 calc R U P M -1
C4_26 C 1.074730 0.124030 0.107670 0.172(11) Uani 0.5 1 d D U P B -1
H4A_26 H 1.089161 0.117701 0.104048 0.259 Uiso 0.5 1 calc R U P N -1
H4B_26 H 1.063273 0.115767 0.086005 0.259 Uiso 0.5 1 calc R U P O -1
H4C_26 H 1.071921 0.124378 0.148124 0.259 Uiso 0.5 1 calc R U P P -1
C5_26 C 1.026200 0.146630 0.078610 0.146(6) Uani 0.5 1 d D U P B -1
H5A_26 H 1.012177 0.150656 0.056662 0.176 Uiso 0.5 1 calc R U P Q -1
H5B_26 H 1.025411 0.131565 0.087402 0.176 Uiso 0.5 1 calc R U P R -1
C6_26 C 1.028800 0.159010 0.135110 0.164(10) Uani 0.5 1 d D U P B -1
H6A_26 H 1.036141 0.150280 0.165454 0.247 Uiso 0.5 1 calc R U P S -1
H6B_26 H 1.014238 0.163121 0.145657 0.247 Uiso 0.5 1 calc R U P T -1
H6C_26 H 1.037675 0.171507 0.130173 0.247 Uiso 0.5 1 calc R U P U -1
P1_26 P 1.049440 0.151260 0.033390 0.137(3) Uani 0.5 1 d D U P B -1
C1_27 C 1.085850 0.167970 -0.078190 0.148(6) Uani 0.5 1 d D U P B -1
H1A_27 H 1.087980 0.172698 -0.037865 0.177 Uiso 0.5 1 calc R U P V -1
H1B_27 H 1.100228 0.168781 -0.094475 0.177 Uiso 0.5 1 calc R U P W -1
C2_27 C 1.069130 0.182300 -0.112340 0.165(11) Uani 0.5 1 d D U P B -1
H2A_27 H 1.076817 0.194417 -0.126348 0.247 Uiso 0.5 1 calc R U P X -1
H2B_27 H 1.058063 0.187001 -0.087471 0.247 Uiso 0.5 1 calc R U P Y -1
H2C_27 H 1.061871 0.174600 -0.144931 0.247 Uiso 0.5 1 calc R U P Z -1
C3_27 C 1.100600 0.125180 -0.051940 0.152(6) Uani 0.5 1 d D U P B -1
H3A_27 H 1.113026 0.128128 -0.075030 0.183 Uiso 0.5 1 calc R U P A -1
H3B_27 H 1.104992 0.129487 -0.011956 0.183 Uiso 0.5 1 calc R U P B -1
C4_27 C 1.095420 0.101680 -0.053820 0.175(11) Uani 0.5 1 d D U P B -1
H4A_27 H 1.108173 0.094009 -0.065412 0.262 Uiso 0.5 1 calc R U P C -1
H4B_27 H 1.082645 0.099086 -0.081479 0.262 Uiso 0.5 1 calc R U P D -1
H4C_27 H 1.092145 0.096987 -0.015765 0.262 Uiso 0.5 1 calc R U P E -1
C5_27 C 1.073700 0.134240 -0.159360 0.148(6) Uani 0.5 1 d D U P B -1
H5A_27 H 1.068644 0.119685 -0.165748 0.178 Uiso 0.5 1 calc R U P F -1
H5B_27 H 1.062759 0.143601 -0.180047 0.178 Uiso 0.5 1 calc R U P G -1
C6_27 C 1.096270 0.137140 -0.182730 0.170(11) Uani 0.5 1 d D U P B -1
H6A_27 H 1.094479 0.136540 -0.224665 0.254 Uiso 0.5 1 calc R U P H -1
H6B_27 H 1.106266 0.126022 -0.167952 0.254 Uiso 0.5 1 calc R U P I -1
H6C_27 H 1.102430 0.150704 -0.170448 0.254 Uiso 0.5 1 calc R U P J -1
P1_27 P 1.075800 0.140310 -0.080890 0.139(3) Uani 0.5 1 d D U P B -1
C1_28 C 0.945340 0.170430 -0.452280 0.236(7) Uani 0.5 1 d D U P B -1
H1A_28 H 0.939324 0.180062 -0.482830 0.284 Uiso 0.5 1 calc R U P K -1
H1B_28 H 0.934222 0.169082 -0.424335 0.284 Uiso 0.5 1 calc R U P L -1
C2_28 C 0.966430 0.180070 -0.421810 0.255(13) Uani 0.5 1 d D U P B -1
H2A_28 H 0.976319 0.184259 -0.450374 0.382 Uiso 0.5 1 calc R U P M -1
H2B_28 H 0.973828 0.169764 -0.395812 0.382 Uiso 0.5 1 calc R U P N -1
H2C_28 H 0.962557 0.192318 -0.399865 0.382 Uiso 0.5 1 calc R U P O -1
C3_28 C 0.921370 0.137850 -0.519860 0.234(7) Uani 0.5 1 d D U P B -1
H3A_28 H 0.911423 0.134867 -0.489846 0.281 Uiso 0.5 1 calc R U P P -1
H3B_28 H 0.915489 0.150134 -0.541838 0.281 Uiso 0.5 1 calc R U P Q -1
C4_28 C 0.921660 0.118960 -0.560340 0.248(13) Uani 0.5 1 d D U P B -1
H4A_28 H 0.906544 0.114170 -0.570630 0.373 Uiso 0.5 1 calc R U P R -1
H4B_28 H 0.930279 0.107670 -0.541054 0.373 Uiso 0.5 1 calc R U P S -1
H4C_28 H 0.928341 0.123021 -0.595093 0.373 Uiso 0.5 1 calc R U P T -1
C5_28 C 0.965040 0.151010 -0.548310 0.235(7) Uani 0.5 1 d D U P B -1
H5A_28 H 0.979605 0.144069 -0.545061 0.281 Uiso 0.5 1 calc R U P U -1
H5B_28 H 0.956658 0.146290 -0.584189 0.281 Uiso 0.5 1 calc R U P V -1
C6_28 C 0.967970 0.174860 -0.549220 0.247(13) Uani 0.5 1 d D U P B -1
H6A_28 H 0.973349 0.179735 -0.510831 0.370 Uiso 0.5 1 calc R U P W -1
H6B_28 H 0.953786 0.181475 -0.561096 0.370 Uiso 0.5 1 calc R U P X -1
H6C_28 H 0.978639 0.178544 -0.576312 0.370 Uiso 0.5 1 calc R U P Y -1
P1_28 P 0.949660 0.144100 -0.484940 0.226(5) Uani 0.5 1 d D U P B -1
C1_29 C 0.928820 0.112730 -0.284840 0.230(7) Uani 0.5 1 d D U P B -1
H1A_29 H 0.941393 0.117510 -0.258279 0.276 Uiso 0.5 1 calc R U P Z -1
H1B_29 H 0.915286 0.116075 -0.266442 0.276 Uiso 0.5 1 calc R U P A -1
C2_29 C 0.930320 0.088790 -0.287580 0.230(12) Uani 0.5 1 d D U P B -1
H2A_29 H 0.945093 0.084731 -0.296642 0.344 Uiso 0.5 1 calc R U P B -1
H2B_29 H 0.919361 0.083537 -0.317366 0.344 Uiso 0.5 1 calc R U P C -1
H2C_29 H 0.927461 0.082865 -0.250476 0.344 Uiso 0.5 1 calc R U P D -1
C3_29 C 0.926480 0.156510 -0.319610 0.234(7) Uani 0.5 1 d D U P B -1
H3A_29 H 0.940809 0.160453 -0.299087 0.281 Uiso 0.5 1 calc R U P E -1
H3B_29 H 0.923001 0.166651 -0.350987 0.281 Uiso 0.5 1 calc R U P F -1
C4_29 C 0.908400 0.157220 -0.277960 0.246(12) Uani 0.5 1 d D U P B -1
H4A_29 H 0.908628 0.170848 -0.259009 0.370 Uiso 0.5 1 calc R U P G -1
H4B_29 H 0.911091 0.146237 -0.249094 0.370 Uiso 0.5 1 calc R U P H -1
H4C_29 H 0.893981 0.155026 -0.299286 0.370 Uiso 0.5 1 calc R U P I -1
C5_29 C 0.900130 0.125260 -0.386590 0.236(7) Uani 0.5 1 d D U P B -1
H5A_29 H 0.889184 0.127748 -0.358721 0.284 Uiso 0.5 1 calc R U P J -1
H5B_29 H 0.897349 0.135451 -0.418150 0.284 Uiso 0.5 1 calc R U P K -1
C6_29 C 0.897210 0.103000 -0.410780 0.255(13) Uani 0.5 1 d D U P B -1
H6A_29 H 0.886680 0.103208 -0.445020 0.382 Uiso 0.5 1 calc R U P L -1
H6B_29 H 0.891659 0.093883 -0.381835 0.382 Uiso 0.5 1 calc R U P M -1
H6C_29 H 0.911433 0.097746 -0.420877 0.382 Uiso 0.5 1 calc R U P N -1
P1_29 P 0.928470 0.129380 -0.350560 0.228(4) Uani 0.5 1 d D U P B -1
C1_7 C 0.546630 0.086980 0.870840 0.242(5) Uani 1 1 d . U . . .
C2_7 C 0.536413 0.065232 0.854094 0.251(4) Uani 1 1 d G U . . .
C3_7 C 0.514403 0.063680 0.832950 0.263(5) Uani 1 1 d G U . . .
C4_7 C 0.505587 0.044418 0.816041 0.265(5) Uani 1 1 d G U . . .
C5_7 C 0.518781 0.026708 0.820277 0.263(5) Uani 1 1 d G U . . .
C6_7 C 0.540790 0.028260 0.841420 0.248(4) Uani 1 1 d G U . . .
N1_7 N 0.549607 0.047521 0.858329 0.250(4) Uani 1 1 d G U . . .
H3_7 H 0.506570 0.075180 0.827240 0.300 Uiso 1 1 d R U . . .
H5_7 H 0.512500 0.012220 0.806550 0.300 Uiso 1 1 d R U . . .
C7_7 C 0.557610 0.011490 0.850100 0.238(5) Uani 1 1 d . U . . .
O1_7 O 0.535040 0.101520 0.858610 0.238(5) Uani 1 1 d . U . . .
O2_7 O 0.565280 0.085280 0.899510 0.275(6) Uani 1 1 d . U . . .
O3_7 O 0.552530 -0.004990 0.826180 0.218(4) Uani 1 1 d . U . . .
O4_7 O 0.576660 0.015520 0.879090 0.263(6) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt01 N2_5 2.0863 . ?
Pt01 O6_6 1.8770 . ?
Pt01 P1_14 2.2521 . ?
Pt01 P1_15 2.2511 . ?
Pt02 N2_2 2.1095 . ?
Pt02 O3_6 1.9958 . ?
Pt02 P1_8 2.1925 . ?
Pt02 P1_13 2.2634 . ?
Pt03 N1_3 2.0845 . ?
Pt03 P1_18 2.2701 . ?
Pt03 P1_19 2.1772 . ?
Pt03 O3_7 2.1278 . ?
Pt4 N1_5 2.3853 . ?
Pt4 C1_6 2.4303 . ?
Pt4 O1_6 1.7767 . ?
Pt4 O2_6 2.5163 . ?
Pt4 P1_22 1.9501 . ?
Pt4 P1_23 2.6490 . ?
Pt4A N1_5 1.9986 . ?
Pt4A O1_6 2.2714 . ?
Pt4A P1_22 2.3009 . ?
Pt4A P1_23 2.0625 . ?
Pt05 N2_3 2.1493 . ?
Pt05 P1_16 2.1882 . ?
Pt05 P1_17 2.2838 . ?
Pt05 O1_7 1.9363 2_656 ?
Pt06 N2_4 2.0934 . ?
Pt06 O1_9 2.4973 . ?
Pt06 P1_24 2.2362 . ?
Pt06 P1_25 2.2499 . ?
Pt7 N1_4 2.0955 . ?
Pt7 O6_9 1.9281 . ?
Pt7 P1_26 2.2244 . ?
Pt7 P1_27 2.2331 . ?
Pt7A O8_9 2.1068 . ?
Pt7A P1_28 2.2264 . ?
Pt7A P1_29 2.3228 . ?
Pt08 N1_2 2.1851 . ?
Pt08 O7_6 2.1800 . ?
Pt08 P1_20 2.1788 . ?
Pt08 P1_21 2.4830 . ?
N1_2 C1_2 1.3900 . ?
N1_2 C5_2 1.3900 . ?
C1_2 H1_2 0.9500 . ?
C1_2 C2_2 1.3900 . ?
C2_2 H2_2 0.9500 . ?
C2_2 C3_2 1.3900 . ?
C3_2 C4_2 1.3900 . ?
C3_2 C23_2 1.4951 . ?
C4_2 H4_2 0.9500 . ?
C4_2 C5_2 1.3900 . ?
C5_2 H5_2 0.9500 . ?
N2_2 C6_2 1.3900 . ?
N2_2 C10_2 1.3900 . ?
C6_2 H6_2 0.9500 . ?
C6_2 C7_2 1.3900 . ?
C7_2 H7_2 0.9500 . ?
C7_2 C8_2 1.3900 . ?
C8_2 C9_2 1.3900 . ?
C8_2 C28_2 1.5097 . ?
C9_2 H9_2 0.9500 . ?
C9_2 C10_2 1.3900 . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.3900 . ?
C11_2 C16_2 1.3900 . ?
C11_2 C33_2 1.5447 . ?
C12_2 H12_2 0.9500 . ?
C12_2 C13_2 1.3900 . ?
C13_2 H13_2 0.9500 . ?
C13_2 C14_2 1.3900 . ?
C14_2 H14_2 0.9500 . ?
C14_2 C15_2 1.3900 . ?
C15_2 H15_2 0.9500 . ?
C15_2 C16_2 1.3900 . ?
C16_2 H16_2 0.9500 . ?
C17_2 C18_2 1.3900 . ?
C17_2 C22_2 1.3900 . ?
C17_2 C38_2 1.5459 . ?
C18_2 H18_2 0.9500 . ?
C18_2 C19_2 1.3900 . ?
C19_2 H19_2 0.9500 . ?
C19_2 C20_2 1.3900 . ?
C20_2 H20_2 0.9500 . ?
C20_2 C21_2 1.3900 . ?
C21_2 H21_2 0.9500 . ?
C21_2 C22_2 1.3900 . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.3885 . ?
C23_2 C42_2 1.4229 . ?
C24_2 C25_2 1.4261 . ?
C24_2 N3_2 1.3667 . ?
C25_2 H25_2 0.9500 . ?
C25_2 C26_2 1.3238 . ?
C26_2 H26_2 0.9500 . ?
C26_2 C27_2 1.4650 . ?
C27_2 C28_2 1.3807 . ?
C27_2 N3_2 1.3314 . ?
C28_2 C29_2 1.4088 . ?
C29_2 C30_2 1.4559 . ?
C29_2 N4_2 1.3411 . ?
C30_2 H30_2 0.9500 . ?
C30_2 C31_2 1.3072 . ?
C31_2 H31_2 0.9500 . ?
C31_2 C32_2 1.4213 . ?
C32_2 C33_2 1.3668 . ?
C32_2 N4_2 1.3965 . ?
C33_2 C34_2 1.3770 . ?
C34_2 C35_2 1.5043 . ?
C34_2 N5_2 1.3604 . ?
C35_2 H35_2 0.9500 . ?
C35_2 C36_2 1.2602 . ?
C36_2 H36_2 0.9500 . ?
C36_2 C37_2 1.4892 . ?
C37_2 C38_2 1.3515 . ?
C37_2 N5_2 1.3923 . ?
C38_2 C39_2 1.3978 . ?
C39_2 C40_2 1.4151 . ?
C39_2 N6_2 1.3593 . ?
C40_2 H40_2 0.9500 . ?
C40_2 C41_2 1.2779 . ?
C41_2 H41_2 0.9500 . ?
C41_2 C42_2 1.4164 . ?
C42_2 N6_2 1.3560 . ?
N1_3 C1_3 1.3900 . ?
N1_3 C5_3 1.3900 . ?
C1_3 H1_3 0.9500 . ?
C1_3 C2_3 1.3900 . ?
C2_3 H2_3 0.9500 . ?
C2_3 C3_3 1.3900 . ?
C3_3 C4_3 1.3900 . ?
C3_3 C23_3 1.4952 . ?
C4_3 H4_3 0.9500 . ?
C4_3 C5_3 1.3900 . ?
C5_3 H5_3 0.9500 . ?
N2_3 C6_3 1.3900 . ?
N2_3 C10_3 1.3900 . ?
C6_3 H6_3 0.9500 . ?
C6_3 C7_3 1.3900 . ?
C7_3 H7_3 0.9500 . ?
C7_3 C8_3 1.3900 . ?
C8_3 C9_3 1.3900 . ?
C8_3 C28_3 1.5051 . ?
C9_3 H9_3 0.9500 . ?
C9_3 C10_3 1.3900 . ?
C10_3 H10_3 0.9500 . ?
C11_3 C12_3 1.3900 . ?
C11_3 C16_3 1.3900 . ?
C11_3 C33_3 1.5446 . ?
C12_3 H12_3 0.9500 . ?
C12_3 C13_3 1.3900 . ?
C13_3 H13_3 0.9500 . ?
C13_3 C14_3 1.3900 . ?
C14_3 H14_3 0.9500 . ?
C14_3 C15_3 1.3900 . ?
C15_3 H15_3 0.9500 . ?
C15_3 C16_3 1.3900 . ?
C16_3 H16_3 0.9500 . ?
C17_3 C18_3 1.3900 . ?
C17_3 C22_3 1.3900 . ?
C17_3 C38_3 1.5501 . ?
C18_3 H18_3 0.9500 . ?
C18_3 C19_3 1.3900 . ?
C19_3 H19_3 0.9500 . ?
C19_3 C20_3 1.3900 . ?
C20_3 H20_3 0.9500 . ?
C20_3 C21_3 1.3900 . ?
C21_3 H21_3 0.9500 . ?
C21_3 C22_3 1.3900 . ?
C22_3 H22_3 0.9500 . ?
C23_3 C24_3 1.3958 . ?
C23_3 C42_3 1.4229 . ?
C24_3 C25_3 1.4356 . ?
C24_3 N3_3 1.3637 . ?
C25_3 H25_3 0.9500 . ?
C25_3 C26_3 1.3285 . ?
C26_3 H26_3 0.9500 . ?
C26_3 C27_3 1.4663 . ?
C27_3 C28_3 1.3857 . ?
C27_3 N3_3 1.3353 . ?
C28_3 C29_3 1.4113 . ?
C29_3 C30_3 1.4537 . ?
C29_3 N4_3 1.3369 . ?
C30_3 H30_3 0.9500 . ?
C30_3 C31_3 1.3069 . ?
C31_3 H31_3 0.9500 . ?
C31_3 C32_3 1.4145 . ?
C32_3 C33_3 1.3677 . ?
C32_3 N4_3 1.4040 . ?
C33_3 C34_3 1.3761 . ?
C34_3 C35_3 1.5024 . ?
C34_3 N5_3 1.3611 . ?
C35_3 H35_3 0.9500 . ?
C35_3 C36_3 1.2589 . ?
C36_3 H36_3 0.9500 . ?
C36_3 C37_3 1.4948 . ?
C37_3 C38_3 1.3531 . ?
C37_3 N5_3 1.3899 . ?
C38_3 C39_3 1.3947 . ?
C39_3 C40_3 1.4102 . ?
C39_3 N6_3 1.3632 . ?
C40_3 H40_3 0.9500 . ?
C40_3 C41_3 1.2668 . ?
C41_3 H41_3 0.9500 . ?
C41_3 C42_3 1.4222 . ?
C42_3 N6_3 1.3627 . ?
N1_4 C1_4 1.3900 . ?
N1_4 C5_4 1.3900 . ?
C1_4 H1_4 0.9500 . ?
C1_4 C2_4 1.3900 . ?
C2_4 H2_4 0.9500 . ?
C2_4 C3_4 1.3900 . ?
C3_4 C4_4 1.3900 . ?
C3_4 C23_4 1.4957 . ?
C4_4 H4_4 0.9500 . ?
C4_4 C5_4 1.3900 . ?
C5_4 H5_4 0.9500 . ?
N2_4 C6_4 1.3900 . ?
N2_4 C10_4 1.3900 . ?
C6_4 H6_4 0.9500 . ?
C6_4 C7_4 1.3900 . ?
C7_4 H7_4 0.9500 . ?
C7_4 C8_4 1.3900 . ?
C8_4 C9_4 1.3900 . ?
C8_4 C28_4 1.5013 . ?
C9_4 H9_4 0.9500 . ?
C9_4 C10_4 1.3900 . ?
C10_4 H10_4 0.9500 . ?
C11_4 C12_4 1.3900 . ?
C11_4 C16_4 1.3900 . ?
C11_4 C33_4 1.5450 . ?
C12_4 H12_4 0.9500 . ?
C12_4 C13_4 1.3900 . ?
C13_4 H13_4 0.9500 . ?
C13_4 C14_4 1.3900 . ?
C14_4 H14_4 0.9500 . ?
C14_4 C15_4 1.3900 . ?
C15_4 H15_4 0.9500 . ?
C15_4 C16_4 1.3900 . ?
C16_4 H16_4 0.9500 . ?
C17_4 C18_4 1.3900 . ?
C17_4 C22_4 1.3900 . ?
C17_4 C38_4 1.5491 . ?
C18_4 H18_4 0.9500 . ?
C18_4 C19_4 1.3900 . ?
C19_4 H19_4 0.9500 . ?
C19_4 C20_4 1.3900 . ?
C20_4 H20_4 0.9500 . ?
C20_4 C21_4 1.3900 . ?
C21_4 H21_4 0.9500 . ?
C21_4 C22_4 1.3900 . ?
C22_4 H22_4 0.9500 . ?
C23_4 C24_4 1.3926 . ?
C23_4 C42_4 1.4236 . ?
C24_4 C25_4 1.4287 . ?
C24_4 N3_4 1.3648 . ?
C25_4 H25_4 0.9500 . ?
C25_4 C26_4 1.3273 . ?
C26_4 H26_4 0.9500 . ?
C26_4 C27_4 1.4645 . ?
C27_4 C28_4 1.3829 . ?
C27_4 N3_4 1.3276 . ?
C28_4 C29_4 1.4123 . ?
C29_4 C30_4 1.4541 . ?
C29_4 N4_4 1.3395 . ?
C30_4 H30_4 0.9500 . ?
C30_4 C31_4 1.3022 . ?
C31_4 H31_4 0.9500 . ?
C31_4 C32_4 1.4158 . ?
C32_4 C33_4 1.3652 . ?
C32_4 N4_4 1.3992 . ?
C33_4 C34_4 1.3737 . ?
C34_4 C35_4 1.5039 . ?
C34_4 N5_4 1.3629 . ?
C35_4 H35_4 0.9500 . ?
C35_4 C36_4 1.2572 . ?
C36_4 H36_4 0.9500 . ?
C36_4 C37_4 1.4955 . ?
C37_4 C38_4 1.3549 . ?
C37_4 N5_4 1.3892 . ?
C38_4 C39_4 1.3983 . ?
C39_4 C40_4 1.4155 . ?
C39_4 N6_4 1.3599 . ?
C40_4 H40_4 0.9500 . ?
C40_4 C41_4 1.2722 . ?
C41_4 H41_4 0.9500 . ?
C41_4 C42_4 1.4208 . ?
C42_4 N6_4 1.3573 . ?
N1_5 C1_5 1.3900 . ?
N1_5 C5_5 1.3900 . ?
C1_5 H1_5 0.9500 . ?
C1_5 C2_5 1.3900 . ?
C2_5 H2_5 0.9500 . ?
C2_5 C3_5 1.3900 . ?
C3_5 C4_5 1.3900 . ?
C3_5 C23_5 1.4928 . ?
C4_5 H4_5 0.9500 . ?
C4_5 C5_5 1.3900 . ?
C5_5 H5_5 0.9500 . ?
N2_5 C6_5 1.3900 . ?
N2_5 C10_5 1.3900 . ?
C6_5 H6_5 0.9500 . ?
C6_5 C7_5 1.3900 . ?
C7_5 H7_5 0.9500 . ?
C7_5 C8_5 1.3900 . ?
C8_5 C9_5 1.3900 . ?
C8_5 C28_5 1.5064 . ?
C9_5 H9_5 0.9500 . ?
C9_5 C10_5 1.3900 . ?
C10_5 H10_5 0.9500 . ?
C11_5 C12_5 1.3900 . ?
C11_5 C16_5 1.3900 . ?
C11_5 C33_5 1.5454 . ?
C12_5 H12_5 0.9500 . ?
C12_5 C13_5 1.3900 . ?
C13_5 H13_5 0.9500 . ?
C13_5 C14_5 1.3900 . ?
C14_5 H14_5 0.9500 . ?
C14_5 C15_5 1.3900 . ?
C15_5 H15_5 0.9500 . ?
C15_5 C16_5 1.3900 . ?
C16_5 H16_5 0.9500 . ?
C17_5 C18_5 1.3900 . ?
C17_5 C22_5 1.3900 . ?
C17_5 C38_5 1.5496 . ?
C18_5 H18_5 0.9500 . ?
C18_5 C19_5 1.3900 . ?
C19_5 H19_5 0.9500 . ?
C19_5 C20_5 1.3900 . ?
C20_5 H20_5 0.9500 . ?
C20_5 C21_5 1.3900 . ?
C21_5 H21_5 0.9500 . ?
C21_5 C22_5 1.3900 . ?
C22_5 H22_5 0.9500 . ?
C23_5 C24_5 1.3943 . ?
C23_5 C42_5 1.4219 . ?
C24_5 C25_5 1.4308 . ?
C24_5 N3_5 1.3622 . ?
C25_5 H25_5 0.9500 . ?
C25_5 C26_5 1.3269 . ?
C26_5 H26_5 0.9500 . ?
C26_5 C27_5 1.4635 . ?
C27_5 C28_5 1.3823 . ?
C27_5 N3_5 1.3315 . ?
C28_5 C29_5 1.4101 . ?
C29_5 C30_5 1.4552 . ?
C29_5 N4_5 1.3401 . ?
C30_5 H30_5 0.9500 . ?
C30_5 C31_5 1.3031 . ?
C31_5 H31_5 0.9500 . ?
C31_5 C32_5 1.4194 . ?
C32_5 C33_5 1.3713 . ?
C32_5 N4_5 1.4012 . ?
C33_5 C34_5 1.3778 . ?
C34_5 C35_5 1.5035 . ?
C34_5 N5_5 1.3651 . ?
C35_5 H35_5 0.9500 . ?
C35_5 C36_5 1.2597 . ?
C36_5 H36_5 0.9500 . ?
C36_5 C37_5 1.4960 . ?
C37_5 C38_5 1.3550 . ?
C37_5 N5_5 1.3902 . ?
C38_5 C39_5 1.3911 . ?
C39_5 C40_5 1.4172 . ?
C39_5 N6_5 1.3632 . ?
C40_5 H40_5 0.9500 . ?
C40_5 C41_5 1.2685 . ?
C41_5 H41_5 0.9500 . ?
C41_5 C42_5 1.4250 . ?
C42_5 N6_5 1.3544 . ?
C1_6 C2_6 1.4954 . ?
C1_6 O1_6 1.2647 . ?
C1_6 O2_6 1.2966 . ?
N1_6 C2_6 1.3900 . ?
N1_6 C6_6 1.3900 . ?
C2_6 C3_6 1.3900 . ?
C3_6 H3_6 0.9499 . ?
C3_6 C4_6 1.3900 . ?
C4_6 C5_6 1.3900 . ?
C4_6 C8_6 1.5184 . ?
C5_6 H5_6 0.9500 . ?
C5_6 C6_6 1.3900 . ?
C6_6 C7_6 1.4968 . ?
C7_6 O3_6 1.2624 . ?
C7_6 O4_6 1.3030 . ?
C8_6 C9_6 1.3900 . ?
C8_6 C12_6 1.3900 . ?
C9_6 H9_6 0.9500 . ?
C9_6 C10_6 1.3900 . ?
C10_6 N2_6 1.3900 . ?
C10_6 C14_6 1.5012 . ?
N2_6 C11_6 1.3900 . ?
C11_6 C12_6 1.3900 . ?
C11_6 C13_6 1.4944 . ?
C12_6 H12_6 0.9500 . ?
C13_6 O7_6 1.2780 . ?
C13_6 O8_6 1.2803 . ?
C14_6 O5_6 1.2953 . ?
C14_6 O6_6 1.2645 . ?
C1_8 H1A_8 0.9900 . ?
C1_8 H1B_8 0.9900 . ?
C1_8 C2_8 1.5399 . ?
C1_8 P1_8 1.8691 . ?
C2_8 H2A_8 0.9800 . ?
C2_8 H2B_8 0.9800 . ?
C2_8 H2C_8 0.9800 . ?
C3_8 H3A_8 0.9900 . ?
C3_8 H3B_8 0.9900 . ?
C3_8 C4_8 1.5397 . ?
C3_8 P1_8 1.8719 . ?
C4_8 H4A_8 0.9800 . ?
C4_8 H4B_8 0.9800 . ?
C4_8 H4C_8 0.9800 . ?
C5_8 H5A_8 0.9900 . ?
C5_8 H5B_8 0.9900 . ?
C5_8 C6_8 1.5399 . ?
C5_8 P1_8 1.8701 . ?
C6_8 H6A_8 0.9803 . ?
C6_8 H6B_8 0.9800 . ?
C6_8 H6C_8 0.9799 . ?
C1_9 C2_9 1.4984 . ?
C1_9 O1_9 1.2704 . ?
C1_9 O2_9 1.2869 . ?
N1_9 C2_9 1.3900 . ?
N1_9 C6_9 1.3900 . ?
C2_9 C3_9 1.3900 . ?
C3_9 H3_9 0.9500 . ?
C3_9 C4_9 1.3900 . ?
C4_9 C5_9 1.3900 . ?
C4_9 C8_9 1.5197 . ?
C5_9 H5_9 0.9500 . ?
C5_9 C6_9 1.3900 . ?
C6_9 C7_9 1.4944 . ?
C7_9 O3_9 1.2603 . ?
C7_9 O4_9 1.3008 . ?
C8_9 C9_9 1.3900 . ?
C8_9 C12_9 1.3900 . ?
C9_9 H9_9 0.9500 . ?
C9_9 C10_9 1.3900 . ?
C10_9 N2_9 1.3900 . ?
C10_9 C14_9 1.4943 . ?
N2_9 C11_9 1.3900 . ?
C11_9 C12_9 1.3900 . ?
C11_9 C13_9 1.4954 . ?
C12_9 H12_9 0.9500 . ?
C13_9 O7_9 1.2841 . ?
C13_9 O8_9 1.2760 . ?
C14_9 O5_9 1.2787 . ?
C14_9 O6_9 1.2846 . ?
C1_13 H1A_13 0.9900 . ?
C1_13 H1B_13 0.9900 . ?
C1_13 C2_13 1.5400 . ?
C1_13 P1_13 1.8817 . ?
C2_13 H2A_13 0.9800 . ?
C2_13 H2B_13 0.9800 . ?
C2_13 H2C_13 0.9800 . ?
C3_13 H3A_13 0.9900 . ?
C3_13 H3B_13 0.9900 . ?
C3_13 C4_13 1.5403 . ?
C3_13 P1_13 1.8704 . ?
C4_13 H4A_13 0.9800 . ?
C4_13 H4B_13 0.9800 . ?
C4_13 H4C_13 0.9800 . ?
C5_13 H5A_13 0.9900 . ?
C5_13 H5B_13 0.9900 . ?
C5_13 C6_13 1.5400 . ?
C5_13 P1_13 1.8747 . ?
C6_13 H6A_13 0.9800 . ?
C6_13 H6B_13 0.9800 . ?
C6_13 H6C_13 0.9800 . ?
C1_14 H1A_14 0.9900 . ?
C1_14 H1B_14 0.9900 . ?
C1_14 C2_14 1.5402 . ?
C1_14 P1_14 1.8696 . ?
C2_14 H2A_14 0.9800 . ?
C2_14 H2B_14 0.9800 . ?
C2_14 H2C_14 0.9800 . ?
C3_14 H3A_14 0.9900 . ?
C3_14 H3B_14 0.9900 . ?
C3_14 C4_14 1.5395 . ?
C3_14 P1_14 1.8728 . ?
C4_14 H4A_14 0.9800 . ?
C4_14 H4B_14 0.9800 . ?
C4_14 H4C_14 0.9800 . ?
C5_14 H5A_14 0.9900 . ?
C5_14 H5B_14 0.9900 . ?
C5_14 C6_14 1.5398 . ?
C5_14 P1_14 1.8679 . ?
C6_14 H6A_14 0.9800 . ?
C6_14 H6B_14 0.9800 . ?
C6_14 H6C_14 0.9800 . ?
C1_15 H1A_15 0.9900 . ?
C1_15 H1B_15 0.9900 . ?
C1_15 C2_15 1.5402 . ?
C1_15 P1_15 1.8771 . ?
C2_15 H2A_15 0.9800 . ?
C2_15 H2B_15 0.9800 . ?
C2_15 H2C_15 0.9800 . ?
C3_15 H3A_15 0.9900 . ?
C3_15 H3B_15 0.9900 . ?
C3_15 C4_15 1.5401 . ?
C3_15 P1_15 1.8617 . ?
C4_15 H4A_15 0.9800 . ?
C4_15 H4B_15 0.9800 . ?
C4_15 H4C_15 0.9800 . ?
C5_15 H5A_15 0.9900 . ?
C5_15 H5B_15 0.9900 . ?
C5_15 C6_15 1.5401 . ?
C5_15 P1_15 1.8669 . ?
C6_15 H6A_15 0.9800 . ?
C6_15 H6B_15 0.9800 . ?
C6_15 H6C_15 0.9800 . ?
C1_16 H1A_16 0.9900 . ?
C1_16 H1B_16 0.9900 . ?
C1_16 C2_16 1.5400 . ?
C1_16 P1_16 1.8725 . ?
C2_16 H2A_16 0.9800 . ?
C2_16 H2B_16 0.9800 . ?
C2_16 H2C_16 0.9800 . ?
C3_16 H3A_16 0.9900 . ?
C3_16 H3B_16 0.9900 . ?
C3_16 C4_16 1.5395 . ?
C3_16 P1_16 1.8940 . ?
C4_16 H4A_16 0.9800 . ?
C4_16 H4B_16 0.9800 . ?
C4_16 H4C_16 0.9800 . ?
C5_16 H5A_16 0.9900 . ?
C5_16 H5B_16 0.9900 . ?
C5_16 C6_16 1.5406 . ?
C5_16 P1_16 1.8825 . ?
C6_16 H6A_16 0.9800 . ?
C6_16 H6B_16 0.9800 . ?
C6_16 H6C_16 0.9800 . ?
C1_17 H1A_17 0.9900 . ?
C1_17 H1B_17 0.9900 . ?
C1_17 C2_17 1.5401 . ?
C1_17 P1_17 1.8826 . ?
C2_17 H2A_17 0.9800 . ?
C2_17 H2B_17 0.9800 . ?
C2_17 H2C_17 0.9800 . ?
C3_17 H3A_17 0.9900 . ?
C3_17 H3B_17 0.9900 . ?
C3_17 C4_17 1.5398 . ?
C3_17 P1_17 1.8864 . ?
C4_17 H4A_17 0.9800 . ?
C4_17 H4B_17 0.9800 . ?
C4_17 H4C_17 0.9800 . ?
C5_17 H5A_17 0.9900 . ?
C5_17 H5B_17 0.9900 . ?
C5_17 C6_17 1.5402 . ?
C5_17 P1_17 1.8863 . ?
C6_17 H6A_17 0.9800 . ?
C6_17 H6B_17 0.9800 . ?
C6_17 H6C_17 0.9800 . ?
C1_18 H1A_18 0.9900 . ?
C1_18 H1B_18 0.9900 . ?
C1_18 C2_18 1.5397 . ?
C1_18 P1_18 1.8754 . ?
C2_18 H2A_18 0.9800 . ?
C2_18 H2B_18 0.9800 . ?
C2_18 H2C_18 0.9800 . ?
C3_18 H3A_18 0.9900 . ?
C3_18 H3B_18 0.9900 . ?
C3_18 C4_18 1.5404 . ?
C3_18 P1_18 1.8653 . ?
C4_18 H4A_18 0.9800 . ?
C4_18 H4B_18 0.9800 . ?
C4_18 H4C_18 0.9800 . ?
C5_18 H5A_18 0.9900 . ?
C5_18 H5B_18 0.9900 . ?
C5_18 C6_18 1.5398 . ?
C5_18 P1_18 1.8744 . ?
C6_18 H6A_18 0.9800 . ?
C6_18 H6B_18 0.9800 . ?
C6_18 H6C_18 0.9800 . ?
C1_19 H1A_19 0.9900 . ?
C1_19 H1B_19 0.9900 . ?
C1_19 C2_19 1.5401 . ?
C1_19 P1_19 1.8767 . ?
C2_19 H2A_19 0.9800 . ?
C2_19 H2B_19 0.9800 . ?
C2_19 H2C_19 0.9800 . ?
C3_19 H3A_19 0.9900 . ?
C3_19 H3B_19 0.9900 . ?
C3_19 C4_19 1.5400 . ?
C3_19 P1_19 1.8741 . ?
C4_19 H4A_19 0.9800 . ?
C4_19 H4B_19 0.9800 . ?
C4_19 H4C_19 0.9800 . ?
C5_19 H5A_19 0.9900 . ?
C5_19 H5B_19 0.9900 . ?
C5_19 C6_19 1.5401 . ?
C5_19 P1_19 1.8696 . ?
C6_19 H6A_19 0.9800 . ?
C6_19 H6B_19 0.9800 . ?
C6_19 H6C_19 0.9800 . ?
C1_20 H1A_20 0.9900 . ?
C1_20 H1B_20 0.9900 . ?
C1_20 C2_20 1.5410 . ?
C1_20 P1_20 1.8759 . ?
C2_20 H2A_20 0.9800 . ?
C2_20 H2B_20 0.9800 . ?
C2_20 H2C_20 0.9800 . ?
C3_20 H3A_20 0.9900 . ?
C3_20 H3B_20 0.9900 . ?
C3_20 C4_20 1.5400 . ?
C3_20 P1_20 1.8821 . ?
C4_20 H4A_20 0.9800 . ?
C4_20 H4B_20 0.9800 . ?
C4_20 H4C_20 0.9800 . ?
C5_20 H5A_20 0.9900 . ?
C5_20 H5B_20 0.9900 . ?
C5_20 C6_20 1.5364 . ?
C5_20 P1_20 1.8737 . ?
C6_20 H6A_20 0.9800 . ?
C6_20 H6B_20 0.9800 . ?
C6_20 H6C_20 0.9800 . ?
C1_21 H1A_21 0.9900 . ?
C1_21 H1B_21 0.9900 . ?
C1_21 C2_21 1.5399 . ?
C1_21 P1_21 1.8817 . ?
C2_21 H2A_21 0.9800 . ?
C2_21 H2B_21 0.9800 . ?
C2_21 H2C_21 0.9800 . ?
C3_21 H3A_21 0.9900 . ?
C3_21 H3B_21 0.9900 . ?
C3_21 C4_21 1.5398 . ?
C3_21 P1_21 1.8852 . ?
C4_21 H4A_21 0.9800 . ?
C4_21 H4B_21 0.9800 . ?
C4_21 H4C_21 0.9800 . ?
C5_21 H5A_21 0.9900 . ?
C5_21 H5B_21 0.9900 . ?
C5_21 C6_21 1.5401 . ?
C5_21 P1_21 1.8678 . ?
C6_21 H6A_21 0.9800 . ?
C6_21 H6B_21 0.9800 . ?
C6_21 H6C_21 0.9800 . ?
C1_22 H1A_22 0.9900 . ?
C1_22 H1B_22 0.9900 . ?
C1_22 C2_22 1.5401 . ?
C1_22 P1_22 1.8762 . ?
C2_22 H2A_22 0.9800 . ?
C2_22 H2B_22 0.9800 . ?
C2_22 H2C_22 0.9800 . ?
C3_22 H3A_22 0.9900 . ?
C3_22 H3B_22 0.9900 . ?
C3_22 C4_22 1.5399 . ?
C3_22 P1_22 1.8710 . ?
C4_22 H4A_22 0.9800 . ?
C4_22 H4B_22 0.9800 . ?
C4_22 H4C_22 0.9800 . ?
C5_22 H5A_22 0.9900 . ?
C5_22 H5B_22 0.9900 . ?
C5_22 C6_22 1.5400 . ?
C5_22 P1_22 1.8608 . ?
C6_22 H6A_22 0.9800 . ?
C6_22 H6B_22 0.9800 . ?
C6_22 H6C_22 0.9800 . ?
C1_23 H1A_23 0.9900 . ?
C1_23 H1B_23 0.9900 . ?
C1_23 C2_23 1.5401 . ?
C1_23 P1_23 1.8849 . ?
C2_23 H2A_23 0.9800 . ?
C2_23 H2B_23 0.9800 . ?
C2_23 H2C_23 0.9800 . ?
C3_23 H3A_23 0.9900 . ?
C3_23 H3B_23 0.9900 . ?
C3_23 C4_23 1.5401 . ?
C3_23 P1_23 1.8752 . ?
C4_23 H4A_23 0.9800 . ?
C4_23 H4B_23 0.9800 . ?
C4_23 H4C_23 0.9800 . ?
C5_23 H5A_23 0.9900 . ?
C5_23 H5B_23 0.9900 . ?
C5_23 C6_23 1.5398 . ?
C5_23 P1_23 1.8725 . ?
C6_23 H6A_23 0.9800 . ?
C6_23 H6B_23 0.9800 . ?
C6_23 H6C_23 0.9800 . ?
C1_24 H1A_24 0.9900 . ?
C1_24 H1B_24 0.9900 . ?
C1_24 C2_24 1.5399 . ?
C1_24 P1_24 1.8708 . ?
C2_24 H2A_24 0.9800 . ?
C2_24 H2B_24 0.9800 . ?
C2_24 H2C_24 0.9800 . ?
C3_24 H3A_24 0.9900 . ?
C3_24 H3B_24 0.9900 . ?
C3_24 C4_24 1.5398 . ?
C3_24 P1_24 1.8662 . ?
C4_24 H4A_24 0.9800 . ?
C4_24 H4B_24 0.9800 . ?
C4_24 H4C_24 0.9800 . ?
C5_24 H5A_24 0.9900 . ?
C5_24 H5B_24 0.9900 . ?
C5_24 C6_24 1.5399 . ?
C5_24 P1_24 1.8692 . ?
C6_24 H6A_24 0.9800 . ?
C6_24 H6B_24 0.9800 . ?
C6_24 H6C_24 0.9800 . ?
C1_25 H1A_25 0.9900 . ?
C1_25 H1B_25 0.9900 . ?
C1_25 C2_25 1.5412 . ?
C1_25 P1_25 1.8787 . ?
C2_25 H2A_25 0.9800 . ?
C2_25 H2B_25 0.9800 . ?
C2_25 H2C_25 0.9800 . ?
C3_25 H3A_25 0.9900 . ?
C3_25 H3B_25 0.9900 . ?
C3_25 C4_25 1.5403 . ?
C3_25 P1_25 1.8713 . ?
C4_25 H4A_25 0.9800 . ?
C4_25 H4B_25 0.9800 . ?
C4_25 H4C_25 0.9800 . ?
C5_25 H5A_25 0.9900 . ?
C5_25 H5B_25 0.9900 . ?
C5_25 C6_25 1.5398 . ?
C5_25 P1_25 1.8723 . ?
C6_25 H6A_25 0.9800 . ?
C6_25 H6B_25 0.9800 . ?
C6_25 H6C_25 0.9800 . ?
C1_26 H1A_26 0.9900 . ?
C1_26 H1B_26 0.9900 . ?
C1_26 C2_26 1.5395 . ?
C1_26 P1_26 1.8740 . ?
C2_26 H2A_26 0.9800 . ?
C2_26 H2B_26 0.9800 . ?
C2_26 H2C_26 0.9800 . ?
C3_26 H3A_26 0.9900 . ?
C3_26 H3B_26 0.9900 . ?
C3_26 C4_26 1.5397 . ?
C3_26 P1_26 1.8674 . ?
C4_26 H4A_26 0.9800 . ?
C4_26 H4B_26 0.9800 . ?
C4_26 H4C_26 0.9800 . ?
C5_26 H5A_26 0.9900 . ?
C5_26 H5B_26 0.9900 . ?
C5_26 C6_26 1.5400 . ?
C5_26 P1_26 1.8717 . ?
C6_26 H6A_26 0.9800 . ?
C6_26 H6B_26 0.9800 . ?
C6_26 H6C_26 0.9800 . ?
C1_27 H1A_27 0.9900 . ?
C1_27 H1B_27 0.9900 . ?
C1_27 C2_27 1.5402 . ?
C1_27 P1_27 1.8759 . ?
C2_27 H2A_27 0.9800 . ?
C2_27 H2B_27 0.9800 . ?
C2_27 H2C_27 0.9800 . ?
C3_27 H3A_27 0.9900 . ?
C3_27 H3B_27 0.9900 . ?
C3_27 C4_27 1.5396 . ?
C3_27 P1_27 1.8699 . ?
C4_27 H4A_27 0.9800 . ?
C4_27 H4B_27 0.9800 . ?
C4_27 H4C_27 0.9800 . ?
C5_27 H5A_27 0.9900 . ?
C5_27 H5B_27 0.9900 . ?
C5_27 C6_27 1.5397 . ?
C5_27 P1_27 1.8736 . ?
C6_27 H6A_27 0.9800 . ?
C6_27 H6B_27 0.9800 . ?
C6_27 H6C_27 0.9800 . ?
C1_28 H1A_28 0.9900 . ?
C1_28 H1B_28 0.9900 . ?
C1_28 C2_28 1.5408 . ?
C1_28 P1_28 1.8829 . ?
C2_28 H2A_28 0.9800 . ?
C2_28 H2B_28 0.9800 . ?
C2_28 H2C_28 0.9800 . ?
C3_28 H3A_28 0.9900 . ?
C3_28 H3B_28 0.9900 . ?
C3_28 C4_28 1.5402 . ?
C3_28 P1_28 1.8820 . ?
C4_28 H4A_28 0.9800 . ?
C4_28 H4B_28 0.9800 . ?
C4_28 H4C_28 0.9800 . ?
C5_28 H5A_28 0.9900 . ?
C5_28 H5B_28 0.9900 . ?
C5_28 C6_28 1.5403 . ?
C5_28 P1_28 1.8832 . ?
C6_28 H6A_28 0.9800 . ?
C6_28 H6B_28 0.9800 . ?
C6_28 H6C_28 0.9800 . ?
C1_29 H1A_29 0.9900 . ?
C1_29 H1B_29 0.9900 . ?
C1_29 C2_29 1.5397 . ?
C1_29 P1_29 1.8735 . ?
C2_29 H2A_29 0.9800 . ?
C2_29 H2B_29 0.9800 . ?
C2_29 H2C_29 0.9800 . ?
C3_29 H3A_29 0.9900 . ?
C3_29 H3B_29 0.9900 . ?
C3_29 C4_29 1.5407 . ?
C3_29 P1_29 1.8935 . ?
C4_29 H4A_29 0.9800 . ?
C4_29 H4B_29 0.9800 . ?
C4_29 H4C_29 0.9800 . ?
C5_29 H5A_29 0.9900 . ?
C5_29 H5B_29 0.9900 . ?
C5_29 C6_29 1.5403 . ?
C5_29 P1_29 1.8698 . ?
C6_29 H6A_29 0.9800 . ?
C6_29 H6B_29 0.9800 . ?
C6_29 H6C_29 0.9800 . ?
C1_7 C2_7 1.5626 . ?
C1_7 O1_7 1.1888 . ?
C1_7 O2_7 1.2703 . ?
C2_7 C3_7 1.3900 . ?
C2_7 N1_7 1.3900 . ?
C3_7 C4_7 1.3900 . ?
C3_7 H3_7 0.8820 . ?
C4_7 C5_7 1.3900 . ?
C5_7 C6_7 1.3900 . ?
C5_7 H5_7 1.0442 . ?
C6_7 N1_7 1.3900 . ?
C6_7 C7_7 1.4869 . ?
C7_7 O3_7 1.2227 . ?
C7_7 O4_7 1.3153 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2_5 Pt01 P1_14 92.5 . . ?
N2_5 Pt01 P1_15 170.2 . . ?
O6_6 Pt01 N2_5 88.1 . . ?
O6_6 Pt01 P1_14 173.6 . . ?
O6_6 Pt01 P1_15 82.3 . . ?
P1_15 Pt01 P1_14 97.3 . . ?
N2_2 Pt02 P1_8 93.2 . . ?
N2_2 Pt02 P1_13 171.7 . . ?
O3_6 Pt02 N2_2 80.2 . . ?
O3_6 Pt02 P1_8 172.0 . . ?
O3_6 Pt02 P1_13 91.6 . . ?
P1_8 Pt02 P1_13 94.8 . . ?
N1_3 Pt03 P1_18 168.5 . . ?
N1_3 Pt03 P1_19 94.7 . . ?
N1_3 Pt03 O3_7 80.5 . . ?
P1_19 Pt03 P1_18 95.7 . . ?
O3_7 Pt03 P1_18 91.1 . . ?
O3_7 Pt03 P1_19 161.8 . . ?
N1_5 Pt4 C1_6 86.8 . . ?
N1_5 Pt4 O2_6 96.6 . . ?
N1_5 Pt4 P1_23 75.1 . . ?
C1_6 Pt4 O2_6 30.3 . . ?
C1_6 Pt4 P1_23 149.9 . . ?
O1_6 Pt4 N1_5 81.6 . . ?
O1_6 Pt4 C1_6 30.2 . . ?
O1_6 Pt4 O2_6 60.4 . . ?
O1_6 Pt4 P1_22 114.8 . . ?
O1_6 Pt4 P1_23 156.1 . . ?
O2_6 Pt4 P1_23 127.3 . . ?
P1_22 Pt4 N1_5 160.1 . . ?
P1_22 Pt4 C1_6 113.1 . . ?
P1_22 Pt4 O2_6 101.4 . . ?
P1_22 Pt4 P1_23 87.1 . . ?
N1_5 Pt4A O1_6 80.2 . . ?
N1_5 Pt4A P1_22 166.8 . . ?
N1_5 Pt4A P1_23 98.5 . . ?
O1_6 Pt4A P1_22 86.8 . . ?
P1_23 Pt4A O1_6 178.7 . . ?
P1_23 Pt4A P1_22 94.5 . . ?
N2_3 Pt05 P1_16 90.5 . . ?
N2_3 Pt05 P1_17 171.4 . . ?
P1_16 Pt05 P1_17 98.0 . . ?
O1_7 Pt05 N2_3 76.7 2_656 . ?
O1_7 Pt05 P1_16 165.9 2_656 . ?
O1_7 Pt05 P1_17 95.0 2_656 . ?
N2_4 Pt06 O1_9 79.2 . . ?
N2_4 Pt06 P1_24 91.2 . . ?
N2_4 Pt06 P1_25 173.2 . . ?
P1_24 Pt06 O1_9 170.1 . . ?
P1_24 Pt06 P1_25 95.4 . . ?
P1_25 Pt06 O1_9 94.1 . . ?
N1_4 Pt7 P1_26 99.3 . . ?
N1_4 Pt7 P1_27 164.1 . . ?
O6_9 Pt7 N1_4 74.6 . . ?
O6_9 Pt7 P1_26 164.9 . . ?
O6_9 Pt7 P1_27 90.3 . . ?
P1_26 Pt7 P1_27 96.6 . . ?
O8_9 Pt7A P1_28 165.9 . . ?
O8_9 Pt7A P1_29 87.0 . . ?
P1_28 Pt7A P1_29 106.3 . . ?
N1_2 Pt08 P1_21 166.7 . . ?
O7_6 Pt08 N1_2 83.3 . . ?
O7_6 Pt08 P1_21 83.9 . . ?
P1_20 Pt08 N1_2 87.7 . . ?
P1_20 Pt08 O7_6 170.7 . . ?
P1_20 Pt08 P1_21 105.3 . . ?
C1_2 N1_2 Pt08 120.1 . . ?
C1_2 N1_2 C5_2 120.0 . . ?
C5_2 N1_2 Pt08 116.9 . . ?
N1_2 C1_2 H1_2 120.0 . . ?
C2_2 C1_2 N1_2 120.0 . . ?
C2_2 C1_2 H1_2 120.0 . . ?
C1_2 C2_2 H2_2 120.0 . . ?
C1_2 C2_2 C3_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
C2_2 C3_2 C23_2 120.8 . . ?
C4_2 C3_2 C2_2 120.0 . . ?
C4_2 C3_2 C23_2 119.2 . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C3_2 C4_2 C5_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
N1_2 C5_2 H5_2 120.0 . . ?
C4_2 C5_2 N1_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 N2_2 Pt02 116.8 . . ?
C6_2 N2_2 C10_2 120.0 . . ?
C10_2 N2_2 Pt02 122.7 . . ?
N2_2 C6_2 H6_2 120.0 . . ?
N2_2 C6_2 C7_2 120.0 . . ?
C7_2 C6_2 H6_2 120.0 . . ?
C6_2 C7_2 H7_2 120.0 . . ?
C8_2 C7_2 C6_2 120.0 . . ?
C8_2 C7_2 H7_2 120.0 . . ?
C7_2 C8_2 C9_2 120.0 . . ?
C7_2 C8_2 C28_2 119.5 . . ?
C9_2 C8_2 C28_2 120.5 . . ?
C8_2 C9_2 H9_2 120.0 . . ?
C8_2 C9_2 C10_2 120.0 . . ?
C10_2 C9_2 H9_2 120.0 . . ?
N2_2 C10_2 H10_2 120.0 . . ?
C9_2 C10_2 N2_2 120.0 . . ?
C9_2 C10_2 H10_2 120.0 . . ?
C12_2 C11_2 C16_2 120.0 . . ?
C12_2 C11_2 C33_2 123.0 . . ?
C16_2 C11_2 C33_2 117.0 . . ?
C11_2 C12_2 H12_2 120.0 . . ?
C11_2 C12_2 C13_2 120.0 . . ?
C13_2 C12_2 H12_2 120.0 . . ?
C12_2 C13_2 H13_2 120.0 . . ?
C14_2 C13_2 C12_2 120.0 . . ?
C14_2 C13_2 H13_2 120.0 . . ?
C13_2 C14_2 H14_2 120.0 . . ?
C15_2 C14_2 C13_2 120.0 . . ?
C15_2 C14_2 H14_2 120.0 . . ?
C14_2 C15_2 H15_2 120.0 . . ?
C16_2 C15_2 C14_2 120.0 . . ?
C16_2 C15_2 H15_2 120.0 . . ?
C11_2 C16_2 H16_2 120.0 . . ?
C15_2 C16_2 C11_2 120.0 . . ?
C15_2 C16_2 H16_2 120.0 . . ?
C18_2 C17_2 C38_2 121.2 . . ?
C22_2 C17_2 C18_2 120.0 . . ?
C22_2 C17_2 C38_2 118.7 . . ?
C17_2 C18_2 H18_2 120.0 . . ?
C19_2 C18_2 C17_2 120.0 . . ?
C19_2 C18_2 H18_2 120.0 . . ?
C18_2 C19_2 H19_2 120.0 . . ?
C18_2 C19_2 C20_2 120.0 . . ?
C20_2 C19_2 H19_2 120.0 . . ?
C19_2 C20_2 H20_2 120.0 . . ?
C21_2 C20_2 C19_2 120.0 . . ?
C21_2 C20_2 H20_2 120.0 . . ?
C20_2 C21_2 H21_2 120.0 . . ?
C20_2 C21_2 C22_2 120.0 . . ?
C22_2 C21_2 H21_2 120.0 . . ?
C17_2 C22_2 H22_2 120.0 . . ?
C21_2 C22_2 C17_2 120.0 . . ?
C21_2 C22_2 H22_2 120.0 . . ?
C24_2 C23_2 C3_2 115.9 . . ?
C24_2 C23_2 C42_2 127.9 . . ?
C42_2 C23_2 C3_2 116.0 . . ?
C23_2 C24_2 C25_2 127.5 . . ?
N3_2 C24_2 C23_2 124.3 . . ?
N3_2 C24_2 C25_2 108.1 . . ?
C24_2 C25_2 H25_2 125.6 . . ?
C26_2 C25_2 C24_2 108.7 . . ?
C26_2 C25_2 H25_2 125.6 . . ?
C25_2 C26_2 H26_2 127.0 . . ?
C25_2 C26_2 C27_2 106.0 . . ?
C27_2 C26_2 H26_2 127.0 . . ?
C28_2 C27_2 C26_2 124.0 . . ?
N3_2 C27_2 C26_2 108.9 . . ?
N3_2 C27_2 C28_2 127.1 . . ?
C27_2 C28_2 C8_2 116.9 . . ?
C27_2 C28_2 C29_2 126.2 . . ?
C29_2 C28_2 C8_2 116.8 . . ?
C28_2 C29_2 C30_2 125.5 . . ?
N4_2 C29_2 C28_2 125.2 . . ?
N4_2 C29_2 C30_2 109.3 . . ?
C29_2 C30_2 H30_2 127.6 . . ?
C31_2 C30_2 C29_2 104.8 . . ?
C31_2 C30_2 H30_2 127.6 . . ?
C30_2 C31_2 H31_2 123.8 . . ?
C30_2 C31_2 C32_2 112.3 . . ?
C32_2 C31_2 H31_2 123.8 . . ?
C33_2 C32_2 C31_2 129.8 . . ?
C33_2 C32_2 N4_2 125.3 . . ?
N4_2 C32_2 C31_2 104.9 . . ?
C32_2 C33_2 C11_2 116.4 . . ?
C32_2 C33_2 C34_2 126.3 . . ?
C34_2 C33_2 C11_2 117.2 . . ?
C33_2 C34_2 C35_2 124.6 . . ?
N5_2 C34_2 C33_2 128.4 . . ?
N5_2 C34_2 C35_2 107.0 . . ?
C34_2 C35_2 H35_2 126.1 . . ?
C36_2 C35_2 C34_2 107.8 . . ?
C36_2 C35_2 H35_2 126.1 . . ?
C35_2 C36_2 H36_2 124.7 . . ?
C35_2 C36_2 C37_2 110.6 . . ?
C37_2 C36_2 H36_2 124.7 . . ?
C38_2 C37_2 C36_2 130.4 . . ?
C38_2 C37_2 N5_2 124.2 . . ?
N5_2 C37_2 C36_2 105.2 . . ?
C37_2 C38_2 C17_2 116.5 . . ?
C37_2 C38_2 C39_2 127.7 . . ?
C39_2 C38_2 C17_2 115.8 . . ?
C38_2 C39_2 C40_2 127.9 . . ?
N6_2 C39_2 C38_2 125.3 . . ?
N6_2 C39_2 C40_2 106.7 . . ?
C39_2 C40_2 H40_2 124.4 . . ?
C41_2 C40_2 C39_2 111.1 . . ?
C41_2 C40_2 H40_2 124.4 . . ?
C40_2 C41_2 H41_2 127.1 . . ?
C40_2 C41_2 C42_2 105.8 . . ?
C42_2 C41_2 H41_2 127.1 . . ?
C41_2 C42_2 C23_2 126.7 . . ?
N6_2 C42_2 C23_2 123.4 . . ?
N6_2 C42_2 C41_2 109.9 . . ?
C27_2 N3_2 C24_2 108.2 . . ?
C29_2 N4_2 C32_2 108.6 . . ?
C34_2 N5_2 C37_2 109.3 . . ?
C42_2 N6_2 C39_2 106.4 . . ?
C1_3 N1_3 Pt03 121.2 . . ?
C1_3 N1_3 C5_3 120.0 . . ?
C5_3 N1_3 Pt03 118.3 . . ?
N1_3 C1_3 H1_3 120.0 . . ?
C2_3 C1_3 N1_3 120.0 . . ?
C2_3 C1_3 H1_3 120.0 . . ?
C1_3 C2_3 H2_3 120.0 . . ?
C1_3 C2_3 C3_3 120.0 . . ?
C3_3 C2_3 H2_3 120.0 . . ?
C2_3 C3_3 C23_3 120.7 . . ?
C4_3 C3_3 C2_3 120.0 . . ?
C4_3 C3_3 C23_3 119.2 . . ?
C3_3 C4_3 H4_3 120.0 . . ?
C3_3 C4_3 C5_3 120.0 . . ?
C5_3 C4_3 H4_3 120.0 . . ?
N1_3 C5_3 H5_3 120.0 . . ?
C4_3 C5_3 N1_3 120.0 . . ?
C4_3 C5_3 H5_3 120.0 . . ?
C6_3 N2_3 Pt05 115.0 . . ?
C6_3 N2_3 C10_3 120.0 . . ?
C10_3 N2_3 Pt05 122.3 . . ?
N2_3 C6_3 H6_3 120.0 . . ?
N2_3 C6_3 C7_3 120.0 . . ?
C7_3 C6_3 H6_3 120.0 . . ?
C6_3 C7_3 H7_3 120.0 . . ?
C8_3 C7_3 C6_3 120.0 . . ?
C8_3 C7_3 H7_3 120.0 . . ?
C7_3 C8_3 C9_3 120.0 . . ?
C7_3 C8_3 C28_3 119.2 . . ?
C9_3 C8_3 C28_3 120.8 . . ?
C8_3 C9_3 H9_3 120.0 . . ?
C10_3 C9_3 C8_3 120.0 . . ?
C10_3 C9_3 H9_3 120.0 . . ?
N2_3 C10_3 H10_3 120.0 . . ?
C9_3 C10_3 N2_3 120.0 . . ?
C9_3 C10_3 H10_3 120.0 . . ?
C12_3 C11_3 C16_3 120.0 . . ?
C12_3 C11_3 C33_3 122.6 . . ?
C16_3 C11_3 C33_3 117.3 . . ?
C11_3 C12_3 H12_3 120.0 . . ?
C11_3 C12_3 C13_3 120.0 . . ?
C13_3 C12_3 H12_3 120.0 . . ?
C12_3 C13_3 H13_3 120.0 . . ?
C14_3 C13_3 C12_3 120.0 . . ?
C14_3 C13_3 H13_3 120.0 . . ?
C13_3 C14_3 H14_3 120.0 . . ?
C13_3 C14_3 C15_3 120.0 . . ?
C15_3 C14_3 H14_3 120.0 . . ?
C14_3 C15_3 H15_3 120.0 . . ?
C16_3 C15_3 C14_3 120.0 . . ?
C16_3 C15_3 H15_3 120.0 . . ?
C11_3 C16_3 H16_3 120.0 . . ?
C15_3 C16_3 C11_3 120.0 . . ?
C15_3 C16_3 H16_3 120.0 . . ?
C18_3 C17_3 C22_3 120.0 . . ?
C18_3 C17_3 C38_3 119.5 . . ?
C22_3 C17_3 C38_3 120.5 . . ?
C17_3 C18_3 H18_3 120.0 . . ?
C19_3 C18_3 C17_3 120.0 . . ?
C19_3 C18_3 H18_3 120.0 . . ?
C18_3 C19_3 H19_3 120.0 . . ?
C20_3 C19_3 C18_3 120.0 . . ?
C20_3 C19_3 H19_3 120.0 . . ?
C19_3 C20_3 H20_3 120.0 . . ?
C19_3 C20_3 C21_3 120.0 . . ?
C21_3 C20_3 H20_3 120.0 . . ?
C20_3 C21_3 H21_3 120.0 . . ?
C20_3 C21_3 C22_3 120.0 . . ?
C22_3 C21_3 H21_3 120.0 . . ?
C17_3 C22_3 H22_3 120.0 . . ?
C21_3 C22_3 C17_3 120.0 . . ?
C21_3 C22_3 H22_3 120.0 . . ?
C24_3 C23_3 C3_3 116.0 . . ?
C24_3 C23_3 C42_3 127.3 . . ?
C42_3 C23_3 C3_3 116.7 . . ?
C23_3 C24_3 C25_3 126.5 . . ?
N3_3 C24_3 C23_3 125.2 . . ?
N3_3 C24_3 C25_3 108.3 . . ?
C24_3 C25_3 H25_3 125.8 . . ?
C26_3 C25_3 C24_3 108.5 . . ?
C26_3 C25_3 H25_3 125.8 . . ?
C25_3 C26_3 H26_3 127.1 . . ?
C25_3 C26_3 C27_3 105.9 . . ?
C27_3 C26_3 H26_3 127.1 . . ?
C28_3 C27_3 C26_3 123.3 . . ?
N3_3 C27_3 C26_3 109.2 . . ?
N3_3 C27_3 C28_3 127.5 . . ?
C27_3 C28_3 C8_3 117.4 . . ?
C27_3 C28_3 C29_3 125.5 . . ?
C29_3 C28_3 C8_3 116.7 . . ?
C28_3 C29_3 C30_3 125.7 . . ?
N4_3 C29_3 C28_3 124.5 . . ?
N4_3 C29_3 C30_3 109.7 . . ?
C29_3 C30_3 H30_3 128.0 . . ?
C31_3 C30_3 C29_3 104.1 . . ?
C31_3 C30_3 H30_3 128.0 . . ?
C30_3 C31_3 H31_3 123.3 . . ?
C30_3 C31_3 C32_3 113.4 . . ?
C32_3 C31_3 H31_3 123.3 . . ?
C33_3 C32_3 C31_3 131.0 . . ?
C33_3 C32_3 N4_3 124.8 . . ?
N4_3 C32_3 C31_3 104.1 . . ?
C32_3 C33_3 C11_3 116.1 . . ?
C32_3 C33_3 C34_3 126.9 . . ?
C34_3 C33_3 C11_3 116.6 . . ?
C33_3 C34_3 C35_3 125.1 . . ?
N5_3 C34_3 C33_3 126.9 . . ?
N5_3 C34_3 C35_3 106.6 . . ?
C34_3 C35_3 H35_3 126.1 . . ?
C36_3 C35_3 C34_3 107.7 . . ?
C36_3 C35_3 H35_3 126.1 . . ?
C35_3 C36_3 H36_3 124.8 . . ?
C35_3 C36_3 C37_3 110.4 . . ?
C37_3 C36_3 H36_3 124.8 . . ?
C38_3 C37_3 C36_3 129.2 . . ?
C38_3 C37_3 N5_3 125.7 . . ?
N5_3 C37_3 C36_3 104.9 . . ?
C37_3 C38_3 C17_3 115.1 . . ?
C37_3 C38_3 C39_3 127.4 . . ?
C39_3 C38_3 C17_3 117.5 . . ?
C38_3 C39_3 C40_3 127.6 . . ?
N6_3 C39_3 C38_3 124.9 . . ?
N6_3 C39_3 C40_3 107.2 . . ?
C39_3 C40_3 H40_3 124.4 . . ?
C41_3 C40_3 C39_3 111.1 . . ?
C41_3 C40_3 H40_3 124.4 . . ?
C40_3 C41_3 H41_3 126.9 . . ?
C40_3 C41_3 C42_3 106.2 . . ?
C42_3 C41_3 H41_3 126.9 . . ?
C41_3 C42_3 C23_3 127.3 . . ?
N6_3 C42_3 C23_3 123.2 . . ?
N6_3 C42_3 C41_3 109.5 . . ?
C27_3 N3_3 C24_3 108.2 . . ?
C29_3 N4_3 C32_3 108.6 . . ?
C34_3 N5_3 C37_3 109.4 . . ?
C42_3 N6_3 C39_3 105.8 . . ?
C1_4 N1_4 Pt7 117.8 . . ?
C1_4 N1_4 C5_4 120.0 . . ?
C5_4 N1_4 Pt7 122.1 . . ?
N1_4 C1_4 H1_4 120.0 . . ?
C2_4 C1_4 N1_4 120.0 . . ?
C2_4 C1_4 H1_4 120.0 . . ?
C1_4 C2_4 H2_4 120.0 . . ?
C3_4 C2_4 C1_4 120.0 . . ?
C3_4 C2_4 H2_4 120.0 . . ?
C2_4 C3_4 C23_4 121.3 . . ?
C4_4 C3_4 C2_4 120.0 . . ?
C4_4 C3_4 C23_4 118.7 . . ?
C3_4 C4_4 H4_4 120.0 . . ?
C3_4 C4_4 C5_4 120.0 . . ?
C5_4 C4_4 H4_4 120.0 . . ?
N1_4 C5_4 H5_4 120.0 . . ?
C4_4 C5_4 N1_4 120.0 . . ?
C4_4 C5_4 H5_4 120.0 . . ?
C6_4 N2_4 Pt06 122.5 . . ?
C6_4 N2_4 C10_4 120.0 . . ?
C10_4 N2_4 Pt06 115.9 . . ?
N2_4 C6_4 H6_4 120.0 . . ?
C7_4 C6_4 N2_4 120.0 . . ?
C7_4 C6_4 H6_4 120.0 . . ?
C6_4 C7_4 H7_4 120.0 . . ?
C8_4 C7_4 C6_4 120.0 . . ?
C8_4 C7_4 H7_4 120.0 . . ?
C7_4 C8_4 C9_4 120.0 . . ?
C7_4 C8_4 C28_4 119.9 . . ?
C9_4 C8_4 C28_4 119.9 . . ?
C8_4 C9_4 H9_4 120.0 . . ?
C8_4 C9_4 C10_4 120.0 . . ?
C10_4 C9_4 H9_4 120.0 . . ?
N2_4 C10_4 H10_4 120.0 . . ?
C9_4 C10_4 N2_4 120.0 . . ?
C9_4 C10_4 H10_4 120.0 . . ?
C12_4 C11_4 C16_4 120.0 . . ?
C12_4 C11_4 C33_4 122.9 . . ?
C16_4 C11_4 C33_4 117.1 . . ?
C11_4 C12_4 H12_4 120.0 . . ?
C13_4 C12_4 C11_4 120.0 . . ?
C13_4 C12_4 H12_4 120.0 . . ?
C12_4 C13_4 H13_4 120.0 . . ?
C14_4 C13_4 C12_4 120.0 . . ?
C14_4 C13_4 H13_4 120.0 . . ?
C13_4 C14_4 H14_4 120.0 . . ?
C13_4 C14_4 C15_4 120.0 . . ?
C15_4 C14_4 H14_4 120.0 . . ?
C14_4 C15_4 H15_4 120.0 . . ?
C16_4 C15_4 C14_4 120.0 . . ?
C16_4 C15_4 H15_4 120.0 . . ?
C11_4 C16_4 H16_4 120.0 . . ?
C15_4 C16_4 C11_4 120.0 . . ?
C15_4 C16_4 H16_4 120.0 . . ?
C18_4 C17_4 C22_4 120.0 . . ?
C18_4 C17_4 C38_4 118.6 . . ?
C22_4 C17_4 C38_4 121.3 . . ?
C17_4 C18_4 H18_4 120.0 . . ?
C17_4 C18_4 C19_4 120.0 . . ?
C19_4 C18_4 H18_4 120.0 . . ?
C18_4 C19_4 H19_4 120.0 . . ?
C20_4 C19_4 C18_4 120.0 . . ?
C20_4 C19_4 H19_4 120.0 . . ?
C19_4 C20_4 H20_4 120.0 . . ?
C19_4 C20_4 C21_4 120.0 . . ?
C21_4 C20_4 H20_4 120.0 . . ?
C20_4 C21_4 H21_4 120.0 . . ?
C22_4 C21_4 C20_4 120.0 . . ?
C22_4 C21_4 H21_4 120.0 . . ?
C17_4 C22_4 H22_4 120.0 . . ?
C21_4 C22_4 C17_4 120.0 . . ?
C21_4 C22_4 H22_4 120.0 . . ?
C24_4 C23_4 C3_4 116.4 . . ?
C24_4 C23_4 C42_4 127.5 . . ?
C42_4 C23_4 C3_4 115.6 . . ?
C23_4 C24_4 C25_4 126.9 . . ?
N3_4 C24_4 C23_4 124.9 . . ?
N3_4 C24_4 C25_4 108.0 . . ?
C24_4 C25_4 H25_4 125.7 . . ?
C26_4 C25_4 C24_4 108.6 . . ?
C26_4 C25_4 H25_4 125.7 . . ?
C25_4 C26_4 H26_4 127.1 . . ?
C25_4 C26_4 C27_4 105.9 . . ?
C27_4 C26_4 H26_4 127.1 . . ?
C28_4 C27_4 C26_4 124.1 . . ?
N3_4 C27_4 C26_4 109.0 . . ?
N3_4 C27_4 C28_4 126.9 . . ?
C27_4 C28_4 C8_4 117.0 . . ?
C27_4 C28_4 C29_4 126.0 . . ?
C29_4 C28_4 C8_4 116.9 . . ?
C28_4 C29_4 C30_4 125.7 . . ?
N4_4 C29_4 C28_4 125.0 . . ?
N4_4 C29_4 C30_4 109.2 . . ?
C29_4 C30_4 H30_4 127.6 . . ?
C31_4 C30_4 C29_4 104.8 . . ?
C31_4 C30_4 H30_4 127.6 . . ?
C30_4 C31_4 H31_4 123.6 . . ?
C30_4 C31_4 C32_4 112.7 . . ?
C32_4 C31_4 H31_4 123.6 . . ?
C33_4 C32_4 C31_4 129.8 . . ?
C33_4 C32_4 N4_4 125.6 . . ?
N4_4 C32_4 C31_4 104.6 . . ?
C32_4 C33_4 C11_4 115.8 . . ?
C32_4 C33_4 C34_4 126.5 . . ?
C34_4 C33_4 C11_4 117.8 . . ?
C33_4 C34_4 C35_4 124.5 . . ?
N5_4 C34_4 C33_4 127.8 . . ?
N5_4 C34_4 C35_4 107.6 . . ?
C34_4 C35_4 H35_4 126.3 . . ?
C36_4 C35_4 C34_4 107.3 . . ?
C36_4 C35_4 H35_4 126.3 . . ?
C35_4 C36_4 H36_4 124.6 . . ?
C35_4 C36_4 C37_4 110.9 . . ?
C37_4 C36_4 H36_4 124.6 . . ?
C38_4 C37_4 C36_4 130.1 . . ?
C38_4 C37_4 N5_4 124.5 . . ?
N5_4 C37_4 C36_4 105.3 . . ?
C37_4 C38_4 C17_4 116.7 . . ?
C37_4 C38_4 C39_4 127.5 . . ?
C39_4 C38_4 C17_4 115.8 . . ?
C38_4 C39_4 C40_4 128.0 . . ?
N6_4 C39_4 C38_4 124.7 . . ?
N6_4 C39_4 C40_4 107.0 . . ?
C39_4 C40_4 H40_4 124.6 . . ?
C41_4 C40_4 C39_4 110.7 . . ?
C41_4 C40_4 H40_4 124.6 . . ?
C40_4 C41_4 H41_4 127.1 . . ?
C40_4 C41_4 C42_4 105.8 . . ?
C42_4 C41_4 H41_4 127.1 . . ?
C41_4 C42_4 C23_4 126.7 . . ?
N6_4 C42_4 C23_4 123.3 . . ?
N6_4 C42_4 C41_4 109.4 . . ?
C27_4 N3_4 C24_4 108.5 . . ?
C29_4 N4_4 C32_4 108.6 . . ?
C34_4 N5_4 C37_4 108.8 . . ?
C42_4 N6_4 C39_4 106.1 . . ?
C1_5 N1_5 Pt4 117.8 . . ?
C1_5 N1_5 Pt4A 123.6 . . ?
C1_5 N1_5 C5_5 120.0 . . ?
C5_5 N1_5 Pt4 118.2 . . ?
C5_5 N1_5 Pt4A 116.1 . . ?
N1_5 C1_5 H1_5 120.0 . . ?
N1_5 C1_5 C2_5 120.0 . . ?
C2_5 C1_5 H1_5 120.0 . . ?
C1_5 C2_5 H2_5 120.0 . . ?
C1_5 C2_5 C3_5 120.0 . . ?
C3_5 C2_5 H2_5 120.0 . . ?
C2_5 C3_5 C23_5 120.7 . . ?
C4_5 C3_5 C2_5 120.0 . . ?
C4_5 C3_5 C23_5 119.2 . . ?
C3_5 C4_5 H4_5 120.0 . . ?
C3_5 C4_5 C5_5 120.0 . . ?
C5_5 C4_5 H4_5 120.0 . . ?
N1_5 C5_5 H5_5 120.0 . . ?
C4_5 C5_5 N1_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
C6_5 N2_5 Pt01 119.8 . . ?
C6_5 N2_5 C10_5 120.0 . . ?
C10_5 N2_5 Pt01 119.2 . . ?
N2_5 C6_5 H6_5 120.0 . . ?
C7_5 C6_5 N2_5 120.0 . . ?
C7_5 C6_5 H6_5 120.0 . . ?
C6_5 C7_5 H7_5 120.0 . . ?
C6_5 C7_5 C8_5 120.0 . . ?
C8_5 C7_5 H7_5 120.0 . . ?
C7_5 C8_5 C28_5 120.9 . . ?
C9_5 C8_5 C7_5 120.0 . . ?
C9_5 C8_5 C28_5 119.0 . . ?
C8_5 C9_5 H9_5 120.0 . . ?
C8_5 C9_5 C10_5 120.0 . . ?
C10_5 C9_5 H9_5 120.0 . . ?
N2_5 C10_5 H10_5 120.0 . . ?
C9_5 C10_5 N2_5 120.0 . . ?
C9_5 C10_5 H10_5 120.0 . . ?
C12_5 C11_5 C16_5 120.0 . . ?
C12_5 C11_5 C33_5 122.5 . . ?
C16_5 C11_5 C33_5 117.4 . . ?
C11_5 C12_5 H12_5 120.0 . . ?
C13_5 C12_5 C11_5 120.0 . . ?
C13_5 C12_5 H12_5 120.0 . . ?
C12_5 C13_5 H13_5 120.0 . . ?
C12_5 C13_5 C14_5 120.0 . . ?
C14_5 C13_5 H13_5 120.0 . . ?
C13_5 C14_5 H14_5 120.0 . . ?
C13_5 C14_5 C15_5 120.0 . . ?
C15_5 C14_5 H14_5 120.0 . . ?
C14_5 C15_5 H15_5 120.0 . . ?
C16_5 C15_5 C14_5 120.0 . . ?
C16_5 C15_5 H15_5 120.0 . . ?
C11_5 C16_5 H16_5 120.0 . . ?
C15_5 C16_5 C11_5 120.0 . . ?
C15_5 C16_5 H16_5 120.0 . . ?
C18_5 C17_5 C22_5 120.0 . . ?
C18_5 C17_5 C38_5 119.2 . . ?
C22_5 C17_5 C38_5 120.7 . . ?
C17_5 C18_5 H18_5 120.0 . . ?
C19_5 C18_5 C17_5 120.0 . . ?
C19_5 C18_5 H18_5 120.0 . . ?
C18_5 C19_5 H19_5 120.0 . . ?
C18_5 C19_5 C20_5 120.0 . . ?
C20_5 C19_5 H19_5 120.0 . . ?
C19_5 C20_5 H20_5 120.0 . . ?
C21_5 C20_5 C19_5 120.0 . . ?
C21_5 C20_5 H20_5 120.0 . . ?
C20_5 C21_5 H21_5 120.0 . . ?
C20_5 C21_5 C22_5 120.0 . . ?
C22_5 C21_5 H21_5 120.0 . . ?
C17_5 C22_5 H22_5 120.0 . . ?
C21_5 C22_5 C17_5 120.0 . . ?
C21_5 C22_5 H22_5 120.0 . . ?
C24_5 C23_5 C3_5 115.6 . . ?
C24_5 C23_5 C42_5 127.7 . . ?
C42_5 C23_5 C3_5 116.6 . . ?
C23_5 C24_5 C25_5 127.1 . . ?
N3_5 C24_5 C23_5 124.6 . . ?
N3_5 C24_5 C25_5 108.2 . . ?
C24_5 C25_5 H25_5 125.8 . . ?
C26_5 C25_5 C24_5 108.3 . . ?
C26_5 C25_5 H25_5 125.8 . . ?
C25_5 C26_5 H26_5 127.0 . . ?
C25_5 C26_5 C27_5 106.0 . . ?
C27_5 C26_5 H26_5 127.0 . . ?
C28_5 C27_5 C26_5 124.1 . . ?
N3_5 C27_5 C26_5 108.9 . . ?
N3_5 C27_5 C28_5 127.1 . . ?
C27_5 C28_5 C8_5 117.7 . . ?
C27_5 C28_5 C29_5 125.7 . . ?
C29_5 C28_5 C8_5 116.6 . . ?
C28_5 C29_5 C30_5 124.6 . . ?
N4_5 C29_5 C28_5 125.5 . . ?
N4_5 C29_5 C30_5 109.8 . . ?
C29_5 C30_5 H30_5 127.9 . . ?
C31_5 C30_5 C29_5 104.2 . . ?
C31_5 C30_5 H30_5 127.9 . . ?
C30_5 C31_5 H31_5 123.5 . . ?
C30_5 C31_5 C32_5 113.0 . . ?
C32_5 C31_5 H31_5 123.5 . . ?
C33_5 C32_5 C31_5 129.7 . . ?
C33_5 C32_5 N4_5 125.6 . . ?
N4_5 C32_5 C31_5 104.6 . . ?
C32_5 C33_5 C11_5 115.8 . . ?
C32_5 C33_5 C34_5 125.4 . . ?
C34_5 C33_5 C11_5 118.7 . . ?
C33_5 C34_5 C35_5 126.1 . . ?
N5_5 C34_5 C33_5 127.1 . . ?
N5_5 C34_5 C35_5 106.9 . . ?
C34_5 C35_5 H35_5 125.8 . . ?
C36_5 C35_5 C34_5 108.4 . . ?
C36_5 C35_5 H35_5 125.8 . . ?
C35_5 C36_5 H36_5 125.0 . . ?
C35_5 C36_5 C37_5 109.9 . . ?
C37_5 C36_5 H36_5 125.0 . . ?
C38_5 C37_5 C36_5 127.8 . . ?
C38_5 C37_5 N5_5 126.0 . . ?
N5_5 C37_5 C36_5 105.6 . . ?
C37_5 C38_5 C17_5 114.7 . . ?
C37_5 C38_5 C39_5 127.9 . . ?
C39_5 C38_5 C17_5 117.4 . . ?
C38_5 C39_5 C40_5 128.7 . . ?
N6_5 C39_5 C38_5 124.0 . . ?
N6_5 C39_5 C40_5 107.0 . . ?
C39_5 C40_5 H40_5 124.5 . . ?
C41_5 C40_5 C39_5 111.0 . . ?
C41_5 C40_5 H40_5 124.5 . . ?
C40_5 C41_5 H41_5 127.1 . . ?
C40_5 C41_5 C42_5 105.9 . . ?
C42_5 C41_5 H41_5 127.1 . . ?
C23_5 C42_5 C41_5 126.3 . . ?
N6_5 C42_5 C23_5 123.8 . . ?
N6_5 C42_5 C41_5 109.9 . . ?
C27_5 N3_5 C24_5 108.4 . . ?
C29_5 N4_5 C32_5 107.9 . . ?
C34_5 N5_5 C37_5 109.1 . . ?
C42_5 N6_5 C39_5 105.9 . . ?
C2_6 C1_6 Pt4 164.1 . . ?
O1_6 C1_6 Pt4 45.0 . . ?
O1_6 C1_6 C2_6 119.2 . . ?
O1_6 C1_6 O2_6 123.0 . . ?
O2_6 C1_6 Pt4 78.5 . . ?
O2_6 C1_6 C2_6 117.0 . . ?
C6_6 N1_6 C2_6 120.0 . . ?
N1_6 C2_6 C1_6 118.0 . . ?
C3_6 C2_6 C1_6 122.0 . . ?
C3_6 C2_6 N1_6 120.0 . . ?
C2_6 C3_6 H3_6 120.0 . . ?
C4_6 C3_6 C2_6 120.0 . . ?
C4_6 C3_6 H3_6 120.0 . . ?
C3_6 C4_6 C5_6 120.0 . . ?
C3_6 C4_6 C8_6 120.3 . . ?
C5_6 C4_6 C8_6 119.7 . . ?
C4_6 C5_6 H5_6 120.0 . . ?
C6_6 C5_6 C4_6 120.0 . . ?
C6_6 C5_6 H5_6 120.0 . . ?
N1_6 C6_6 C7_6 117.7 . . ?
C5_6 C6_6 N1_6 120.0 . . ?
C5_6 C6_6 C7_6 122.3 . . ?
O3_6 C7_6 C6_6 119.2 . . ?
O3_6 C7_6 O4_6 122.3 . . ?
O4_6 C7_6 C6_6 116.5 . . ?
C9_6 C8_6 C4_6 119.5 . . ?
C9_6 C8_6 C12_6 120.0 . . ?
C12_6 C8_6 C4_6 120.5 . . ?
C8_6 C9_6 H9_6 120.0 . . ?
C8_6 C9_6 C10_6 120.0 . . ?
C10_6 C9_6 H9_6 120.0 . . ?
C9_6 C10_6 C14_6 119.3 . . ?
N2_6 C10_6 C9_6 120.0 . . ?
N2_6 C10_6 C14_6 120.7 . . ?
C10_6 N2_6 C11_6 120.0 . . ?
N2_6 C11_6 C12_6 120.0 . . ?
N2_6 C11_6 C13_6 119.8 . . ?
C12_6 C11_6 C13_6 120.2 . . ?
C8_6 C12_6 H12_6 120.0 . . ?
C11_6 C12_6 C8_6 120.0 . . ?
C11_6 C12_6 H12_6 120.0 . . ?
O7_6 C13_6 C11_6 119.4 . . ?
O7_6 C13_6 O8_6 122.7 . . ?
O8_6 C13_6 C11_6 117.9 . . ?
O5_6 C14_6 C10_6 115.5 . . ?
O6_6 C14_6 C10_6 123.1 . . ?
O6_6 C14_6 O5_6 121.1 . . ?
C1_6 O1_6 Pt4 104.8 . . ?
C1_6 O1_6 Pt4A 109.8 . . ?
C1_6 O2_6 Pt4 71.2 . . ?
C7_6 O3_6 Pt02 111.0 . . ?
C14_6 O6_6 Pt01 117.8 . . ?
C13_6 O7_6 Pt08 109.8 . . ?
H1A_8 C1_8 H1B_8 108.1 . . ?
C2_8 C1_8 H1A_8 109.5 . . ?
C2_8 C1_8 H1B_8 109.5 . . ?
C2_8 C1_8 P1_8 110.5 . . ?
P1_8 C1_8 H1A_8 109.5 . . ?
P1_8 C1_8 H1B_8 109.5 . . ?
C1_8 C2_8 H2A_8 109.5 . . ?
C1_8 C2_8 H2B_8 109.5 . . ?
C1_8 C2_8 H2C_8 109.5 . . ?
H2A_8 C2_8 H2B_8 109.5 . . ?
H2A_8 C2_8 H2C_8 109.5 . . ?
H2B_8 C2_8 H2C_8 109.5 . . ?
H3A_8 C3_8 H3B_8 107.8 . . ?
C4_8 C3_8 H3A_8 109.0 . . ?
C4_8 C3_8 H3B_8 109.0 . . ?
C4_8 C3_8 P1_8 113.0 . . ?
P1_8 C3_8 H3A_8 109.0 . . ?
P1_8 C3_8 H3B_8 109.0 . . ?
C3_8 C4_8 H4A_8 109.5 . . ?
C3_8 C4_8 H4B_8 109.5 . . ?
C3_8 C4_8 H4C_8 109.5 . . ?
H4A_8 C4_8 H4B_8 109.5 . . ?
H4A_8 C4_8 H4C_8 109.5 . . ?
H4B_8 C4_8 H4C_8 109.5 . . ?
H5A_8 C5_8 H5B_8 108.4 . . ?
C6_8 C5_8 H5A_8 110.0 . . ?
C6_8 C5_8 H5B_8 110.0 . . ?
C6_8 C5_8 P1_8 108.5 . . ?
P1_8 C5_8 H5A_8 110.0 . . ?
P1_8 C5_8 H5B_8 110.0 . . ?
C5_8 C6_8 H6A_8 109.5 . . ?
C5_8 C6_8 H6B_8 109.5 . . ?
C5_8 C6_8 H6C_8 109.5 . . ?
H6A_8 C6_8 H6B_8 109.5 . . ?
H6A_8 C6_8 H6C_8 109.5 . . ?
H6B_8 C6_8 H6C_8 109.5 . . ?
C1_8 P1_8 Pt02 110.4 . . ?
C1_8 P1_8 C3_8 103.3 . . ?
C1_8 P1_8 C5_8 103.2 . . ?
C3_8 P1_8 Pt02 112.7 . . ?
C5_8 P1_8 Pt02 122.0 . . ?
C5_8 P1_8 C3_8 103.3 . . ?
O1_9 C1_9 C2_9 118.6 . . ?
O1_9 C1_9 O2_9 123.0 . . ?
O2_9 C1_9 C2_9 117.5 . . ?
C2_9 N1_9 C6_9 120.0 . . ?
N1_9 C2_9 C1_9 118.5 . . ?
C3_9 C2_9 C1_9 121.5 . . ?
C3_9 C2_9 N1_9 120.0 . . ?
C2_9 C3_9 H3_9 120.0 . . ?
C2_9 C3_9 C4_9 120.0 . . ?
C4_9 C3_9 H3_9 120.0 . . ?
C3_9 C4_9 C5_9 120.0 . . ?
C3_9 C4_9 C8_9 119.6 . . ?
C5_9 C4_9 C8_9 120.4 . . ?
C4_9 C5_9 H5_9 120.0 . . ?
C6_9 C5_9 C4_9 120.0 . . ?
C6_9 C5_9 H5_9 120.0 . . ?
N1_9 C6_9 C7_9 117.0 . . ?
C5_9 C6_9 N1_9 120.0 . . ?
C5_9 C6_9 C7_9 123.0 . . ?
O3_9 C7_9 C6_9 119.6 . . ?
O3_9 C7_9 O4_9 122.2 . . ?
O4_9 C7_9 C6_9 116.8 . . ?
C9_9 C8_9 C4_9 119.4 . . ?
C9_9 C8_9 C12_9 120.0 . . ?
C12_9 C8_9 C4_9 120.6 . . ?
C8_9 C9_9 H9_9 120.0 . . ?
C10_9 C9_9 C8_9 120.0 . . ?
C10_9 C9_9 H9_9 120.0 . . ?
C9_9 C10_9 N2_9 120.0 . . ?
C9_9 C10_9 C14_9 120.1 . . ?
N2_9 C10_9 C14_9 119.9 . . ?
C10_9 N2_9 C11_9 120.0 . . ?
N2_9 C11_9 C13_9 119.2 . . ?
C12_9 C11_9 N2_9 120.0 . . ?
C12_9 C11_9 C13_9 120.8 . . ?
C8_9 C12_9 H12_9 120.0 . . ?
C11_9 C12_9 C8_9 120.0 . . ?
C11_9 C12_9 H12_9 120.0 . . ?
O7_9 C13_9 C11_9 118.3 . . ?
O8_9 C13_9 C11_9 118.2 . . ?
O8_9 C13_9 O7_9 123.0 . . ?
O5_9 C14_9 C10_9 117.5 . . ?
O5_9 C14_9 O6_9 122.7 . . ?
O6_9 C14_9 C10_9 117.8 . . ?
C1_9 O1_9 Pt06 106.4 . . ?
C14_9 O6_9 Pt7 114.0 . . ?
C13_9 O8_9 Pt7A 110.5 . . ?
H1A_13 C1_13 H1B_13 108.2 . . ?
C2_13 C1_13 H1A_13 109.7 . . ?
C2_13 C1_13 H1B_13 109.7 . . ?
C2_13 C1_13 P1_13 109.7 . . ?
P1_13 C1_13 H1A_13 109.7 . . ?
P1_13 C1_13 H1B_13 109.7 . . ?
C1_13 C2_13 H2A_13 109.5 . . ?
C1_13 C2_13 H2B_13 109.5 . . ?
C1_13 C2_13 H2C_13 109.5 . . ?
H2A_13 C2_13 H2B_13 109.5 . . ?
H2A_13 C2_13 H2C_13 109.5 . . ?
H2B_13 C2_13 H2C_13 109.5 . . ?
H3A_13 C3_13 H3B_13 108.4 . . ?
C4_13 C3_13 H3A_13 110.0 . . ?
C4_13 C3_13 H3B_13 110.0 . . ?
C4_13 C3_13 P1_13 108.6 . . ?
P1_13 C3_13 H3A_13 110.0 . . ?
P1_13 C3_13 H3B_13 110.0 . . ?
C3_13 C4_13 H4A_13 109.5 . . ?
C3_13 C4_13 H4B_13 109.5 . . ?
C3_13 C4_13 H4C_13 109.5 . . ?
H4A_13 C4_13 H4B_13 109.5 . . ?
H4A_13 C4_13 H4C_13 109.5 . . ?
H4B_13 C4_13 H4C_13 109.5 . . ?
H5A_13 C5_13 H5B_13 107.7 . . ?
C6_13 C5_13 H5A_13 108.8 . . ?
C6_13 C5_13 H5B_13 108.8 . . ?
C6_13 C5_13 P1_13 113.8 . . ?
P1_13 C5_13 H5A_13 108.8 . . ?
P1_13 C5_13 H5B_13 108.8 . . ?
C5_13 C6_13 H6A_13 109.5 . . ?
C5_13 C6_13 H6B_13 109.5 . . ?
C5_13 C6_13 H6C_13 109.5 . . ?
H6A_13 C6_13 H6B_13 109.5 . . ?
H6A_13 C6_13 H6C_13 109.5 . . ?
H6B_13 C6_13 H6C_13 109.5 . . ?
C1_13 P1_13 Pt02 116.0 . . ?
C3_13 P1_13 Pt02 119.6 . . ?
C3_13 P1_13 C1_13 103.1 . . ?
C3_13 P1_13 C5_13 103.0 . . ?
C5_13 P1_13 Pt02 110.9 . . ?
C5_13 P1_13 C1_13 102.2 . . ?
H1A_14 C1_14 H1B_14 108.7 . . ?
C2_14 C1_14 H1A_14 110.6 . . ?
C2_14 C1_14 H1B_14 110.6 . . ?
C2_14 C1_14 P1_14 105.7 . . ?
P1_14 C1_14 H1A_14 110.6 . . ?
P1_14 C1_14 H1B_14 110.6 . . ?
C1_14 C2_14 H2A_14 109.5 . . ?
C1_14 C2_14 H2B_14 109.5 . . ?
C1_14 C2_14 H2C_14 109.5 . . ?
H2A_14 C2_14 H2B_14 109.5 . . ?
H2A_14 C2_14 H2C_14 109.5 . . ?
H2B_14 C2_14 H2C_14 109.5 . . ?
H3A_14 C3_14 H3B_14 107.7 . . ?
C4_14 C3_14 H3A_14 108.9 . . ?
C4_14 C3_14 H3B_14 108.9 . . ?
C4_14 C3_14 P1_14 113.5 . . ?
P1_14 C3_14 H3A_14 108.9 . . ?
P1_14 C3_14 H3B_14 108.9 . . ?
C3_14 C4_14 H4A_14 109.5 . . ?
C3_14 C4_14 H4B_14 109.5 . . ?
C3_14 C4_14 H4C_14 109.5 . . ?
H4A_14 C4_14 H4B_14 109.5 . . ?
H4A_14 C4_14 H4C_14 109.5 . . ?
H4B_14 C4_14 H4C_14 109.5 . . ?
H5A_14 C5_14 H5B_14 108.0 . . ?
C6_14 C5_14 H5A_14 109.4 . . ?
C6_14 C5_14 H5B_14 109.4 . . ?
C6_14 C5_14 P1_14 111.3 . . ?
P1_14 C5_14 H5A_14 109.4 . . ?
P1_14 C5_14 H5B_14 109.4 . . ?
C5_14 C6_14 H6A_14 109.5 . . ?
C5_14 C6_14 H6B_14 109.5 . . ?
C5_14 C6_14 H6C_14 109.5 . . ?
H6A_14 C6_14 H6B_14 109.5 . . ?
H6A_14 C6_14 H6C_14 109.5 . . ?
H6B_14 C6_14 H6C_14 109.5 . . ?
C1_14 P1_14 Pt01 116.2 . . ?
C1_14 P1_14 C3_14 103.1 . . ?
C3_14 P1_14 Pt01 119.0 . . ?
C5_14 P1_14 Pt01 110.0 . . ?
C5_14 P1_14 C1_14 103.3 . . ?
C5_14 P1_14 C3_14 103.4 . . ?
H1A_15 C1_15 H1B_15 108.0 . . ?
C2_15 C1_15 H1A_15 109.4 . . ?
C2_15 C1_15 H1B_15 109.4 . . ?
C2_15 C1_15 P1_15 111.0 . . ?
P1_15 C1_15 H1A_15 109.4 . . ?
P1_15 C1_15 H1B_15 109.4 . . ?
C1_15 C2_15 H2A_15 109.5 . . ?
C1_15 C2_15 H2B_15 109.5 . . ?
C1_15 C2_15 H2C_15 109.5 . . ?
H2A_15 C2_15 H2B_15 109.5 . . ?
H2A_15 C2_15 H2C_15 109.5 . . ?
H2B_15 C2_15 H2C_15 109.5 . . ?
H3A_15 C3_15 H3B_15 107.7 . . ?
C4_15 C3_15 H3A_15 108.9 . . ?
C4_15 C3_15 H3B_15 108.9 . . ?
C4_15 C3_15 P1_15 113.6 . . ?
P1_15 C3_15 H3A_15 108.9 . . ?
P1_15 C3_15 H3B_15 108.9 . . ?
C3_15 C4_15 H4A_15 109.5 . . ?
C3_15 C4_15 H4B_15 109.5 . . ?
C3_15 C4_15 H4C_15 109.5 . . ?
H4A_15 C4_15 H4B_15 109.5 . . ?
H4A_15 C4_15 H4C_15 109.5 . . ?
H4B_15 C4_15 H4C_15 109.5 . . ?
H5A_15 C5_15 H5B_15 108.1 . . ?
C6_15 C5_15 H5A_15 109.5 . . ?
C6_15 C5_15 H5B_15 109.5 . . ?
C6_15 C5_15 P1_15 110.7 . . ?
P1_15 C5_15 H5A_15 109.5 . . ?
P1_15 C5_15 H5B_15 109.5 . . ?
C5_15 C6_15 H6A_15 109.5 . . ?
C5_15 C6_15 H6B_15 109.5 . . ?
C5_15 C6_15 H6C_15 109.5 . . ?
H6A_15 C6_15 H6B_15 109.5 . . ?
H6A_15 C6_15 H6C_15 109.5 . . ?
H6B_15 C6_15 H6C_15 109.5 . . ?
C1_15 P1_15 Pt01 116.5 . . ?
C3_15 P1_15 Pt01 108.2 . . ?
C3_15 P1_15 C1_15 103.3 . . ?
C3_15 P1_15 C5_15 104.0 . . ?
C5_15 P1_15 Pt01 119.6 . . ?
C5_15 P1_15 C1_15 103.4 . . ?
H1A_16 C1_16 H1B_16 107.1 . . ?
C2_16 C1_16 H1A_16 107.7 . . ?
C2_16 C1_16 H1B_16 107.7 . . ?
C2_16 C1_16 P1_16 118.5 . . ?
P1_16 C1_16 H1A_16 107.7 . . ?
P1_16 C1_16 H1B_16 107.7 . . ?
C1_16 C2_16 H2A_16 109.5 . . ?
C1_16 C2_16 H2B_16 109.5 . . ?
C1_16 C2_16 H2C_16 109.5 . . ?
H2A_16 C2_16 H2B_16 109.5 . . ?
H2A_16 C2_16 H2C_16 109.5 . . ?
H2B_16 C2_16 H2C_16 109.5 . . ?
H3A_16 C3_16 H3B_16 108.2 . . ?
C4_16 C3_16 H3A_16 109.7 . . ?
C4_16 C3_16 H3B_16 109.7 . . ?
C4_16 C3_16 P1_16 110.0 . . ?
P1_16 C3_16 H3A_16 109.7 . . ?
P1_16 C3_16 H3B_16 109.7 . . ?
C3_16 C4_16 H4A_16 109.5 . . ?
C3_16 C4_16 H4B_16 109.5 . . ?
C3_16 C4_16 H4C_16 109.5 . . ?
H4A_16 C4_16 H4B_16 109.5 . . ?
H4A_16 C4_16 H4C_16 109.5 . . ?
H4B_16 C4_16 H4C_16 109.5 . . ?
H5A_16 C5_16 H5B_16 108.0 . . ?
C6_16 C5_16 H5A_16 109.3 . . ?
C6_16 C5_16 H5B_16 109.3 . . ?
C6_16 C5_16 P1_16 111.4 . . ?
P1_16 C5_16 H5A_16 109.3 . . ?
P1_16 C5_16 H5B_16 109.3 . . ?
C5_16 C6_16 H6A_16 109.5 . . ?
C5_16 C6_16 H6B_16 109.5 . . ?
C5_16 C6_16 H6C_16 109.5 . . ?
H6A_16 C6_16 H6B_16 109.5 . . ?
H6A_16 C6_16 H6C_16 109.5 . . ?
H6B_16 C6_16 H6C_16 109.5 . . ?
C1_16 P1_16 Pt05 113.9 . . ?
C1_16 P1_16 C3_16 101.7 . . ?
C1_16 P1_16 C5_16 102.3 . . ?
C3_16 P1_16 Pt05 118.4 . . ?
C5_16 P1_16 Pt05 116.6 . . ?
C5_16 P1_16 C3_16 101.6 . . ?
H1A_17 C1_17 H1B_17 108.2 . . ?
C2_17 C1_17 H1A_17 109.7 . . ?
C2_17 C1_17 H1B_17 109.7 . . ?
C2_17 C1_17 P1_17 109.8 . . ?
P1_17 C1_17 H1A_17 109.7 . . ?
P1_17 C1_17 H1B_17 109.7 . . ?
C1_17 C2_17 H2A_17 109.5 . . ?
C1_17 C2_17 H2B_17 109.5 . . ?
C1_17 C2_17 H2C_17 109.5 . . ?
H2A_17 C2_17 H2B_17 109.5 . . ?
H2A_17 C2_17 H2C_17 109.5 . . ?
H2B_17 C2_17 H2C_17 109.5 . . ?
H3A_17 C3_17 H3B_17 108.3 . . ?
C4_17 C3_17 H3A_17 109.9 . . ?
C4_17 C3_17 H3B_17 109.9 . . ?
C4_17 C3_17 P1_17 109.0 . . ?
P1_17 C3_17 H3A_17 109.9 . . ?
P1_17 C3_17 H3B_17 109.9 . . ?
C3_17 C4_17 H4A_17 109.5 . . ?
C3_17 C4_17 H4B_17 109.5 . . ?
C3_17 C4_17 H4C_17 109.5 . . ?
H4A_17 C4_17 H4B_17 109.5 . . ?
H4A_17 C4_17 H4C_17 109.5 . . ?
H4B_17 C4_17 H4C_17 109.5 . . ?
H5A_17 C5_17 H5B_17 107.8 . . ?
C6_17 C5_17 H5A_17 109.1 . . ?
C6_17 C5_17 H5B_17 109.1 . . ?
C6_17 C5_17 P1_17 112.6 . . ?
P1_17 C5_17 H5A_17 109.1 . . ?
P1_17 C5_17 H5B_17 109.1 . . ?
C5_17 C6_17 H6A_17 109.5 . . ?
C5_17 C6_17 H6B_17 109.5 . . ?
C5_17 C6_17 H6C_17 109.5 . . ?
H6A_17 C6_17 H6B_17 109.5 . . ?
H6A_17 C6_17 H6C_17 109.5 . . ?
H6B_17 C6_17 H6C_17 109.5 . . ?
C1_17 P1_17 Pt05 114.7 . . ?
C1_17 P1_17 C3_17 101.9 . . ?
C1_17 P1_17 C5_17 101.9 . . ?
C3_17 P1_17 Pt05 115.3 . . ?
C5_17 P1_17 Pt05 118.9 . . ?
C5_17 P1_17 C3_17 101.8 . . ?
H1A_18 C1_18 H1B_18 108.2 . . ?
C2_18 C1_18 H1A_18 109.8 . . ?
C2_18 C1_18 H1B_18 109.8 . . ?
C2_18 C1_18 P1_18 109.6 . . ?
P1_18 C1_18 H1A_18 109.8 . . ?
P1_18 C1_18 H1B_18 109.8 . . ?
C1_18 C2_18 H2A_18 109.5 . . ?
C1_18 C2_18 H2B_18 109.5 . . ?
C1_18 C2_18 H2C_18 109.5 . . ?
H2A_18 C2_18 H2B_18 109.5 . . ?
H2A_18 C2_18 H2C_18 109.5 . . ?
H2B_18 C2_18 H2C_18 109.5 . . ?
H3A_18 C3_18 H3B_18 107.9 . . ?
C4_18 C3_18 H3A_18 109.2 . . ?
C4_18 C3_18 H3B_18 109.2 . . ?
C4_18 C3_18 P1_18 112.2 . . ?
P1_18 C3_18 H3A_18 109.2 . . ?
P1_18 C3_18 H3B_18 109.2 . . ?
C3_18 C4_18 H4A_18 109.5 . . ?
C3_18 C4_18 H4B_18 109.5 . . ?
C3_18 C4_18 H4C_18 109.5 . . ?
H4A_18 C4_18 H4B_18 109.5 . . ?
H4A_18 C4_18 H4C_18 109.5 . . ?
H4B_18 C4_18 H4C_18 109.5 . . ?
H5A_18 C5_18 H5B_18 108.4 . . ?
C6_18 C5_18 H5A_18 110.0 . . ?
C6_18 C5_18 H5B_18 110.0 . . ?
C6_18 C5_18 P1_18 108.5 . . ?
P1_18 C5_18 H5A_18 110.0 . . ?
P1_18 C5_18 H5B_18 110.0 . . ?
C5_18 C6_18 H6A_18 109.5 . . ?
C5_18 C6_18 H6B_18 109.5 . . ?
C5_18 C6_18 H6C_18 109.5 . . ?
H6A_18 C6_18 H6B_18 109.5 . . ?
H6A_18 C6_18 H6C_18 109.5 . . ?
H6B_18 C6_18 H6C_18 109.5 . . ?
C1_18 P1_18 Pt03 116.4 . . ?
C3_18 P1_18 Pt03 109.6 . . ?
C3_18 P1_18 C1_18 103.3 . . ?
C3_18 P1_18 C5_18 103.3 . . ?
C5_18 P1_18 Pt03 119.7 . . ?
C5_18 P1_18 C1_18 102.7 . . ?
H1A_19 C1_19 H1B_19 108.2 . . ?
C2_19 C1_19 H1A_19 109.7 . . ?
C2_19 C1_19 H1B_19 109.7 . . ?
C2_19 C1_19 P1_19 110.0 . . ?
P1_19 C1_19 H1A_19 109.7 . . ?
P1_19 C1_19 H1B_19 109.7 . . ?
C1_19 C2_19 H2A_19 109.5 . . ?
C1_19 C2_19 H2B_19 109.5 . . ?
C1_19 C2_19 H2C_19 109.5 . . ?
H2A_19 C2_19 H2B_19 109.5 . . ?
H2A_19 C2_19 H2C_19 109.5 . . ?
H2B_19 C2_19 H2C_19 109.5 . . ?
H3A_19 C3_19 H3B_19 108.4 . . ?
C4_19 C3_19 H3A_19 110.0 . . ?
C4_19 C3_19 H3B_19 110.0 . . ?
C4_19 C3_19 P1_19 108.5 . . ?
P1_19 C3_19 H3A_19 110.0 . . ?
P1_19 C3_19 H3B_19 110.0 . . ?
C3_19 C4_19 H4A_19 109.5 . . ?
C3_19 C4_19 H4B_19 109.5 . . ?
C3_19 C4_19 H4C_19 109.5 . . ?
H4A_19 C4_19 H4B_19 109.5 . . ?
H4A_19 C4_19 H4C_19 109.5 . . ?
H4B_19 C4_19 H4C_19 109.5 . . ?
H5A_19 C5_19 H5B_19 109.0 . . ?
C6_19 C5_19 H5A_19 110.9 . . ?
C6_19 C5_19 H5B_19 110.9 . . ?
C6_19 C5_19 P1_19 104.1 . . ?
P1_19 C5_19 H5A_19 110.9 . . ?
P1_19 C5_19 H5B_19 110.9 . . ?
C5_19 C6_19 H6A_19 109.5 . . ?
C5_19 C6_19 H6B_19 109.5 . . ?
C5_19 C6_19 H6C_19 109.5 . . ?
H6A_19 C6_19 H6B_19 109.5 . . ?
H6A_19 C6_19 H6C_19 109.5 . . ?
H6B_19 C6_19 H6C_19 109.5 . . ?
C1_19 P1_19 Pt03 110.7 . . ?
C3_19 P1_19 Pt03 112.2 . . ?
C3_19 P1_19 C1_19 102.9 . . ?
C5_19 P1_19 Pt03 122.7 . . ?
C5_19 P1_19 C1_19 102.8 . . ?
C5_19 P1_19 C3_19 103.5 . . ?
H1A_20 C1_20 H1B_20 109.2 . . ?
C2_20 C1_20 H1A_20 111.3 . . ?
C2_20 C1_20 H1B_20 111.3 . . ?
C2_20 C1_20 P1_20 102.3 . . ?
P1_20 C1_20 H1A_20 111.3 . . ?
P1_20 C1_20 H1B_20 111.3 . . ?
C1_20 C2_20 H2A_20 109.5 . . ?
C1_20 C2_20 H2B_20 109.5 . . ?
C1_20 C2_20 H2C_20 109.5 . . ?
H2A_20 C2_20 H2B_20 109.5 . . ?
H2A_20 C2_20 H2C_20 109.5 . . ?
H2B_20 C2_20 H2C_20 109.5 . . ?
H3A_20 C3_20 H3B_20 107.7 . . ?
C4_20 C3_20 H3A_20 108.8 . . ?
C4_20 C3_20 H3B_20 108.8 . . ?
C4_20 C3_20 P1_20 113.6 . . ?
P1_20 C3_20 H3A_20 108.8 . . ?
P1_20 C3_20 H3B_20 108.8 . . ?
C3_20 C4_20 H4A_20 109.5 . . ?
C3_20 C4_20 H4B_20 109.5 . . ?
C3_20 C4_20 H4C_20 109.5 . . ?
H4A_20 C4_20 H4B_20 109.5 . . ?
H4A_20 C4_20 H4C_20 109.5 . . ?
H4B_20 C4_20 H4C_20 109.5 . . ?
H5A_20 C5_20 H5B_20 108.5 . . ?
C6_20 C5_20 H5A_20 110.2 . . ?
C6_20 C5_20 H5B_20 110.2 . . ?
C6_20 C5_20 P1_20 107.6 . . ?
P1_20 C5_20 H5A_20 110.2 . . ?
P1_20 C5_20 H5B_20 110.2 . . ?
C5_20 C6_20 H6A_20 109.5 . . ?
C5_20 C6_20 H6B_20 109.5 . . ?
C5_20 C6_20 H6C_20 109.5 . . ?
H6A_20 C6_20 H6B_20 109.5 . . ?
H6A_20 C6_20 H6C_20 109.5 . . ?
H6B_20 C6_20 H6C_20 109.5 . . ?
C1_20 P1_20 Pt08 121.6 . . ?
C1_20 P1_20 C3_20 102.4 . . ?
C3_20 P1_20 Pt08 117.6 . . ?
C5_20 P1_20 Pt08 107.3 . . ?
C5_20 P1_20 C1_20 102.9 . . ?
C5_20 P1_20 C3_20 102.7 . . ?
H1A_21 C1_21 H1B_21 108.7 . . ?
C2_21 C1_21 H1A_21 110.5 . . ?
C2_21 C1_21 H1B_21 110.5 . . ?
C2_21 C1_21 P1_21 106.3 . . ?
P1_21 C1_21 H1A_21 110.5 . . ?
P1_21 C1_21 H1B_21 110.5 . . ?
C1_21 C2_21 H2A_21 109.5 . . ?
C1_21 C2_21 H2B_21 109.5 . . ?
C1_21 C2_21 H2C_21 109.5 . . ?
H2A_21 C2_21 H2B_21 109.5 . . ?
H2A_21 C2_21 H2C_21 109.5 . . ?
H2B_21 C2_21 H2C_21 109.5 . . ?
H3A_21 C3_21 H3B_21 106.8 . . ?
C4_21 C3_21 H3A_21 107.2 . . ?
C4_21 C3_21 H3B_21 107.2 . . ?
C4_21 C3_21 P1_21 120.6 . . ?
P1_21 C3_21 H3A_21 107.2 . . ?
P1_21 C3_21 H3B_21 107.2 . . ?
C3_21 C4_21 H4A_21 109.5 . . ?
C3_21 C4_21 H4B_21 109.5 . . ?
C3_21 C4_21 H4C_21 109.5 . . ?
H4A_21 C4_21 H4B_21 109.5 . . ?
H4A_21 C4_21 H4C_21 109.5 . . ?
H4B_21 C4_21 H4C_21 109.5 . . ?
H5A_21 C5_21 H5B_21 108.8 . . ?
C6_21 C5_21 H5A_21 110.6 . . ?
C6_21 C5_21 H5B_21 110.6 . . ?
C6_21 C5_21 P1_21 105.5 . . ?
P1_21 C5_21 H5A_21 110.6 . . ?
P1_21 C5_21 H5B_21 110.6 . . ?
C5_21 C6_21 H6A_21 109.5 . . ?
C5_21 C6_21 H6B_21 109.5 . . ?
C5_21 C6_21 H6C_21 109.5 . . ?
H6A_21 C6_21 H6B_21 109.5 . . ?
H6A_21 C6_21 H6C_21 109.5 . . ?
H6B_21 C6_21 H6C_21 109.5 . . ?
C1_21 P1_21 Pt08 111.4 . . ?
C1_21 P1_21 C3_21 102.0 . . ?
C3_21 P1_21 Pt08 122.5 . . ?
C5_21 P1_21 Pt08 112.8 . . ?
C5_21 P1_21 C1_21 103.2 . . ?
C5_21 P1_21 C3_21 102.8 . . ?
H1A_22 C1_22 H1B_22 108.4 . . ?
C2_22 C1_22 H1A_22 110.0 . . ?
C2_22 C1_22 H1B_22 110.0 . . ?
C2_22 C1_22 P1_22 108.4 . . ?
P1_22 C1_22 H1A_22 110.0 . . ?
P1_22 C1_22 H1B_22 110.0 . . ?
C1_22 C2_22 H2A_22 109.5 . . ?
C1_22 C2_22 H2B_22 109.5 . . ?
C1_22 C2_22 H2C_22 109.5 . . ?
H2A_22 C2_22 H2B_22 109.5 . . ?
H2A_22 C2_22 H2C_22 109.5 . . ?
H2B_22 C2_22 H2C_22 109.5 . . ?
H3A_22 C3_22 H3B_22 108.1 . . ?
C4_22 C3_22 H3A_22 109.6 . . ?
C4_22 C3_22 H3B_22 109.6 . . ?
C4_22 C3_22 P1_22 110.4 . . ?
P1_22 C3_22 H3A_22 109.6 . . ?
P1_22 C3_22 H3B_22 109.6 . . ?
C3_22 C4_22 H4A_22 109.5 . . ?
C3_22 C4_22 H4B_22 109.5 . . ?
C3_22 C4_22 H4C_22 109.5 . . ?
H4A_22 C4_22 H4B_22 109.5 . . ?
H4A_22 C4_22 H4C_22 109.5 . . ?
H4B_22 C4_22 H4C_22 109.5 . . ?
H5A_22 C5_22 H5B_22 107.9 . . ?
C6_22 C5_22 H5A_22 109.2 . . ?
C6_22 C5_22 H5B_22 109.2 . . ?
C6_22 C5_22 P1_22 112.1 . . ?
P1_22 C5_22 H5A_22 109.2 . . ?
P1_22 C5_22 H5B_22 109.2 . . ?
C5_22 C6_22 H6A_22 109.5 . . ?
C5_22 C6_22 H6B_22 109.5 . . ?
C5_22 C6_22 H6C_22 109.5 . . ?
H6A_22 C6_22 H6B_22 109.5 . . ?
H6A_22 C6_22 H6C_22 109.5 . . ?
H6B_22 C6_22 H6C_22 109.5 . . ?
C1_22 P1_22 Pt4 122.7 . . ?
C1_22 P1_22 Pt4A 114.6 . . ?
C3_22 P1_22 Pt4 122.7 . . ?
C3_22 P1_22 Pt4A 116.8 . . ?
C3_22 P1_22 C1_22 103.1 . . ?
C5_22 P1_22 Pt4 97.8 . . ?
C5_22 P1_22 Pt4A 113.9 . . ?
C5_22 P1_22 C1_22 103.4 . . ?
C5_22 P1_22 C3_22 103.4 . . ?
H1A_23 C1_23 H1B_23 108.0 . . ?
C2_23 C1_23 H1A_23 109.4 . . ?
C2_23 C1_23 H1B_23 109.4 . . ?
C2_23 C1_23 P1_23 111.0 . . ?
P1_23 C1_23 H1A_23 109.4 . . ?
P1_23 C1_23 H1B_23 109.4 . . ?
C1_23 C2_23 H2A_23 109.5 . . ?
C1_23 C2_23 H2B_23 109.5 . . ?
C1_23 C2_23 H2C_23 109.5 . . ?
H2A_23 C2_23 H2B_23 109.5 . . ?
H2A_23 C2_23 H2C_23 109.5 . . ?
H2B_23 C2_23 H2C_23 109.5 . . ?
H3A_23 C3_23 H3B_23 107.5 . . ?
C4_23 C3_23 H3A_23 108.4 . . ?
C4_23 C3_23 H3B_23 108.4 . . ?
C4_23 C3_23 P1_23 115.5 . . ?
P1_23 C3_23 H3A_23 108.4 . . ?
P1_23 C3_23 H3B_23 108.4 . . ?
C3_23 C4_23 H4A_23 109.5 . . ?
C3_23 C4_23 H4B_23 109.5 . . ?
C3_23 C4_23 H4C_23 109.5 . . ?
H4A_23 C4_23 H4B_23 109.5 . . ?
H4A_23 C4_23 H4C_23 109.5 . . ?
H4B_23 C4_23 H4C_23 109.5 . . ?
H5A_23 C5_23 H5B_23 107.9 . . ?
C6_23 C5_23 H5A_23 109.3 . . ?
C6_23 C5_23 H5B_23 109.3 . . ?
C6_23 C5_23 P1_23 111.7 . . ?
P1_23 C5_23 H5A_23 109.3 . . ?
P1_23 C5_23 H5B_23 109.3 . . ?
C5_23 C6_23 H6A_23 109.5 . . ?
C5_23 C6_23 H6B_23 109.5 . . ?
C5_23 C6_23 H6C_23 109.5 . . ?
H6A_23 C6_23 H6B_23 109.5 . . ?
H6A_23 C6_23 H6C_23 109.5 . . ?
H6B_23 C6_23 H6C_23 109.5 . . ?
C1_23 P1_23 Pt4 121.3 . . ?
C1_23 P1_23 Pt4A 125.5 . . ?
C3_23 P1_23 Pt4 118.8 . . ?
C3_23 P1_23 Pt4A 109.9 . . ?
C3_23 P1_23 C1_23 102.3 . . ?
C5_23 P1_23 Pt4 106.6 . . ?
C5_23 P1_23 Pt4A 111.4 . . ?
C5_23 P1_23 C1_23 102.4 . . ?
C5_23 P1_23 C3_23 102.9 . . ?
H1A_24 C1_24 H1B_24 108.3 . . ?
C2_24 C1_24 H1A_24 109.9 . . ?
C2_24 C1_24 H1B_24 109.9 . . ?
C2_24 C1_24 P1_24 108.8 . . ?
P1_24 C1_24 H1A_24 109.9 . . ?
P1_24 C1_24 H1B_24 109.9 . . ?
C1_24 C2_24 H2A_24 109.5 . . ?
C1_24 C2_24 H2B_24 109.5 . . ?
C1_24 C2_24 H2C_24 109.5 . . ?
H2A_24 C2_24 H2B_24 109.5 . . ?
H2A_24 C2_24 H2C_24 109.5 . . ?
H2B_24 C2_24 H2C_24 109.5 . . ?
H3A_24 C3_24 H3B_24 107.6 . . ?
C4_24 C3_24 H3A_24 108.6 . . ?
C4_24 C3_24 H3B_24 108.6 . . ?
C4_24 C3_24 P1_24 114.6 . . ?
P1_24 C3_24 H3A_24 108.6 . . ?
P1_24 C3_24 H3B_24 108.6 . . ?
C3_24 C4_24 H4A_24 109.5 . . ?
C3_24 C4_24 H4B_24 109.5 . . ?
C3_24 C4_24 H4C_24 109.5 . . ?
H4A_24 C4_24 H4B_24 109.5 . . ?
H4A_24 C4_24 H4C_24 109.5 . . ?
H4B_24 C4_24 H4C_24 109.5 . . ?
H5A_24 C5_24 H5B_24 107.8 . . ?
C6_24 C5_24 H5A_24 108.9 . . ?
C6_24 C5_24 H5B_24 108.9 . . ?
C6_24 C5_24 P1_24 113.2 . . ?
P1_24 C5_24 H5A_24 108.9 . . ?
P1_24 C5_24 H5B_24 108.9 . . ?
C5_24 C6_24 H6A_24 109.5 . . ?
C5_24 C6_24 H6B_24 109.5 . . ?
C5_24 C6_24 H6C_24 109.5 . . ?
H6A_24 C6_24 H6B_24 109.5 . . ?
H6A_24 C6_24 H6C_24 109.5 . . ?
H6B_24 C6_24 H6C_24 109.5 . . ?
C1_24 P1_24 Pt06 124.3 . . ?
C3_24 P1_24 Pt06 108.6 . . ?
C3_24 P1_24 C1_24 103.3 . . ?
C3_24 P1_24 C5_24 103.5 . . ?
C5_24 P1_24 Pt06 111.8 . . ?
C5_24 P1_24 C1_24 103.3 . . ?
H1A_25 C1_25 H1B_25 108.3 . . ?
C2_25 C1_25 H1A_25 109.8 . . ?
C2_25 C1_25 H1B_25 109.8 . . ?
C2_25 C1_25 P1_25 109.2 . . ?
P1_25 C1_25 H1A_25 109.8 . . ?
P1_25 C1_25 H1B_25 109.8 . . ?
C1_25 C2_25 H2A_25 109.5 . . ?
C1_25 C2_25 H2B_25 109.5 . . ?
C1_25 C2_25 H2C_25 109.5 . . ?
H2A_25 C2_25 H2B_25 109.5 . . ?
H2A_25 C2_25 H2C_25 109.5 . . ?
H2B_25 C2_25 H2C_25 109.5 . . ?
H3A_25 C3_25 H3B_25 108.0 . . ?
C4_25 C3_25 H3A_25 109.4 . . ?
C4_25 C3_25 H3B_25 109.4 . . ?
C4_25 C3_25 P1_25 111.4 . . ?
P1_25 C3_25 H3A_25 109.4 . . ?
P1_25 C3_25 H3B_25 109.4 . . ?
C3_25 C4_25 H4A_25 109.5 . . ?
C3_25 C4_25 H4B_25 109.5 . . ?
C3_25 C4_25 H4C_25 109.5 . . ?
H4A_25 C4_25 H4B_25 109.5 . . ?
H4A_25 C4_25 H4C_25 109.5 . . ?
H4B_25 C4_25 H4C_25 109.5 . . ?
H5A_25 C5_25 H5B_25 108.0 . . ?
C6_25 C5_25 H5A_25 109.3 . . ?
C6_25 C5_25 H5B_25 109.3 . . ?
C6_25 C5_25 P1_25 111.4 . . ?
P1_25 C5_25 H5A_25 109.3 . . ?
P1_25 C5_25 H5B_25 109.3 . . ?
C5_25 C6_25 H6A_25 109.5 . . ?
C5_25 C6_25 H6B_25 109.5 . . ?
C5_25 C6_25 H6C_25 109.5 . . ?
H6A_25 C6_25 H6B_25 109.5 . . ?
H6A_25 C6_25 H6C_25 109.5 . . ?
H6B_25 C6_25 H6C_25 109.5 . . ?
C1_25 P1_25 Pt06 112.7 . . ?
C3_25 P1_25 Pt06 117.9 . . ?
C3_25 P1_25 C1_25 103.0 . . ?
C3_25 P1_25 C5_25 103.1 . . ?
C5_25 P1_25 Pt06 115.5 . . ?
C5_25 P1_25 C1_25 102.7 . . ?
H1A_26 C1_26 H1B_26 108.1 . . ?
C2_26 C1_26 H1A_26 109.5 . . ?
C2_26 C1_26 H1B_26 109.5 . . ?
C2_26 C1_26 P1_26 110.7 . . ?
P1_26 C1_26 H1A_26 109.5 . . ?
P1_26 C1_26 H1B_26 109.5 . . ?
C1_26 C2_26 H2A_26 109.5 . . ?
C1_26 C2_26 H2B_26 109.5 . . ?
C1_26 C2_26 H2C_26 109.5 . . ?
H2A_26 C2_26 H2B_26 109.5 . . ?
H2A_26 C2_26 H2C_26 109.5 . . ?
H2B_26 C2_26 H2C_26 109.5 . . ?
H3A_26 C3_26 H3B_26 108.0 . . ?
C4_26 C3_26 H3A_26 109.3 . . ?
C4_26 C3_26 H3B_26 109.3 . . ?
C4_26 C3_26 P1_26 111.4 . . ?
P1_26 C3_26 H3A_26 109.3 . . ?
P1_26 C3_26 H3B_26 109.3 . . ?
C3_26 C4_26 H4A_26 109.5 . . ?
C3_26 C4_26 H4B_26 109.5 . . ?
C3_26 C4_26 H4C_26 109.5 . . ?
H4A_26 C4_26 H4B_26 109.5 . . ?
H4A_26 C4_26 H4C_26 109.5 . . ?
H4B_26 C4_26 H4C_26 109.5 . . ?
H5A_26 C5_26 H5B_26 107.8 . . ?
C6_26 C5_26 H5A_26 109.1 . . ?
C6_26 C5_26 H5B_26 109.1 . . ?
C6_26 C5_26 P1_26 112.5 . . ?
P1_26 C5_26 H5A_26 109.1 . . ?
P1_26 C5_26 H5B_26 109.1 . . ?
C5_26 C6_26 H6A_26 109.5 . . ?
C5_26 C6_26 H6B_26 109.5 . . ?
C5_26 C6_26 H6C_26 109.5 . . ?
H6A_26 C6_26 H6B_26 109.5 . . ?
H6A_26 C6_26 H6C_26 109.5 . . ?
H6B_26 C6_26 H6C_26 109.5 . . ?
C1_26 P1_26 Pt7 114.5 . . ?
C3_26 P1_26 Pt7 121.3 . . ?
C3_26 P1_26 C1_26 103.2 . . ?
C3_26 P1_26 C5_26 103.4 . . ?
C5_26 P1_26 Pt7 109.3 . . ?
C5_26 P1_26 C1_26 103.2 . . ?
H1A_27 C1_27 H1B_27 108.1 . . ?
C2_27 C1_27 H1A_27 109.6 . . ?
C2_27 C1_27 H1B_27 109.6 . . ?
C2_27 C1_27 P1_27 110.4 . . ?
P1_27 C1_27 H1A_27 109.6 . . ?
P1_27 C1_27 H1B_27 109.6 . . ?
C1_27 C2_27 H2A_27 109.5 . . ?
C1_27 C2_27 H2B_27 109.5 . . ?
C1_27 C2_27 H2C_27 109.5 . . ?
H2A_27 C2_27 H2B_27 109.5 . . ?
H2A_27 C2_27 H2C_27 109.5 . . ?
H2B_27 C2_27 H2C_27 109.5 . . ?
H3A_27 C3_27 H3B_27 108.2 . . ?
C4_27 C3_27 H3A_27 109.7 . . ?
C4_27 C3_27 H3B_27 109.7 . . ?
C4_27 C3_27 P1_27 109.9 . . ?
P1_27 C3_27 H3A_27 109.7 . . ?
P1_27 C3_27 H3B_27 109.7 . . ?
C3_27 C4_27 H4A_27 109.5 . . ?
C3_27 C4_27 H4B_27 109.5 . . ?
C3_27 C4_27 H4C_27 109.5 . . ?
H4A_27 C4_27 H4B_27 109.5 . . ?
H4A_27 C4_27 H4C_27 109.5 . . ?
H4B_27 C4_27 H4C_27 109.5 . . ?
H5A_27 C5_27 H5B_27 108.2 . . ?
C6_27 C5_27 H5A_27 109.6 . . ?
C6_27 C5_27 H5B_27 109.6 . . ?
C6_27 C5_27 P1_27 110.1 . . ?
P1_27 C5_27 H5A_27 109.6 . . ?
P1_27 C5_27 H5B_27 109.6 . . ?
C5_27 C6_27 H6A_27 109.5 . . ?
C5_27 C6_27 H6B_27 109.5 . . ?
C5_27 C6_27 H6C_27 109.5 . . ?
H6A_27 C6_27 H6B_27 109.5 . . ?
H6A_27 C6_27 H6C_27 109.5 . . ?
H6B_27 C6_27 H6C_27 109.5 . . ?
C1_27 P1_27 Pt7 118.0 . . ?
C3_27 P1_27 Pt7 119.1 . . ?
C3_27 P1_27 C1_27 103.2 . . ?
C3_27 P1_27 C5_27 103.1 . . ?
C5_27 P1_27 Pt7 108.5 . . ?
C5_27 P1_27 C1_27 102.8 . . ?
H1A_28 C1_28 H1B_28 107.7 . . ?
C2_28 C1_28 H1A_28 108.8 . . ?
C2_28 C1_28 H1B_28 108.8 . . ?
C2_28 C1_28 P1_28 113.9 . . ?
P1_28 C1_28 H1A_28 108.8 . . ?
P1_28 C1_28 H1B_28 108.8 . . ?
C1_28 C2_28 H2A_28 109.5 . . ?
C1_28 C2_28 H2B_28 109.5 . . ?
C1_28 C2_28 H2C_28 109.5 . . ?
H2A_28 C2_28 H2B_28 109.5 . . ?
H2A_28 C2_28 H2C_28 109.5 . . ?
H2B_28 C2_28 H2C_28 109.5 . . ?
H3A_28 C3_28 H3B_28 107.9 . . ?
C4_28 C3_28 H3A_28 109.2 . . ?
C4_28 C3_28 H3B_28 109.2 . . ?
C4_28 C3_28 P1_28 111.9 . . ?
P1_28 C3_28 H3A_28 109.2 . . ?
P1_28 C3_28 H3B_28 109.2 . . ?
C3_28 C4_28 H4A_28 109.5 . . ?
C3_28 C4_28 H4B_28 109.5 . . ?
C3_28 C4_28 H4C_28 109.5 . . ?
H4A_28 C4_28 H4B_28 109.5 . . ?
H4A_28 C4_28 H4C_28 109.5 . . ?
H4B_28 C4_28 H4C_28 109.5 . . ?
H5A_28 C5_28 H5B_28 108.4 . . ?
C6_28 C5_28 H5A_28 110.1 . . ?
C6_28 C5_28 H5B_28 110.1 . . ?
C6_28 C5_28 P1_28 108.2 . . ?
P1_28 C5_28 H5A_28 110.1 . . ?
P1_28 C5_28 H5B_28 110.1 . . ?
C5_28 C6_28 H6A_28 109.5 . . ?
C5_28 C6_28 H6B_28 109.5 . . ?
C5_28 C6_28 H6C_28 109.5 . . ?
H6A_28 C6_28 H6B_28 109.5 . . ?
H6A_28 C6_28 H6C_28 109.5 . . ?
H6B_28 C6_28 H6C_28 109.5 . . ?
C1_28 P1_28 Pt7A 101.2 . . ?
C1_28 P1_28 C5_28 102.1 . . ?
C3_28 P1_28 Pt7A 110.7 . . ?
C3_28 P1_28 C1_28 102.1 . . ?
C3_28 P1_28 C5_28 102.2 . . ?
C5_28 P1_28 Pt7A 134.2 . . ?
H1A_29 C1_29 H1B_29 106.7 . . ?
C2_29 C1_29 H1A_29 106.8 . . ?
C2_29 C1_29 H1B_29 106.8 . . ?
C2_29 C1_29 P1_29 122.0 . . ?
P1_29 C1_29 H1A_29 106.8 . . ?
P1_29 C1_29 H1B_29 106.8 . . ?
C1_29 C2_29 H2A_29 109.5 . . ?
C1_29 C2_29 H2B_29 109.5 . . ?
C1_29 C2_29 H2C_29 109.5 . . ?
H2A_29 C2_29 H2B_29 109.5 . . ?
H2A_29 C2_29 H2C_29 109.5 . . ?
H2B_29 C2_29 H2C_29 109.5 . . ?
H3A_29 C3_29 H3B_29 108.1 . . ?
C4_29 C3_29 H3A_29 109.6 . . ?
C4_29 C3_29 H3B_29 109.6 . . ?
C4_29 C3_29 P1_29 110.2 . . ?
P1_29 C3_29 H3A_29 109.6 . . ?
P1_29 C3_29 H3B_29 109.6 . . ?
C3_29 C4_29 H4A_29 109.5 . . ?
C3_29 C4_29 H4B_29 109.5 . . ?
C3_29 C4_29 H4C_29 109.5 . . ?
H4A_29 C4_29 H4B_29 109.5 . . ?
H4A_29 C4_29 H4C_29 109.5 . . ?
H4B_29 C4_29 H4C_29 109.5 . . ?
H5A_29 C5_29 H5B_29 108.0 . . ?
C6_29 C5_29 H5A_29 109.3 . . ?
C6_29 C5_29 H5B_29 109.3 . . ?
C6_29 C5_29 P1_29 111.6 . . ?
P1_29 C5_29 H5A_29 109.3 . . ?
P1_29 C5_29 H5B_29 109.3 . . ?
C5_29 C6_29 H6A_29 109.5 . . ?
C5_29 C6_29 H6B_29 109.5 . . ?
C5_29 C6_29 H6C_29 109.5 . . ?
H6A_29 C6_29 H6B_29 109.5 . . ?
H6A_29 C6_29 H6C_29 109.5 . . ?
H6B_29 C6_29 H6C_29 109.5 . . ?
C1_29 P1_29 Pt7A 116.4 . . ?
C1_29 P1_29 C3_29 101.8 . . ?
C3_29 P1_29 Pt7A 114.6 . . ?
C5_29 P1_29 Pt7A 116.4 . . ?
C5_29 P1_29 C1_29 103.3 . . ?
C5_29 P1_29 C3_29 102.3 . . ?
O1_7 C1_7 C2_7 115.2 . . ?
O1_7 C1_7 O2_7 132.6 . . ?
O2_7 C1_7 C2_7 111.9 . . ?
C3_7 C2_7 C1_7 120.2 . . ?
C3_7 C2_7 N1_7 120.0 . . ?
N1_7 C2_7 C1_7 119.8 . . ?
C2_7 C3_7 H3_7 119.0 . . ?
C4_7 C3_7 C2_7 120.0 . . ?
C4_7 C3_7 H3_7 120.7 . . ?
C3_7 C4_7 C5_7 120.0 . . ?
C4_7 C5_7 H5_7 120.8 . . ?
C6_7 C5_7 C4_7 120.0 . . ?
C6_7 C5_7 H5_7 119.2 . . ?
C5_7 C6_7 C7_7 128.9 . . ?
N1_7 C6_7 C5_7 120.0 . . ?
N1_7 C6_7 C7_7 111.1 . . ?
C6_7 N1_7 C2_7 120.0 . . ?
O3_7 C7_7 C6_7 114.9 . . ?
O3_7 C7_7 O4_7 125.5 . . ?
O4_7 C7_7 C6_7 119.5 . . ?
C1_7 O1_7 Pt05 117.5 . 2_656 ?
C7_7 O3_7 Pt03 106.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt01 N2_5 C6_5 C7_5 -168.7 . . . . ?
Pt01 N2_5 C10_5 C9_5 168.8 . . . . ?
Pt02 N2_2 C6_2 C7_2 171.8 . . . . ?
Pt02 N2_2 C10_2 C9_2 -171.3 . . . . ?
Pt03 N1_3 C1_3 C2_3 172.0 . . . . ?
Pt03 N1_3 C5_3 C4_3 -172.3 . . . . ?
Pt4 N1_5 C1_5 C2_5 -157.1 . . . . ?
Pt4 N1_5 C5_5 C4_5 157.0 . . . . ?
Pt4 C1_6 C2_6 N1_6 152.6 . . . . ?
Pt4 C1_6 C2_6 C3_6 -27.4 . . . . ?
Pt4A N1_5 C1_5 C2_5 -173.3 . . . . ?
Pt4A N1_5 C5_5 C4_5 173.8 . . . . ?
Pt05 N2_3 C6_3 C7_3 161.7 . . . . ?
Pt05 N2_3 C10_3 C9_3 -160.3 . . . . ?
Pt06 N2_4 C6_4 C7_4 165.2 . . . . ?
Pt06 N2_4 C10_4 C9_4 -166.2 . . . . ?
Pt7 N1_4 C1_4 C2_4 176.0 . . . . ?
Pt7 N1_4 C5_4 C4_4 -175.8 . . . . ?
Pt08 N1_2 C1_2 C2_2 159.6 . . . . ?
Pt08 N1_2 C5_2 C4_2 -160.2 . . . . ?
N1_2 C1_2 C2_2 C3_2 0.0 . . . . ?
C1_2 N1_2 C5_2 C4_2 0.0 . . . . ?
C1_2 C2_2 C3_2 C4_2 0.0 . . . . ?
C1_2 C2_2 C3_2 C23_2 -177.2 . . . . ?
C2_2 C3_2 C4_2 C5_2 0.0 . . . . ?
C2_2 C3_2 C23_2 C24_2 75.1 . . . . ?
C2_2 C3_2 C23_2 C42_2 -100.0 . . . . ?
C3_2 C4_2 C5_2 N1_2 0.0 . . . . ?
C3_2 C23_2 C24_2 C25_2 -1.9 . . . . ?
C3_2 C23_2 C24_2 N3_2 175.8 . . . . ?
C3_2 C23_2 C42_2 C41_2 2.3 . . . . ?
C3_2 C23_2 C42_2 N6_2 -175.3 . . . . ?
C4_2 C3_2 C23_2 C24_2 -102.0 . . . . ?
C4_2 C3_2 C23_2 C42_2 82.9 . . . . ?
C5_2 N1_2 C1_2 C2_2 0.0 . . . . ?
N2_2 C6_2 C7_2 C8_2 0.0 . . . . ?
C6_2 N2_2 C10_2 C9_2 0.0 . . . . ?
C6_2 C7_2 C8_2 C9_2 0.0 . . . . ?
C6_2 C7_2 C8_2 C28_2 178.8 . . . . ?
C7_2 C8_2 C9_2 C10_2 0.0 . . . . ?
C7_2 C8_2 C28_2 C27_2 100.4 . . . . ?
C7_2 C8_2 C28_2 C29_2 -76.3 . . . . ?
C8_2 C9_2 C10_2 N2_2 0.0 . . . . ?
C8_2 C28_2 C29_2 C30_2 -1.7 . . . . ?
C8_2 C28_2 C29_2 N4_2 177.4 . . . . ?
C9_2 C8_2 C28_2 C27_2 -80.9 . . . . ?
C9_2 C8_2 C28_2 C29_2 102.5 . . . . ?
C10_2 N2_2 C6_2 C7_2 0.0 . . . . ?
C11_2 C12_2 C13_2 C14_2 0.0 . . . . ?
C11_2 C33_2 C34_2 C35_2 -6.7 . . . . ?
C11_2 C33_2 C34_2 N5_2 173.6 . . . . ?
C12_2 C11_2 C16_2 C15_2 0.0 . . . . ?
C12_2 C11_2 C33_2 C32_2 90.9 . . . . ?
C12_2 C11_2 C33_2 C34_2 -84.9 . . . . ?
C12_2 C13_2 C14_2 C15_2 0.0 . . . . ?
C13_2 C14_2 C15_2 C16_2 0.0 . . . . ?
C14_2 C15_2 C16_2 C11_2 0.0 . . . . ?
C16_2 C11_2 C12_2 C13_2 0.0 . . . . ?
C16_2 C11_2 C33_2 C32_2 -90.5 . . . . ?
C16_2 C11_2 C33_2 C34_2 93.7 . . . . ?
C17_2 C18_2 C19_2 C20_2 0.0 . . . . ?
C17_2 C38_2 C39_2 C40_2 3.2 . . . . ?
C17_2 C38_2 C39_2 N6_2 -173.3 . . . . ?
C18_2 C17_2 C22_2 C21_2 0.0 . . . . ?
C18_2 C17_2 C38_2 C37_2 69.5 . . . . ?
C18_2 C17_2 C38_2 C39_2 -110.0 . . . . ?
C18_2 C19_2 C20_2 C21_2 0.0 . . . . ?
C19_2 C20_2 C21_2 C22_2 0.0 . . . . ?
C20_2 C21_2 C22_2 C17_2 0.0 . . . . ?
C22_2 C17_2 C18_2 C19_2 0.0 . . . . ?
C22_2 C17_2 C38_2 C37_2 -107.0 . . . . ?
C22_2 C17_2 C38_2 C39_2 73.5 . . . . ?
C23_2 C3_2 C4_2 C5_2 177.2 . . . . ?
C23_2 C24_2 C25_2 C26_2 177.9 . . . . ?
C23_2 C24_2 N3_2 C27_2 -176.3 . . . . ?
C23_2 C42_2 N6_2 C39_2 178.0 . . . . ?
C24_2 C23_2 C42_2 C41_2 -172.1 . . . . ?
C24_2 C23_2 C42_2 N6_2 10.3 . . . . ?
C24_2 C25_2 C26_2 C27_2 -1.5 . . . . ?
C25_2 C24_2 N3_2 C27_2 1.8 . . . . ?
C25_2 C26_2 C27_2 C28_2 -177.0 . . . . ?
C25_2 C26_2 C27_2 N3_2 2.7 . . . . ?
C26_2 C27_2 C28_2 C8_2 3.4 . . . . ?
C26_2 C27_2 C28_2 C29_2 179.7 . . . . ?
C26_2 C27_2 N3_2 C24_2 -2.8 . . . . ?
C27_2 C28_2 C29_2 C30_2 -178.0 . . . . ?
C27_2 C28_2 C29_2 N4_2 1.1 . . . . ?
C28_2 C8_2 C9_2 C10_2 -178.7 . . . . ?
C28_2 C27_2 N3_2 C24_2 176.9 . . . . ?
C28_2 C29_2 C30_2 C31_2 176.8 . . . . ?
C28_2 C29_2 N4_2 C32_2 -178.2 . . . . ?
C29_2 C30_2 C31_2 C32_2 2.8 . . . . ?
C30_2 C29_2 N4_2 C32_2 1.0 . . . . ?
C30_2 C31_2 C32_2 C33_2 176.6 . . . . ?
C30_2 C31_2 C32_2 N4_2 -2.3 . . . . ?
C31_2 C32_2 C33_2 C11_2 5.1 . . . . ?
C31_2 C32_2 C33_2 C34_2 -179.5 . . . . ?
C31_2 C32_2 N4_2 C29_2 0.7 . . . . ?
C32_2 C33_2 C34_2 C35_2 177.9 . . . . ?
C32_2 C33_2 C34_2 N5_2 -1.8 . . . . ?
C33_2 C11_2 C12_2 C13_2 178.6 . . . . ?
C33_2 C11_2 C16_2 C15_2 -178.6 . . . . ?
C33_2 C32_2 N4_2 C29_2 -178.3 . . . . ?
C33_2 C34_2 C35_2 C36_2 -179.2 . . . . ?
C33_2 C34_2 N5_2 C37_2 177.1 . . . . ?
C34_2 C35_2 C36_2 C37_2 1.6 . . . . ?
C35_2 C34_2 N5_2 C37_2 -2.6 . . . . ?
C35_2 C36_2 C37_2 C38_2 -178.2 . . . . ?
C35_2 C36_2 C37_2 N5_2 -3.2 . . . . ?
C36_2 C37_2 C38_2 C17_2 -8.6 . . . . ?
C36_2 C37_2 C38_2 C39_2 170.9 . . . . ?
C36_2 C37_2 N5_2 C34_2 3.5 . . . . ?
C37_2 C38_2 C39_2 C40_2 -176.3 . . . . ?
C37_2 C38_2 C39_2 N6_2 7.2 . . . . ?
C38_2 C17_2 C18_2 C19_2 -176.4 . . . . ?
C38_2 C17_2 C22_2 C21_2 176.5 . . . . ?
C38_2 C37_2 N5_2 C34_2 178.9 . . . . ?
C38_2 C39_2 C40_2 C41_2 -175.5 . . . . ?
C38_2 C39_2 N6_2 C42_2 176.2 . . . . ?
C39_2 C40_2 C41_2 C42_2 -1.4 . . . . ?
C40_2 C39_2 N6_2 C42_2 -0.9 . . . . ?
C40_2 C41_2 C42_2 C23_2 -177.0 . . . . ?
C40_2 C41_2 C42_2 N6_2 0.8 . . . . ?
C41_2 C42_2 N6_2 C39_2 0.1 . . . . ?
C42_2 C23_2 C24_2 C25_2 172.5 . . . . ?
C42_2 C23_2 C24_2 N3_2 -9.7 . . . . ?
N3_2 C24_2 C25_2 C26_2 -0.1 . . . . ?
N3_2 C27_2 C28_2 C8_2 -176.2 . . . . ?
N3_2 C27_2 C28_2 C29_2 0.1 . . . . ?
N4_2 C29_2 C30_2 C31_2 -2.4 . . . . ?
N4_2 C32_2 C33_2 C11_2 -176.1 . . . . ?
N4_2 C32_2 C33_2 C34_2 -0.7 . . . . ?
N5_2 C34_2 C35_2 C36_2 0.6 . . . . ?
N5_2 C37_2 C38_2 C17_2 177.2 . . . . ?
N5_2 C37_2 C38_2 C39_2 -3.3 . . . . ?
N6_2 C39_2 C40_2 C41_2 1.5 . . . . ?
N1_3 C1_3 C2_3 C3_3 0.0 . . . . ?
C1_3 N1_3 C5_3 C4_3 0.0 . . . . ?
C1_3 C2_3 C3_3 C4_3 0.0 . . . . ?
C1_3 C2_3 C3_3 C23_3 178.5 . . . . ?
C2_3 C3_3 C4_3 C5_3 0.0 . . . . ?
C2_3 C3_3 C23_3 C24_3 73.2 . . . . ?
C2_3 C3_3 C23_3 C42_3 -108.4 . . . . ?
C3_3 C4_3 C5_3 N1_3 0.0 . . . . ?
C3_3 C23_3 C24_3 C25_3 2.5 . . . . ?
C3_3 C23_3 C24_3 N3_3 -179.5 . . . . ?
C3_3 C23_3 C42_3 C41_3 1.8 . . . . ?
C3_3 C23_3 C42_3 N6_3 -178.3 . . . . ?
C4_3 C3_3 C23_3 C24_3 -108.3 . . . . ?
C4_3 C3_3 C23_3 C42_3 70.1 . . . . ?
C5_3 N1_3 C1_3 C2_3 0.0 . . . . ?
N2_3 C6_3 C7_3 C8_3 0.0 . . . . ?
C6_3 N2_3 C10_3 C9_3 0.0 . . . . ?
C6_3 C7_3 C8_3 C9_3 0.0 . . . . ?
C6_3 C7_3 C8_3 C28_3 -178.2 . . . . ?
C7_3 C8_3 C9_3 C10_3 0.0 . . . . ?
C7_3 C8_3 C28_3 C27_3 100.3 . . . . ?
C7_3 C8_3 C28_3 C29_3 -86.9 . . . . ?
C8_3 C9_3 C10_3 N2_3 0.0 . . . . ?
C8_3 C28_3 C29_3 C30_3 0.6 . . . . ?
C8_3 C28_3 C29_3 N4_3 176.9 . . . . ?
C9_3 C8_3 C28_3 C27_3 -77.9 . . . . ?
C9_3 C8_3 C28_3 C29_3 95.0 . . . . ?
C10_3 N2_3 C6_3 C7_3 0.0 . . . . ?
C11_3 C12_3 C13_3 C14_3 0.0 . . . . ?
C11_3 C33_3 C34_3 C35_3 -7.2 . . . . ?
C11_3 C33_3 C34_3 N5_3 -171.8 . . . . ?
C12_3 C11_3 C16_3 C15_3 0.0 . . . . ?
C12_3 C11_3 C33_3 C32_3 102.5 . . . . ?
C12_3 C11_3 C33_3 C34_3 -71.2 . . . . ?
C12_3 C13_3 C14_3 C15_3 0.0 . . . . ?
C13_3 C14_3 C15_3 C16_3 0.0 . . . . ?
C14_3 C15_3 C16_3 C11_3 0.0 . . . . ?
C16_3 C11_3 C12_3 C13_3 0.0 . . . . ?
C16_3 C11_3 C33_3 C32_3 -82.5 . . . . ?
C16_3 C11_3 C33_3 C34_3 103.8 . . . . ?
C17_3 C18_3 C19_3 C20_3 0.0 . . . . ?
C17_3 C38_3 C39_3 C40_3 -8.2 . . . . ?
C17_3 C38_3 C39_3 N6_3 178.5 . . . . ?
C18_3 C17_3 C22_3 C21_3 0.0 . . . . ?
C18_3 C17_3 C38_3 C37_3 81.1 . . . . ?
C18_3 C17_3 C38_3 C39_3 -96.0 . . . . ?
C18_3 C19_3 C20_3 C21_3 0.0 . . . . ?
C19_3 C20_3 C21_3 C22_3 0.0 . . . . ?
C20_3 C21_3 C22_3 C17_3 0.0 . . . . ?
C22_3 C17_3 C18_3 C19_3 0.0 . . . . ?
C22_3 C17_3 C38_3 C37_3 -98.8 . . . . ?
C22_3 C17_3 C38_3 C39_3 84.1 . . . . ?
C23_3 C3_3 C4_3 C5_3 -178.5 . . . . ?
C23_3 C24_3 C25_3 C26_3 177.6 . . . . ?
C23_3 C24_3 N3_3 C27_3 -179.4 . . . . ?
C23_3 C42_3 N6_3 C39_3 177.7 . . . . ?
C24_3 C23_3 C42_3 C41_3 179.9 . . . . ?
C24_3 C23_3 C42_3 N6_3 -0.2 . . . . ?
C24_3 C25_3 C26_3 C27_3 1.9 . . . . ?
C25_3 C24_3 N3_3 C27_3 -1.1 . . . . ?
C25_3 C26_3 C27_3 C28_3 -180.0 . . . . ?
C25_3 C26_3 C27_3 N3_3 -2.7 . . . . ?
C26_3 C27_3 C28_3 C8_3 -2.4 . . . . ?
C26_3 C27_3 C28_3 C29_3 -174.5 . . . . ?
C26_3 C27_3 N3_3 C24_3 2.3 . . . . ?
C27_3 C28_3 C29_3 C30_3 172.8 . . . . ?
C27_3 C28_3 C29_3 N4_3 -10.9 . . . . ?
C28_3 C8_3 C9_3 C10_3 178.1 . . . . ?
C28_3 C27_3 N3_3 C24_3 179.5 . . . . ?
C28_3 C29_3 C30_3 C31_3 -179.7 . . . . ?
C28_3 C29_3 N4_3 C32_3 -178.7 . . . . ?
C29_3 C30_3 C31_3 C32_3 -3.9 . . . . ?
C30_3 C29_3 N4_3 C32_3 -1.9 . . . . ?
C30_3 C31_3 C32_3 C33_3 179.0 . . . . ?
C30_3 C31_3 C32_3 N4_3 2.9 . . . . ?
C31_3 C32_3 C33_3 C11_3 1.1 . . . . ?
C31_3 C32_3 C33_3 C34_3 174.0 . . . . ?
C31_3 C32_3 N4_3 C29_3 -0.4 . . . . ?
C32_3 C33_3 C34_3 C35_3 179.9 . . . . ?
C32_3 C33_3 C34_3 N5_3 15.3 . . . . ?
C33_3 C11_3 C12_3 C13_3 174.9 . . . . ?
C33_3 C11_3 C16_3 C15_3 -175.1 . . . . ?
C33_3 C32_3 N4_3 C29_3 -176.8 . . . . ?
C33_3 C34_3 C35_3 C36_3 -177.3 . . . . ?
C33_3 C34_3 N5_3 C37_3 174.6 . . . . ?
C34_3 C35_3 C36_3 C37_3 8.1 . . . . ?
C35_3 C34_3 N5_3 C37_3 7.8 . . . . ?
C35_3 C36_3 C37_3 C38_3 171.1 . . . . ?
C35_3 C36_3 C37_3 N5_3 -3.5 . . . . ?
C36_3 C37_3 C38_3 C17_3 7.1 . . . . ?
C36_3 C37_3 C38_3 C39_3 -176.1 . . . . ?
C36_3 C37_3 N5_3 C34_3 -3.2 . . . . ?
C37_3 C38_3 C39_3 C40_3 175.1 . . . . ?
C37_3 C38_3 C39_3 N6_3 1.8 . . . . ?
C38_3 C17_3 C18_3 C19_3 -179.9 . . . . ?
C38_3 C17_3 C22_3 C21_3 179.9 . . . . ?
C38_3 C37_3 N5_3 C34_3 -178.1 . . . . ?
C38_3 C39_3 C40_3 C41_3 -171.9 . . . . ?
C38_3 C39_3 N6_3 C42_3 174.7 . . . . ?
C39_3 C40_3 C41_3 C42_3 -3.7 . . . . ?
C40_3 C39_3 N6_3 C42_3 0.2 . . . . ?
C40_3 C41_3 C42_3 C23_3 -176.2 . . . . ?
C40_3 C41_3 C42_3 N6_3 3.8 . . . . ?
C41_3 C42_3 N6_3 C39_3 -2.4 . . . . ?
C42_3 C23_3 C24_3 C25_3 -175.6 . . . . ?
C42_3 C23_3 C24_3 N3_3 2.4 . . . . ?
N3_3 C24_3 C25_3 C26_3 -0.6 . . . . ?
N3_3 C27_3 C28_3 C8_3 -179.1 . . . . ?
N3_3 C27_3 C28_3 C29_3 8.7 . . . . ?
N4_3 C29_3 C30_3 C31_3 3.6 . . . . ?
N4_3 C32_3 C33_3 C11_3 176.4 . . . . ?
N4_3 C32_3 C33_3 C34_3 -10.6 . . . . ?
N5_3 C34_3 C35_3 C36_3 -10.1 . . . . ?
N5_3 C37_3 C38_3 C17_3 -179.3 . . . . ?
N5_3 C37_3 C38_3 C39_3 -2.5 . . . . ?
N6_3 C39_3 C40_3 C41_3 2.3 . . . . ?
N1_4 C1_4 C2_4 C3_4 0.0 . . . . ?
C1_4 N1_4 C5_4 C4_4 0.0 . . . . ?
C1_4 C2_4 C3_4 C4_4 0.0 . . . . ?
C1_4 C2_4 C3_4 C23_4 -179.6 . . . . ?
C2_4 C3_4 C4_4 C5_4 0.0 . . . . ?
C2_4 C3_4 C23_4 C24_4 105.7 . . . . ?
C2_4 C3_4 C23_4 C42_4 -81.3 . . . . ?
C3_4 C4_4 C5_4 N1_4 0.0 . . . . ?
C3_4 C23_4 C24_4 C25_4 -3.0 . . . . ?
C3_4 C23_4 C24_4 N3_4 -175.8 . . . . ?
C3_4 C23_4 C42_4 C41_4 4.4 . . . . ?
C3_4 C23_4 C42_4 N6_4 174.6 . . . . ?
C4_4 C3_4 C23_4 C24_4 -73.9 . . . . ?
C4_4 C3_4 C23_4 C42_4 99.1 . . . . ?
C5_4 N1_4 C1_4 C2_4 0.0 . . . . ?
N2_4 C6_4 C7_4 C8_4 0.0 . . . . ?
C6_4 N2_4 C10_4 C9_4 0.0 . . . . ?
C6_4 C7_4 C8_4 C9_4 0.0 . . . . ?
C6_4 C7_4 C8_4 C28_4 175.2 . . . . ?
C7_4 C8_4 C9_4 C10_4 0.0 . . . . ?
C7_4 C8_4 C28_4 C27_4 81.0 . . . . ?
C7_4 C8_4 C28_4 C29_4 -102.9 . . . . ?
C8_4 C9_4 C10_4 N2_4 0.0 . . . . ?
C8_4 C28_4 C29_4 C30_4 3.5 . . . . ?
C8_4 C28_4 C29_4 N4_4 -178.9 . . . . ?
C9_4 C8_4 C28_4 C27_4 -103.8 . . . . ?
C9_4 C8_4 C28_4 C29_4 72.3 . . . . ?
C10_4 N2_4 C6_4 C7_4 0.0 . . . . ?
C11_4 C12_4 C13_4 C14_4 0.0 . . . . ?
C11_4 C33_4 C34_4 C35_4 7.1 . . . . ?
C11_4 C33_4 C34_4 N5_4 -177.1 . . . . ?
C12_4 C11_4 C16_4 C15_4 0.0 . . . . ?
C12_4 C11_4 C33_4 C32_4 104.0 . . . . ?
C12_4 C11_4 C33_4 C34_4 -76.4 . . . . ?
C12_4 C13_4 C14_4 C15_4 0.0 . . . . ?
C13_4 C14_4 C15_4 C16_4 0.0 . . . . ?
C14_4 C15_4 C16_4 C11_4 0.0 . . . . ?
C16_4 C11_4 C12_4 C13_4 0.0 . . . . ?
C16_4 C11_4 C33_4 C32_4 -74.8 . . . . ?
C16_4 C11_4 C33_4 C34_4 104.8 . . . . ?
C17_4 C18_4 C19_4 C20_4 0.0 . . . . ?
C17_4 C38_4 C39_4 C40_4 1.1 . . . . ?
C17_4 C38_4 C39_4 N6_4 172.7 . . . . ?
C18_4 C17_4 C22_4 C21_4 0.0 . . . . ?
C18_4 C17_4 C38_4 C37_4 109.8 . . . . ?
C18_4 C17_4 C38_4 C39_4 -72.8 . . . . ?
C18_4 C19_4 C20_4 C21_4 0.0 . . . . ?
C19_4 C20_4 C21_4 C22_4 0.0 . . . . ?
C20_4 C21_4 C22_4 C17_4 0.0 . . . . ?
C22_4 C17_4 C18_4 C19_4 0.0 . . . . ?
C22_4 C17_4 C38_4 C37_4 -68.4 . . . . ?
C22_4 C17_4 C38_4 C39_4 109.0 . . . . ?
C23_4 C3_4 C4_4 C5_4 179.6 . . . . ?
C23_4 C24_4 C25_4 C26_4 -175.6 . . . . ?
C23_4 C24_4 N3_4 C27_4 174.2 . . . . ?
C23_4 C42_4 N6_4 C39_4 -178.3 . . . . ?
C24_4 C23_4 C42_4 C41_4 176.5 . . . . ?
C24_4 C23_4 C42_4 N6_4 -13.3 . . . . ?
C24_4 C25_4 C26_4 C27_4 2.5 . . . . ?
C25_4 C24_4 N3_4 C27_4 0.3 . . . . ?
C25_4 C26_4 C27_4 C28_4 176.6 . . . . ?
C25_4 C26_4 C27_4 N3_4 -2.4 . . . . ?
C26_4 C27_4 C28_4 C8_4 -0.9 . . . . ?
C26_4 C27_4 C28_4 C29_4 -176.6 . . . . ?
C26_4 C27_4 N3_4 C24_4 1.2 . . . . ?
C27_4 C28_4 C29_4 C30_4 179.2 . . . . ?
C27_4 C28_4 C29_4 N4_4 -3.2 . . . . ?
C28_4 C8_4 C9_4 C10_4 -175.2 . . . . ?
C28_4 C27_4 N3_4 C24_4 -177.7 . . . . ?
C28_4 C29_4 C30_4 C31_4 179.6 . . . . ?
C28_4 C29_4 N4_4 C32_4 -178.8 . . . . ?
C29_4 C30_4 C31_4 C32_4 -1.8 . . . . ?
C30_4 C29_4 N4_4 C32_4 -0.9 . . . . ?
C30_4 C31_4 C32_4 C33_4 -179.6 . . . . ?
C30_4 C31_4 C32_4 N4_4 1.3 . . . . ?
C31_4 C32_4 C33_4 C11_4 -2.0 . . . . ?
C31_4 C32_4 C33_4 C34_4 178.4 . . . . ?
C31_4 C32_4 N4_4 C29_4 -0.1 . . . . ?
C32_4 C33_4 C34_4 C35_4 -173.4 . . . . ?
C32_4 C33_4 C34_4 N5_4 2.4 . . . . ?
C33_4 C11_4 C12_4 C13_4 -178.8 . . . . ?
C33_4 C11_4 C16_4 C15_4 178.9 . . . . ?
C33_4 C32_4 N4_4 C29_4 -179.3 . . . . ?
C33_4 C34_4 C35_4 C36_4 174.1 . . . . ?
C33_4 C34_4 N5_4 C37_4 -173.6 . . . . ?
C34_4 C35_4 C36_4 C37_4 1.1 . . . . ?
C35_4 C34_4 N5_4 C37_4 2.8 . . . . ?
C35_4 C36_4 C37_4 C38_4 175.5 . . . . ?
C35_4 C36_4 C37_4 N5_4 0.6 . . . . ?
C36_4 C37_4 C38_4 C17_4 6.3 . . . . ?
C36_4 C37_4 C38_4 C39_4 -170.7 . . . . ?
C36_4 C37_4 N5_4 C34_4 -2.2 . . . . ?
C37_4 C38_4 C39_4 C40_4 178.1 . . . . ?
C37_4 C38_4 C39_4 N6_4 -10.2 . . . . ?
C38_4 C17_4 C18_4 C19_4 -178.2 . . . . ?
C38_4 C17_4 C22_4 C21_4 178.2 . . . . ?
C38_4 C37_4 N5_4 C34_4 -177.5 . . . . ?
C38_4 C39_4 C40_4 C41_4 178.5 . . . . ?
C38_4 C39_4 N6_4 C42_4 -172.1 . . . . ?
C39_4 C40_4 C41_4 C42_4 -9.4 . . . . ?
C40_4 C39_4 N6_4 C42_4 1.0 . . . . ?
C40_4 C41_4 C42_4 C23_4 -178.5 . . . . ?
C40_4 C41_4 C42_4 N6_4 10.2 . . . . ?
C41_4 C42_4 N6_4 C39_4 -6.6 . . . . ?
C42_4 C23_4 C24_4 C25_4 -175.1 . . . . ?
C42_4 C23_4 C24_4 N3_4 12.2 . . . . ?
N3_4 C24_4 C25_4 C26_4 -1.8 . . . . ?
N3_4 C27_4 C28_4 C8_4 177.9 . . . . ?
N3_4 C27_4 C28_4 C29_4 2.2 . . . . ?
N4_4 C29_4 C30_4 C31_4 1.7 . . . . ?
N4_4 C32_4 C33_4 C11_4 176.9 . . . . ?
N4_4 C32_4 C33_4 C34_4 -2.6 . . . . ?
N5_4 C34_4 C35_4 C36_4 -2.5 . . . . ?
N5_4 C37_4 C38_4 C17_4 -179.6 . . . . ?
N5_4 C37_4 C38_4 C39_4 3.4 . . . . ?
N6_4 C39_4 C40_4 C41_4 5.6 . . . . ?
N1_5 Pt4 O1_6 C1_6 -98.1 . . . . ?
N1_5 C1_5 C2_5 C3_5 0.0 . . . . ?
C1_5 N1_5 C5_5 C4_5 0.0 . . . . ?
C1_5 C2_5 C3_5 C4_5 0.0 . . . . ?
C1_5 C2_5 C3_5 C23_5 -178.1 . . . . ?
C2_5 C3_5 C4_5 C5_5 0.0 . . . . ?
C2_5 C3_5 C23_5 C24_5 -81.4 . . . . ?
C2_5 C3_5 C23_5 C42_5 99.8 . . . . ?
C3_5 C4_5 C5_5 N1_5 0.0 . . . . ?
C3_5 C23_5 C24_5 C25_5 1.2 . . . . ?
C3_5 C23_5 C24_5 N3_5 -174.6 . . . . ?
C3_5 C23_5 C42_5 C41_5 0.4 . . . . ?
C3_5 C23_5 C42_5 N6_5 178.2 . . . . ?
C4_5 C3_5 C23_5 C24_5 100.5 . . . . ?
C4_5 C3_5 C23_5 C42_5 -78.3 . . . . ?
C5_5 N1_5 C1_5 C2_5 0.0 . . . . ?
N2_5 Pt01 O6_6 C14_6 60.8 . . . . ?
N2_5 C6_5 C7_5 C8_5 0.0 . . . . ?
C6_5 N2_5 C10_5 C9_5 0.0 . . . . ?
C6_5 C7_5 C8_5 C9_5 0.0 . . . . ?
C6_5 C7_5 C8_5 C28_5 179.1 . . . . ?
C7_5 C8_5 C9_5 C10_5 0.0 . . . . ?
C7_5 C8_5 C28_5 C27_5 -102.3 . . . . ?
C7_5 C8_5 C28_5 C29_5 79.0 . . . . ?
C8_5 C9_5 C10_5 N2_5 0.0 . . . . ?
C8_5 C28_5 C29_5 C30_5 1.0 . . . . ?
C8_5 C28_5 C29_5 N4_5 -175.6 . . . . ?
C9_5 C8_5 C28_5 C27_5 76.8 . . . . ?
C9_5 C8_5 C28_5 C29_5 -101.9 . . . . ?
C10_5 N2_5 C6_5 C7_5 0.0 . . . . ?
C11_5 C12_5 C13_5 C14_5 0.0 . . . . ?
C11_5 C33_5 C34_5 C35_5 -2.4 . . . . ?
C11_5 C33_5 C34_5 N5_5 178.2 . . . . ?
C12_5 C11_5 C16_5 C15_5 0.0 . . . . ?
C12_5 C11_5 C33_5 C32_5 -110.3 . . . . ?
C12_5 C11_5 C33_5 C34_5 66.2 . . . . ?
C12_5 C13_5 C14_5 C15_5 0.0 . . . . ?
C13_5 C14_5 C15_5 C16_5 0.0 . . . . ?
C14_5 C15_5 C16_5 C11_5 0.0 . . . . ?
C16_5 C11_5 C12_5 C13_5 0.0 . . . . ?
C16_5 C11_5 C33_5 C32_5 72.0 . . . . ?
C16_5 C11_5 C33_5 C34_5 -111.5 . . . . ?
C17_5 C18_5 C19_5 C20_5 0.0 . . . . ?
C17_5 C38_5 C39_5 C40_5 9.1 . . . . ?
C17_5 C38_5 C39_5 N6_5 -178.1 . . . . ?
C18_5 C17_5 C22_5 C21_5 0.0 . . . . ?
C18_5 C17_5 C38_5 C37_5 -95.6 . . . . ?
C18_5 C17_5 C38_5 C39_5 81.9 . . . . ?
C18_5 C19_5 C20_5 C21_5 0.0 . . . . ?
C19_5 C20_5 C21_5 C22_5 0.0 . . . . ?
C20_5 C21_5 C22_5 C17_5 0.0 . . . . ?
C22_5 C17_5 C18_5 C19_5 0.0 . . . . ?
C22_5 C17_5 C38_5 C37_5 87.3 . . . . ?
C22_5 C17_5 C38_5 C39_5 -95.2 . . . . ?
C23_5 C3_5 C4_5 C5_5 178.1 . . . . ?
C23_5 C24_5 C25_5 C26_5 -172.9 . . . . ?
C23_5 C24_5 N3_5 C27_5 176.3 . . . . ?
C23_5 C42_5 N6_5 C39_5 -177.4 . . . . ?
C24_5 C23_5 C42_5 C41_5 -178.2 . . . . ?
C24_5 C23_5 C42_5 N6_5 -0.4 . . . . ?
C24_5 C25_5 C26_5 C27_5 -5.0 . . . . ?
C25_5 C24_5 N3_5 C27_5 -0.2 . . . . ?
C25_5 C26_5 C27_5 C28_5 -175.0 . . . . ?
C25_5 C26_5 C27_5 N3_5 5.1 . . . . ?
C26_5 C27_5 C28_5 C8_5 -1.9 . . . . ?
C26_5 C27_5 C28_5 C29_5 176.7 . . . . ?
C26_5 C27_5 N3_5 C24_5 -2.9 . . . . ?
C27_5 C28_5 C29_5 C30_5 -177.6 . . . . ?
C27_5 C28_5 C29_5 N4_5 5.9 . . . . ?
C28_5 C8_5 C9_5 C10_5 -179.1 . . . . ?
C28_5 C27_5 N3_5 C24_5 177.2 . . . . ?
C28_5 C29_5 C30_5 C31_5 178.0 . . . . ?
C28_5 C29_5 N4_5 C32_5 -176.4 . . . . ?
C29_5 C30_5 C31_5 C32_5 1.4 . . . . ?
C30_5 C29_5 N4_5 C32_5 6.6 . . . . ?
C30_5 C31_5 C32_5 C33_5 -176.2 . . . . ?
C30_5 C31_5 C32_5 N4_5 2.4 . . . . ?
C31_5 C32_5 C33_5 C11_5 1.7 . . . . ?
C31_5 C32_5 C33_5 C34_5 -174.6 . . . . ?
C31_5 C32_5 N4_5 C29_5 -5.5 . . . . ?
C32_5 C33_5 C34_5 C35_5 173.7 . . . . ?
C32_5 C33_5 C34_5 N5_5 -5.7 . . . . ?
C33_5 C11_5 C12_5 C13_5 -177.7 . . . . ?
C33_5 C11_5 C16_5 C15_5 177.8 . . . . ?
C33_5 C32_5 N4_5 C29_5 173.2 . . . . ?
C33_5 C34_5 C35_5 C36_5 179.6 . . . . ?
C33_5 C34_5 N5_5 C37_5 178.6 . . . . ?
C34_5 C35_5 C36_5 C37_5 2.2 . . . . ?
C35_5 C34_5 N5_5 C37_5 -0.9 . . . . ?
C35_5 C36_5 C37_5 C38_5 -174.7 . . . . ?
C35_5 C36_5 C37_5 N5_5 -2.8 . . . . ?
C36_5 C37_5 C38_5 C17_5 -12.4 . . . . ?
C36_5 C37_5 C38_5 C39_5 170.4 . . . . ?
C36_5 C37_5 N5_5 C34_5 2.1 . . . . ?
C37_5 C38_5 C39_5 C40_5 -173.8 . . . . ?
C37_5 C38_5 C39_5 N6_5 -1.0 . . . . ?
C38_5 C17_5 C18_5 C19_5 -177.1 . . . . ?
C38_5 C17_5 C22_5 C21_5 177.1 . . . . ?
C38_5 C37_5 N5_5 C34_5 174.2 . . . . ?
C38_5 C39_5 C40_5 C41_5 179.6 . . . . ?
C38_5 C39_5 N6_5 C42_5 -177.8 . . . . ?
C39_5 C40_5 C41_5 C42_5 -5.2 . . . . ?
C40_5 C39_5 N6_5 C42_5 -3.7 . . . . ?
C40_5 C41_5 C42_5 C23_5 -179.1 . . . . ?
C40_5 C41_5 C42_5 N6_5 2.8 . . . . ?
C41_5 C42_5 N6_5 C39_5 0.7 . . . . ?
C42_5 C23_5 C24_5 C25_5 179.8 . . . . ?
C42_5 C23_5 C24_5 N3_5 4.0 . . . . ?
N3_5 C24_5 C25_5 C26_5 3.5 . . . . ?
N3_5 C27_5 C28_5 C8_5 178.0 . . . . ?
N3_5 C27_5 C28_5 C29_5 -3.4 . . . . ?
N4_5 C29_5 C30_5 C31_5 -5.0 . . . . ?
N4_5 C32_5 C33_5 C11_5 -176.7 . . . . ?
N4_5 C32_5 C33_5 C34_5 7.1 . . . . ?
N5_5 C34_5 C35_5 C36_5 -0.9 . . . . ?
N5_5 C37_5 C38_5 C17_5 177.2 . . . . ?
N5_5 C37_5 C38_5 C39_5 0.0 . . . . ?
N6_5 C39_5 C40_5 C41_5 5.8 . . . . ?
C1_6 C2_6 C3_6 C4_6 180.0 . . . . ?
N1_6 C2_6 C3_6 C4_6 0.0 . . . . ?
N1_6 C6_6 C7_6 O3_6 163.3 . . . . ?
N1_6 C6_6 C7_6 O4_6 -1.1 . . . . ?
C2_6 C1_6 O1_6 Pt4 -178.8 . . . . ?
C2_6 C1_6 O1_6 Pt4A 167.7 . . . . ?
C2_6 C1_6 O2_6 Pt4 176.5 . . . . ?
C2_6 N1_6 C6_6 C5_6 0.0 . . . . ?
C2_6 N1_6 C6_6 C7_6 179.8 . . . . ?
C2_6 C3_6 C4_6 C5_6 0.0 . . . . ?
C2_6 C3_6 C4_6 C8_6 179.8 . . . . ?
C3_6 C4_6 C5_6 C6_6 0.0 . . . . ?
C3_6 C4_6 C8_6 C9_6 -143.6 . . . . ?
C3_6 C4_6 C8_6 C12_6 36.3 . . . . ?
C4_6 C5_6 C6_6 N1_6 0.0 . . . . ?
C4_6 C5_6 C6_6 C7_6 -179.8 . . . . ?
C4_6 C8_6 C9_6 C10_6 180.0 . . . . ?
C4_6 C8_6 C12_6 C11_6 -180.0 . . . . ?
C5_6 C4_6 C8_6 C9_6 36.1 . . . . ?
C5_6 C4_6 C8_6 C12_6 -143.9 . . . . ?
C5_6 C6_6 C7_6 O3_6 -16.9 . . . . ?
C5_6 C6_6 C7_6 O4_6 178.7 . . . . ?
C6_6 N1_6 C2_6 C1_6 -180.0 . . . . ?
C6_6 N1_6 C2_6 C3_6 0.0 . . . . ?
C6_6 C7_6 O3_6 Pt02 168.6 . . . . ?
C8_6 C4_6 C5_6 C6_6 -179.8 . . . . ?
C8_6 C9_6 C10_6 N2_6 0.0 . . . . ?
C8_6 C9_6 C10_6 C14_6 179.9 . . . . ?
C9_6 C8_6 C12_6 C11_6 0.0 . . . . ?
C9_6 C10_6 N2_6 C11_6 0.0 . . . . ?
C9_6 C10_6 C14_6 O5_6 7.1 . . . . ?
C9_6 C10_6 C14_6 O6_6 -167.6 . . . . ?
C10_6 N2_6 C11_6 C12_6 0.0 . . . . ?
C10_6 N2_6 C11_6 C13_6 179.8 . . . . ?
C10_6 C14_6 O6_6 Pt01 -154.3 . . . . ?
N2_6 C10_6 C14_6 O5_6 -173.0 . . . . ?
N2_6 C10_6 C14_6 O6_6 12.3 . . . . ?
N2_6 C11_6 C12_6 C8_6 0.0 . . . . ?
N2_6 C11_6 C13_6 O7_6 172.2 . . . . ?
N2_6 C11_6 C13_6 O8_6 -3.8 . . . . ?
C11_6 C13_6 O7_6 Pt08 174.3 . . . . ?
C12_6 C8_6 C9_6 C10_6 0.0 . . . . ?
C12_6 C11_6 C13_6 O7_6 -8.0 . . . . ?
C12_6 C11_6 C13_6 O8_6 176.0 . . . . ?
C13_6 C11_6 C12_6 C8_6 -179.8 . . . . ?
C14_6 C10_6 N2_6 C11_6 -179.9 . . . . ?
O1_6 C1_6 C2_6 N1_6 155.6 . . . . ?
O1_6 C1_6 C2_6 C3_6 -24.3 . . . . ?
O1_6 C1_6 O2_6 Pt4 6.4 . . . . ?
O2_6 Pt4 O1_6 C1_6 4.4 . . . . ?
O2_6 C1_6 C2_6 N1_6 -14.8 . . . . ?
O2_6 C1_6 C2_6 C3_6 165.2 . . . . ?
O2_6 C1_6 O1_6 Pt4 -9.0 . . . . ?
O2_6 C1_6 O1_6 Pt4A -22.5 . . . . ?
O4_6 C7_6 O3_6 Pt02 -28.0 . . . . ?
O5_6 C14_6 O6_6 Pt01 31.3 . . . . ?
O8_6 C13_6 O7_6 Pt08 -9.9 . . . . ?
C2_8 C1_8 P1_8 Pt02 -47.7 . . . . ?
C2_8 C1_8 P1_8 C3_8 73.0 . . . . ?
C2_8 C1_8 P1_8 C5_8 -179.7 . . . . ?
C4_8 C3_8 P1_8 Pt02 177.6 . . . . ?
C4_8 C3_8 P1_8 C1_8 58.4 . . . . ?
C4_8 C3_8 P1_8 C5_8 -48.9 . . . . ?
C6_8 C5_8 P1_8 Pt02 62.8 . . . . ?
C6_8 C5_8 P1_8 C1_8 -172.5 . . . . ?
C6_8 C5_8 P1_8 C3_8 -65.2 . . . . ?
C1_9 C2_9 C3_9 C4_9 179.9 . . . . ?
N1_9 C2_9 C3_9 C4_9 0.0 . . . . ?
N1_9 C6_9 C7_9 O3_9 -152.0 . . . . ?
N1_9 C6_9 C7_9 O4_9 14.5 . . . . ?
C2_9 C1_9 O1_9 Pt06 -169.3 . . . . ?
C2_9 N1_9 C6_9 C5_9 0.0 . . . . ?
C2_9 N1_9 C6_9 C7_9 -179.7 . . . . ?
C2_9 C3_9 C4_9 C5_9 0.0 . . . . ?
C2_9 C3_9 C4_9 C8_9 179.9 . . . . ?
C3_9 C4_9 C5_9 C6_9 0.0 . . . . ?
C3_9 C4_9 C8_9 C9_9 147.3 . . . . ?
C3_9 C4_9 C8_9 C12_9 -32.7 . . . . ?
C4_9 C5_9 C6_9 N1_9 0.0 . . . . ?
C4_9 C5_9 C6_9 C7_9 179.7 . . . . ?
C4_9 C8_9 C9_9 C10_9 -180.0 . . . . ?
C4_9 C8_9 C12_9 C11_9 180.0 . . . . ?
C5_9 C4_9 C8_9 C9_9 -32.8 . . . . ?
C5_9 C4_9 C8_9 C12_9 147.2 . . . . ?
C5_9 C6_9 C7_9 O3_9 28.3 . . . . ?
C5_9 C6_9 C7_9 O4_9 -165.2 . . . . ?
C6_9 N1_9 C2_9 C1_9 -179.9 . . . . ?
C6_9 N1_9 C2_9 C3_9 0.0 . . . . ?
C8_9 C4_9 C5_9 C6_9 -179.9 . . . . ?
C8_9 C9_9 C10_9 N2_9 0.0 . . . . ?
C8_9 C9_9 C10_9 C14_9 -179.9 . . . . ?
C9_9 C8_9 C12_9 C11_9 0.0 . . . . ?
C9_9 C10_9 N2_9 C11_9 0.0 . . . . ?
C9_9 C10_9 C14_9 O5_9 -9.7 . . . . ?
C9_9 C10_9 C14_9 O6_9 -174.2 . . . . ?
C10_9 N2_9 C11_9 C12_9 0.0 . . . . ?
C10_9 N2_9 C11_9 C13_9 -179.9 . . . . ?
C10_9 C14_9 O6_9 Pt7 164.5 . . . . ?
N2_9 C10_9 C14_9 O5_9 170.4 . . . . ?
N2_9 C10_9 C14_9 O6_9 5.9 . . . . ?
N2_9 C11_9 C12_9 C8_9 0.0 . . . . ?
N2_9 C11_9 C13_9 O7_9 1.5 . . . . ?
N2_9 C11_9 C13_9 O8_9 -170.4 . . . . ?
C11_9 C13_9 O8_9 Pt7A -173.9 . . . . ?
C12_9 C8_9 C9_9 C10_9 0.0 . . . . ?
C12_9 C11_9 C13_9 O7_9 -178.5 . . . . ?
C12_9 C11_9 C13_9 O8_9 9.6 . . . . ?
C13_9 C11_9 C12_9 C8_9 179.9 . . . . ?
C14_9 C10_9 N2_9 C11_9 179.9 . . . . ?
O1_9 C1_9 C2_9 N1_9 -163.1 . . . . ?
O1_9 C1_9 C2_9 C3_9 17.0 . . . . ?
O2_9 C1_9 C2_9 N1_9 6.0 . . . . ?
O2_9 C1_9 C2_9 C3_9 -174.0 . . . . ?
O2_9 C1_9 O1_9 Pt06 22.3 . . . . ?
O5_9 C14_9 O6_9 Pt7 0.8 . . . . ?
O7_9 C13_9 O8_9 Pt7A 14.6 . . . . ?
C2_13 C1_13 P1_13 Pt02 -56.6 . . . . ?
C2_13 C1_13 P1_13 C3_13 170.7 . . . . ?
C2_13 C1_13 P1_13 C5_13 64.1 . . . . ?
C4_13 C3_13 P1_13 Pt02 54.5 . . . . ?
C4_13 C3_13 P1_13 C1_13 -175.0 . . . . ?
C4_13 C3_13 P1_13 C5_13 -69.0 . . . . ?
C6_13 C5_13 P1_13 Pt02 179.4 . . . . ?
C6_13 C5_13 P1_13 C1_13 55.1 . . . . ?
C6_13 C5_13 P1_13 C3_13 -51.6 . . . . ?
C2_14 C1_14 P1_14 Pt01 -54.8 . . . . ?
C2_14 C1_14 P1_14 C3_14 173.1 . . . . ?
C2_14 C1_14 P1_14 C5_14 65.7 . . . . ?
C4_14 C3_14 P1_14 Pt01 49.8 . . . . ?
C4_14 C3_14 P1_14 C1_14 -179.8 . . . . ?
C4_14 C3_14 P1_14 C5_14 -72.5 . . . . ?
C6_14 C5_14 P1_14 Pt01 175.7 . . . . ?
C6_14 C5_14 P1_14 C1_14 51.0 . . . . ?
C6_14 C5_14 P1_14 C3_14 -56.2 . . . . ?
C2_15 C1_15 P1_15 Pt01 -58.7 . . . . ?
C2_15 C1_15 P1_15 C3_15 59.8 . . . . ?
C2_15 C1_15 P1_15 C5_15 168.0 . . . . ?
C4_15 C3_15 P1_15 Pt01 -173.8 . . . . ?
C4_15 C3_15 P1_15 C1_15 62.0 . . . . ?
C4_15 C3_15 P1_15 C5_15 -45.6 . . . . ?
C6_15 C5_15 P1_15 Pt01 61.1 . . . . ?
C6_15 C5_15 P1_15 C1_15 -167.4 . . . . ?
C6_15 C5_15 P1_15 C3_15 -59.7 . . . . ?
P1_15 Pt01 O6_6 C14_6 -117.3 . . . . ?
C2_16 C1_16 P1_16 Pt05 61.7 . . . . ?
C2_16 C1_16 P1_16 C3_16 -169.8 . . . . ?
C2_16 C1_16 P1_16 C5_16 -65.0 . . . . ?
C4_16 C3_16 P1_16 Pt05 57.1 . . . . ?
C4_16 C3_16 P1_16 C1_16 -68.5 . . . . ?
C4_16 C3_16 P1_16 C5_16 -173.9 . . . . ?
C6_16 C5_16 P1_16 Pt05 -55.2 . . . . ?
C6_16 C5_16 P1_16 C1_16 69.7 . . . . ?
C6_16 C5_16 P1_16 C3_16 174.6 . . . . ?
C2_17 C1_17 P1_17 Pt05 174.6 . . . . ?
C2_17 C1_17 P1_17 C3_17 -60.2 . . . . ?
C2_17 C1_17 P1_17 C5_17 44.8 . . . . ?
C4_17 C3_17 P1_17 Pt05 59.9 . . . . ?
C4_17 C3_17 P1_17 C1_17 -65.0 . . . . ?
C4_17 C3_17 P1_17 C5_17 -170.0 . . . . ?
C6_17 C5_17 P1_17 Pt05 51.2 . . . . ?
C6_17 C5_17 P1_17 C1_17 178.3 . . . . ?
C6_17 C5_17 P1_17 C3_17 -76.7 . . . . ?
C2_18 C1_18 P1_18 Pt03 51.5 . . . . ?
C2_18 C1_18 P1_18 C3_18 -68.6 . . . . ?
C2_18 C1_18 P1_18 C5_18 -175.8 . . . . ?
C4_18 C3_18 P1_18 Pt03 -173.7 . . . . ?
C4_18 C3_18 P1_18 C1_18 -49.1 . . . . ?
C4_18 C3_18 P1_18 C5_18 57.7 . . . . ?
C6_18 C5_18 P1_18 Pt03 -54.0 . . . . ?
C6_18 C5_18 P1_18 C1_18 175.3 . . . . ?
C6_18 C5_18 P1_18 C3_18 68.1 . . . . ?
C2_19 C1_19 P1_19 Pt03 -173.3 . . . . ?
C2_19 C1_19 P1_19 C3_19 -53.2 . . . . ?
C2_19 C1_19 P1_19 C5_19 54.1 . . . . ?
C4_19 C3_19 P1_19 Pt03 50.2 . . . . ?
C4_19 C3_19 P1_19 C1_19 -68.8 . . . . ?
C4_19 C3_19 P1_19 C5_19 -175.5 . . . . ?
C6_19 C5_19 P1_19 Pt03 -53.8 . . . . ?
C6_19 C5_19 P1_19 C1_19 71.4 . . . . ?
C6_19 C5_19 P1_19 C3_19 178.2 . . . . ?
C2_20 C1_20 P1_20 Pt08 153.5 . . . . ?
C2_20 C1_20 P1_20 C3_20 -72.7 . . . . ?
C2_20 C1_20 P1_20 C5_20 33.6 . . . . ?
C4_20 C3_20 P1_20 Pt08 66.9 . . . . ?
C4_20 C3_20 P1_20 C1_20 -69.1 . . . . ?
C4_20 C3_20 P1_20 C5_20 -175.6 . . . . ?
C6_20 C5_20 P1_20 Pt08 -64.2 . . . . ?
C6_20 C5_20 P1_20 C1_20 65.1 . . . . ?
C6_20 C5_20 P1_20 C3_20 171.2 . . . . ?
C2_21 C1_21 P1_21 Pt08 -61.8 . . . . ?
C2_21 C1_21 P1_21 C3_21 70.5 . . . . ?
C2_21 C1_21 P1_21 C5_21 177.0 . . . . ?
C4_21 C3_21 P1_21 Pt08 -68.9 . . . . ?
C4_21 C3_21 P1_21 C1_21 165.8 . . . . ?
C4_21 C3_21 P1_21 C5_21 59.1 . . . . ?
C6_21 C5_21 P1_21 Pt08 -157.1 . . . . ?
C6_21 C5_21 P1_21 C1_21 -36.8 . . . . ?
C6_21 C5_21 P1_21 C3_21 69.0 . . . . ?
C2_22 C1_22 P1_22 Pt4 -45.1 . . . . ?
C2_22 C1_22 P1_22 Pt4A -61.1 . . . . ?
C2_22 C1_22 P1_22 C3_22 170.9 . . . . ?
C2_22 C1_22 P1_22 C5_22 63.5 . . . . ?
C4_22 C3_22 P1_22 Pt4 47.9 . . . . ?
C4_22 C3_22 P1_22 Pt4A 65.3 . . . . ?
C4_22 C3_22 P1_22 C1_22 -168.1 . . . . ?
C4_22 C3_22 P1_22 C5_22 -60.7 . . . . ?
C6_22 C5_22 P1_22 Pt4 178.4 . . . . ?
C6_22 C5_22 P1_22 Pt4A 177.0 . . . . ?
C6_22 C5_22 P1_22 C1_22 52.0 . . . . ?
C6_22 C5_22 P1_22 C3_22 -55.2 . . . . ?
P1_22 Pt4 O1_6 C1_6 93.7 . . . . ?
C2_23 C1_23 P1_23 Pt4 66.9 . . . . ?
C2_23 C1_23 P1_23 Pt4A 57.4 . . . . ?
C2_23 C1_23 P1_23 C3_23 -68.3 . . . . ?
C2_23 C1_23 P1_23 C5_23 -174.7 . . . . ?
C4_23 C3_23 P1_23 Pt4 178.3 . . . . ?
C4_23 C3_23 P1_23 Pt4A 179.6 . . . . ?
C4_23 C3_23 P1_23 C1_23 -45.1 . . . . ?
C4_23 C3_23 P1_23 C5_23 60.8 . . . . ?
C6_23 C5_23 P1_23 Pt4 -63.8 . . . . ?
C6_23 C5_23 P1_23 Pt4A -55.8 . . . . ?
C6_23 C5_23 P1_23 C1_23 167.8 . . . . ?
C6_23 C5_23 P1_23 C3_23 61.9 . . . . ?
P1_23 Pt4 O1_6 C1_6 -111.6 . . . . ?
C2_24 C1_24 P1_24 Pt06 -63.0 . . . . ?
C2_24 C1_24 P1_24 C3_24 173.0 . . . . ?
C2_24 C1_24 P1_24 C5_24 65.4 . . . . ?
C4_24 C3_24 P1_24 Pt06 45.7 . . . . ?
C4_24 C3_24 P1_24 C1_24 179.4 . . . . ?
C4_24 C3_24 P1_24 C5_24 -73.2 . . . . ?
C6_24 C5_24 P1_24 Pt06 179.6 . . . . ?
C6_24 C5_24 P1_24 C1_24 43.7 . . . . ?
C6_24 C5_24 P1_24 C3_24 -63.8 . . . . ?
C2_25 C1_25 P1_25 Pt06 66.1 . . . . ?
C2_25 C1_25 P1_25 C3_25 -165.8 . . . . ?
C2_25 C1_25 P1_25 C5_25 -58.9 . . . . ?
C4_25 C3_25 P1_25 Pt06 -56.5 . . . . ?
C4_25 C3_25 P1_25 C1_25 178.7 . . . . ?
C4_25 C3_25 P1_25 C5_25 72.0 . . . . ?
C6_25 C5_25 P1_25 Pt06 172.8 . . . . ?
C6_25 C5_25 P1_25 C1_25 -64.1 . . . . ?
C6_25 C5_25 P1_25 C3_25 42.7 . . . . ?
C2_26 C1_26 P1_26 Pt7 48.1 . . . . ?
C2_26 C1_26 P1_26 C3_26 -178.0 . . . . ?
C2_26 C1_26 P1_26 C5_26 -70.6 . . . . ?
C4_26 C3_26 P1_26 Pt7 -63.1 . . . . ?
C4_26 C3_26 P1_26 C1_26 167.0 . . . . ?
C4_26 C3_26 P1_26 C5_26 59.8 . . . . ?
C6_26 C5_26 P1_26 Pt7 -178.0 . . . . ?
C6_26 C5_26 P1_26 C1_26 -55.8 . . . . ?
C6_26 C5_26 P1_26 C3_26 51.4 . . . . ?
C2_27 C1_27 P1_27 Pt7 -58.4 . . . . ?
C2_27 C1_27 P1_27 C3_27 167.9 . . . . ?
C2_27 C1_27 P1_27 C5_27 60.9 . . . . ?
C4_27 C3_27 P1_27 Pt7 49.6 . . . . ?
C4_27 C3_27 P1_27 C1_27 -177.4 . . . . ?
C4_27 C3_27 P1_27 C5_27 -70.6 . . . . ?
C6_27 C5_27 P1_27 Pt7 -175.7 . . . . ?
C6_27 C5_27 P1_27 C1_27 58.5 . . . . ?
C6_27 C5_27 P1_27 C3_27 -48.5 . . . . ?
C2_28 C1_28 P1_28 Pt7A 67.8 . . . . ?
C2_28 C1_28 P1_28 C3_28 -177.9 . . . . ?
C2_28 C1_28 P1_28 C5_28 -72.5 . . . . ?
C4_28 C3_28 P1_28 Pt7A -84.8 . . . . ?
C4_28 C3_28 P1_28 C1_28 168.1 . . . . ?
C4_28 C3_28 P1_28 C5_28 62.8 . . . . ?
C6_28 C5_28 P1_28 Pt7A -119.3 . . . . ?
C6_28 C5_28 P1_28 C1_28 -0.3 . . . . ?
C6_28 C5_28 P1_28 C3_28 105.1 . . . . ?
C2_29 C1_29 P1_29 Pt7A -54.6 . . . . ?
C2_29 C1_29 P1_29 C3_29 180.0 . . . . ?
C2_29 C1_29 P1_29 C5_29 74.1 . . . . ?
C4_29 C3_29 P1_29 Pt7A -173.9 . . . . ?
C4_29 C3_29 P1_29 C1_29 -47.4 . . . . ?
C4_29 C3_29 P1_29 C5_29 59.2 . . . . ?
C6_29 C5_29 P1_29 Pt7A 59.3 . . . . ?
C6_29 C5_29 P1_29 C1_29 -69.5 . . . . ?
C6_29 C5_29 P1_29 C3_29 -174.9 . . . . ?
C1_7 C2_7 C3_7 C4_7 177.5 . . . . ?
C1_7 C2_7 N1_7 C6_7 -177.6 . . . . ?
C2_7 C1_7 O1_7 Pt05 167.1 . . . 2_656 ?
C2_7 C3_7 C4_7 C5_7 0.0 . . . . ?
C3_7 C2_7 N1_7 C6_7 0.0 . . . . ?
C3_7 C4_7 C5_7 C6_7 0.0 . . . . ?
C4_7 C5_7 C6_7 N1_7 0.0 . . . . ?
C4_7 C5_7 C6_7 C7_7 179.3 . . . . ?
C5_7 C6_7 N1_7 C2_7 0.0 . . . . ?
C5_7 C6_7 C7_7 O3_7 14.4 . . . . ?
C5_7 C6_7 C7_7 O4_7 -169.2 . . . . ?
C6_7 C7_7 O3_7 Pt03 167.6 . . . . ?
N1_7 C2_7 C3_7 C4_7 0.0 . . . . ?
N1_7 C6_7 C7_7 O3_7 -166.2 . . . . ?
N1_7 C6_7 C7_7 O4_7 10.1 . . . . ?
C7_7 C6_7 N1_7 C2_7 -179.4 . . . . ?
O1_7 C1_7 C2_7 C3_7 -7.4 . . . . ?
O1_7 C1_7 C2_7 N1_7 170.1 . . . . ?
O2_7 C1_7 C2_7 C3_7 167.0 . . . . ?
O2_7 C1_7 C2_7 N1_7 -15.4 . . . . ?
O2_7 C1_7 O1_7 Pt05 -5.8 . . . 2_656 ?
O4_7 C7_7 O3_7 Pt03 -8.5 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT971_lidz0470_zcs_xa_0m_sq 
;
PROBLEM: Check Calcd Resid. Dens.  1.45Ang From Pt05            3.84 eA-3  
RESPONSE: Due to serious truncation effects of heavy metal atoms.
;
_vrf_PLAT026_lidz0470_zcs_xa_0m_sq 
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        30% Check 
RESPONSE: This alert is due to poor crystallinity and weak diffraction of 
the crystal. We have tried several times to get a good crystal for better 
diffraction data but unable to get it.
;
_vrf_PLAT082_lidz0470_zcs_xa_0m_sq 
;
PROBLEM: High R1 Value ..................................       0.16 Report
RESPONSE: This alert is due to poor crystallinity and weak diffraction of 
the crystal. We have tried several times to get a good crystal for better 
diffraction data but unable to get it.
;
_vrf_PLAT084_lidz0470_zcs_xa_0m_sq 
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.41 Report
RESPONSE: This alert is due to poor crystallinity and weak diffraction of 
the crystal. We have tried several times to get a good crystal for better 
diffraction data but unable to get it.
;
_vrf_PLAT973_lidz0470_zcs_xa_0m_sq 
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt7       1.90 eA-3  
RESPONSE: Due to serious truncation effects of heavy metal atoms.
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_123_sq
_database_code_depnum_ccdc_archive 'CCDC 2182306'
loop_
_audit_author_name
_audit_author_address
'Ying Cheng'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2022-10-09 deposited with the CCDC.	2022-10-11 downloaded from the CCDC.
;
_audit_creation_date             2022-10-06
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'2(C77 H91 N6 O4 P4 Pt2), 13[C2H3N], 5[C6H14O], 0.5[], 1[], 0.5[]'
_chemical_formula_sum            'C210 H291 N25 O13 P8 Pt4'
_chemical_formula_weight         4401.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   53.469(13)
_cell_length_b                   26.692(6)
_cell_length_c                   37.842(10)
_cell_angle_alpha                90
_cell_angle_beta                 134.806(19)
_cell_angle_gamma                90
_cell_volume                     38319(18)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6776
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      41.42
_cell_measurement_theta_min      2.68
_shelx_estimated_absorpt_T_max   0.750
_shelx_estimated_absorpt_T_min   0.675
_exptl_absorpt_coefficient_mu    3.048
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1206 before and 0.0869 after correction.
The Ratio of minimum to maximum transmission is 0.7835.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             18096
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1181
_diffrn_reflns_av_unetI/netI     0.0740
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_h_min       -63
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            211404
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.901
_diffrn_reflns_theta_min         0.933
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16381
_reflns_number_total             33330
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.221
_refine_diff_density_min         -1.333
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1566
_refine_ls_number_reflns         33330
_refine_ls_number_restraints     3540
_refine_ls_R_factor_all          0.1494
_refine_ls_R_factor_gt           0.0973
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2944
_refine_ls_wR_factor_ref         0.3440
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H21C-H28A
 2.1 with sigma of 0.02
 H61-H9
 2.1 with sigma of 0.02
 HQ-H65
 2.1 with sigma of 0.02
 H13E-H33A
 2.1 with sigma of 0.02
 H66-HQ
 2.1 with sigma of 0.02
 H10B-H13F
 2.1 with sigma of 0.02
 H35D-H35A
 2.1 with sigma of 0.02
 H35C-H53_$1
 2.1 with sigma of 0.02
 C313-C261
 3.1 with sigma of 0.01
 C273-C343
 3.1 with sigma of 0.01
 C343-C273
 3.95 with sigma of 0.01
 C273-C270
 3.3 with sigma of 0.01
 C239-C217
 3.5 with sigma of 0.01
 C119_$1-C350
 3.5 with sigma of 0.01
 C350-C13
 3.3 with sigma of 0.01
 C135-C233
 3.3 with sigma of 0.01
 C280-C33
 3.8 with sigma of 0.01
 C33-C133
 1.53 with sigma of 0.01
 C33-C280
 3.9 with sigma of 0.01
 P26-C33
 2.7 with sigma of 0.01
 C297-C173 \\sim C250-C208 \\sim C80-C232 \\sim C166-C106 \\sim C192-C127 \\sim
C88-C114 \\sim C212-
 C143 \\sim C29-C125
 with sigma of 0.0008
 C212-C204 \\sim C322-C212 \\sim C192-C140 \\sim C192-C170 \\sim C152-C114
\\sim C68-C114 \\sim C29-
 C186 \\sim C79-C29 \\sim C266-C208 \\sim C230-C208 \\sim C302-C297 \\sim
C323-C297 \\sim C80-C150 ~
 C80-C78 \\sim C166-C122 \\sim C60-C166
 with sigma of 0.0008
 C83-C79 \\sim C83-C317 \\sim C317-C140 \\sim C74-C170 \\sim C74-C66 \\sim
C66-C152 \\sim C190-C186 ~
 C324-C190 \\sim C324-C322 \\sim C303-C204 \\sim C320-C303 \\sim C68-C320 \\sim
C230-C196 \\sim C316-
 C196 \\sim C316-C302 \\sim C323-C206 \\sim C244-C206 \\sim C244-C150 \\sim
C78-C160 \\sim C222-C160 ~
 C60-C222 \\sim C226-C122 \\sim C242-C226 \\sim C266-C242
 with sigma of 0.0008
 P24-C220 \\sim P24-C95 \\sim P24-C313 \\sim P12-C262 \\sim P12-C43 \\sim
P12-C337 \\sim P40-C13 \\sim P40-
 C177 \\sim P40-C357 \\sim P18-C193 \\sim P18-C135 \\sim P18-C340 \\sim
P26-C321 \\sim P26-C133 \\sim P26-
 C213 \\sim P38-C280 \\sim P38-C307 \\sim P38-C331 \\sim P8-C270 \\sim P8-C319
\\sim P8-C343 \\sim P14-C273
 \\sim P14-C284 \\sim P14-C169
 with sigma of 0.001
 C79-C65 \\sim C186-C119
 with sigma of 0.0008
 C65-C29 \\sim C29-C119
 with sigma of 0.0008
 C31-C284 \\sim C273-C239 \\sim C352-C169 \\sim C7-C343 \\sim C270-C217 \\sim
C319-C305 \\sim C331-
 C181 \\sim C307-C215 \\sim C280-C103 \\sim C33-C133 \\sim C45-C213 \\sim
C321-C109 \\sim C95-C261 ~
 C313-C223 \\sim C220-C111 \\sim C43-C346 \\sim C51-C337 \\sim C262-C167 \\sim
C340-C233 \\sim C73-C193
 \\sim C135-C113 \\sim C99-C357 \\sim C145-C13 \\sim C350-C177
 with sigma of 0.0008
 O52-C82 \\sim O50-C82 \\sim O132-C116 \\sim O20-C116 \\sim O32-C130 \\sim
O48-C130 \\sim O30-C144 ~
 O42-C144
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C273 \\sim C239: within 1.8A with sigma of 0.005 and sigma for terminal atoms
of 0.01
C340 \\sim C233: within 1.8A with sigma of 0.005 and sigma for terminal atoms
of 0.01
C133 \\sim C33: within 1.8A with sigma of 0.005 and sigma for terminal atoms of
0.01
All non-hydrogen atoms have similar U: within -2.7A with sigma of 0.009 and
sigma for terminal atoms of 0.018
Uanis(C33) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
4.a Riding coordinates:
 C305(H14,H15,H16), C7(H17,H18,H19), C352(H24,H25,H26), C109(H10A,H10B,H10C),
 C103(H10D,H10E,H10F), C111(H30,H31,H32), C223(H33,H34,H35), C350(H35C,H35D,
 H35E), C73(H73A,H73B,H73C), C145(H14A,H14B,H14C), C261(H58,H59,H60), C33(H33C,
 H33D,H33E), C233(H23A,H23B,H23C)
4.b Secondary CH2 refined with riding coordinates:
 C262(HN,HO), C270(HP,HQ), C280(H28A,H28B), C284(HR,HS), C220(HT,HU),
 C307(H30A,H30B), C321(H32A,H32B), C319(HV,HW), C313(HX,HY), C357(H35A,H35B),
 C337(HZ,H1), C43(H4,H5), C169(H7,H8), C343(H9,H10), C331(H33A,H33B), C177(H17A,
 H17B), C213(H21D,H21E), C340(H34A,H34B), C95(H39,H40), C193(H19A,H19B),
 C13(H13A,H13B), C135(H13C,H13D), C133(H13E,H13F), C273(H61,H63)
4.c Aromatic/amide H refined with riding coordinates:
 C164(H), C118(HA), C126(HB), C70(HC), C96(H96), C142(H142), C158(H158),
 C138(H138), C124(HD), C4(HE), C134(HF), C92(H92), C62(H62), C146(H146),
 C160(H160), C66(HG), C74(HH), C190(HI), C324(HJ), C320(HK), C294(H294),
 C228(H228), C240(H240), C224(H224), C198(HL), C222(H222), C226(H226),
 C242(H242), C244(H244), C296(HM), C252(H252), C194(H194), C274(H274),
 C254(H254), C306(H306), C196(H196), C268(H268), C308(H308), C316(H316),
 C206(H206), C157(H157), C21(H21), C335(H335), C301(H301), C77(H77), C303(H2),
 C83(H3), C317(H6), C289(H44), C263(H45), C2(H46), C139(H47), C137(H48),
 C277(H49), C267(H50), C253(H51), C363(H52), C119(H53), C257(H54), C141(H55),
 C115(H56), C65(H57)
4.d Fitted hexagon refined as free rotating group:
 N22(C164,C118,C88,C126,C70), N28(C96,C142,C106,C158,C138), C10(C124,C100,C4,
 C120,C134), C92(C108,C62,C176,C146,C136), C232(C294,C228,N314,C240,C224),
 C250(C252,C194,C274,C254,C306), C173(C157,C21,C335,C301,C77), C143(C289,C263,
 C2,C139,C137), C127(C277,C267,N129,C253,C363), C125(C119,C257,C141,C115,C65)
4.e Idealised Me refined as rotating group:
 C167(H11,H12,H13), C45(H45A,H45B,H45C), C181(H18A,H18B,H18C), C215(H21A,H21B,
 H21C), C217(H20,H22,H23), C51(H27,H28,H29), C346(H36,H37,H38), C99(H99A,H99B,
 H99C), C113(H11A,H11B,H11C), C31(H41,H42,H43), C239(H64,H65,H66)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Pt16 Pt 0.31809(2) 0.58470(2) 0.26009(2) 0.1028(2) Uani 1 1 d . U . . .
Pt44 Pt 0.19196(2) 0.33462(2) 0.12379(2) 0.1023(2) Uani 1 1 d . U . . .
Pt36 Pt 0.43191(2) 0.22008(2) 0.44517(3) 0.1268(3) Uani 1 1 d . U . . .
Pt46 Pt 0.26329(2) -0.02997(2) 0.08139(3) 0.1275(3) Uani 1 1 d . U . . .
P38 P 0.18752(10) 0.40894(15) 0.14555(17) 0.1211(12) Uani 1 1 d D U . . .
P26 P 0.13437(10) 0.31345(17) 0.06804(16) 0.1239(13) Uani 1 1 d D U . . .
P8 P 0.29197(12) 0.65868(15) 0.22931(15) 0.1249(13) Uani 1 1 d D U . . .
P14 P 0.31642(12) 0.56362(18) 0.20061(15) 0.1287(13) Uani 1 1 d D U . . .
P12 P 0.43490(13) 0.18934(18) 0.39277(18) 0.1416(15) Uani 1 1 d D U . . .
P40 P 0.20787(14) -0.06085(18) 0.0232(2) 0.1428(14) Uani 1 1 d D U . . .
P24 P 0.44165(14) 0.14853(19) 0.4838(2) 0.1521(17) Uani 1 1 d D U . . .
P18 P 0.29250(14) -0.10109(19) 0.1008(2) 0.1552(17) Uani 1 1 d D U . . .
O20 O 0.1993(2) 0.2731(3) 0.0997(3) 0.0985(19) Uani 1 1 d D U . . .
O48 O 0.3503(2) 0.5225(3) 0.2993(3) 0.102(2) Uani 1 1 d D U . . .
O42 O 0.4263(2) 0.2906(3) 0.4180(4) 0.122(3) Uani 1 1 d D U . . .
N22 N 0.3285(2) 0.5935(3) 0.3244(2) 0.104(2) Uani 1 1 d . U . . .
C164 C 0.30588(17) 0.5717(3) 0.3264(2) 0.100(3) Uani 1 1 d G U . . .
H H 0.2823 0.5640 0.2964 0.120 Uiso 1 1 calc R . . . .
C118 C 0.3177(2) 0.5614(3) 0.3721(3) 0.103(3) Uani 1 1 d G U . . .
HA H 0.3023 0.5465 0.3735 0.123 Uiso 1 1 calc R . . . .
C88 C 0.3522(2) 0.5727(3) 0.4160(2) 0.105(2) Uani 1 1 d DG U . . .
C126 C 0.37483(18) 0.5945(4) 0.4140(2) 0.111(3) Uani 1 1 d G U . . .
HB H 0.3984 0.6023 0.4440 0.133 Uiso 1 1 calc R . . . .
C70 C 0.36299(19) 0.6049(3) 0.3683(3) 0.111(3) Uani 1 1 d G U . . .
HC H 0.3785 0.6198 0.3670 0.134 Uiso 1 1 calc R . . . .
O50 O 0.2418(3) 0.0415(3) 0.0651(4) 0.113(2) Uani 1 1 d D U . . .
N28 N 0.24602(13) 0.3435(3) 0.1681(3) 0.094(2) Uani 1 1 d . U . . .
C96 C 0.27033(19) 0.3213(3) 0.2149(3) 0.099(3) Uani 1 1 d G U . . .
H96 H 0.2638 0.3131 0.2319 0.119 Uiso 1 1 calc R . . . .
C142 C 0.30425(17) 0.3110(3) 0.2368(2) 0.102(3) Uani 1 1 d G U . . .
H142 H 0.3209 0.2958 0.2688 0.122 Uiso 1 1 calc R . . . .
C106 C 0.31386(15) 0.3230(3) 0.2119(3) 0.106(3) Uani 1 1 d DG U . . .
C158 C 0.2895(2) 0.3452(3) 0.1652(3) 0.100(3) Uani 1 1 d G U . . .
H158 H 0.2961 0.3533 0.1482 0.120 Uiso 1 1 calc R . . . .
C138 C 0.25563(17) 0.3555(3) 0.1433(2) 0.110(3) Uani 1 1 d G U . . .
H138 H 0.2390 0.3706 0.1113 0.132 Uiso 1 1 calc R . . . .
O30 O 0.3686(2) 0.2964(3) 0.3634(4) 0.132(3) Uani 1 1 d D U . . .
O52 O 0.2455(3) 0.0472(3) 0.1270(4) 0.124(3) Uani 1 1 d D U . . .
O32 O 0.3120(2) 0.4641(4) 0.2788(4) 0.134(4) Uani 1 1 d D U . . .
N34 N 0.4103(3) 0.3150(5) 0.2791(5) 0.119(3) Uani 1 1 d . U . . .
C10 C 0.4008(2) 0.3701(2) 0.3861(3) 0.103(3) Uani 1 1 d . U . . .
C124 C 0.37113(16) 0.3977(3) 0.3474(3) 0.100(3) Uani 1 1 d G U . . .
HD H 0.3491 0.3814 0.3225 0.120 Uiso 1 1 calc R . . . .
C100 C 0.37371(17) 0.4492(3) 0.3452(3) 0.097(3) Uani 1 1 d G U . . .
C4 C 0.4060(2) 0.4731(2) 0.3816(3) 0.100(3) Uani 1 1 d G U . . .
HE H 0.4078 0.5083 0.3801 0.120 Uiso 1 1 calc R . . . .
C120 C 0.43568(16) 0.4455(3) 0.4203(3) 0.102(3) Uani 1 1 d G U . . .
C134 C 0.43310(17) 0.3940(3) 0.4225(3) 0.107(3) Uani 1 1 d G U . . .
HF H 0.4534 0.3751 0.4490 0.128 Uiso 1 1 calc R . . . .
N1 N 0.4359(3) 0.1775(6) 0.2649(5) 0.137(3) Uani 1 1 d . U . . .
O132 O 0.2165(3) 0.2159(3) 0.1544(4) 0.115(2) Uani 1 1 d D U . . .
N178 N 0.3910(3) 0.4732(5) 0.5141(5) 0.121(3) Uani 1 1 d . U . . .
N180 N 0.3820(3) 0.5675(5) 0.5422(5) 0.121(2) Uani 1 1 d . U . . .
C144 C 0.3983(2) 0.3152(5) 0.3891(5) 0.113(3) Uani 1 1 d D U . . .
C92 C 0.2260(3) 0.2234(2) 0.0705(3) 0.101(3) Uani 1 1 d . U . . .
H92 H 0.2229 0.2586 0.0657 0.122 Uiso 1 1 calc R . . . .
C108 C 0.2219(2) 0.1994(3) 0.0987(3) 0.096(2) Uani 1 1 d G U . . .
C62 C 0.2265(3) 0.1479(3) 0.1057(3) 0.100(2) Uani 1 1 d G U . . .
H62 H 0.2237 0.1315 0.1250 0.120 Uiso 1 1 calc R . . . .
C176 C 0.2352(3) 0.1203(2) 0.0845(4) 0.105(3) Uani 1 1 d G U . . .
C146 C 0.2393(3) 0.1442(3) 0.0562(3) 0.103(3) Uani 1 1 d G U . . .
H146 H 0.2452 0.1254 0.0417 0.124 Uiso 1 1 calc R . . . .
C136 C 0.2347(3) 0.1958(3) 0.0492(3) 0.100(2) Uani 1 1 d G U . . .
C130 C 0.3423(3) 0.4805(4) 0.3036(5) 0.099(3) Uani 1 1 d D U . . .
C114 C 0.3672(3) 0.5514(3) 0.4655(3) 0.114(3) Uani 1 1 d D U . . .
C166 C 0.34823(18) 0.3018(3) 0.2308(4) 0.109(3) Uani 1 1 d D U . . .
C122 C 0.3780(2) 0.3321(4) 0.2582(5) 0.112(3) Uani 1 1 d D U . . .
C116 C 0.2116(3) 0.2307(4) 0.1188(4) 0.098(3) Uani 1 1 d D U . . .
C170 C 0.3995(3) 0.4266(4) 0.5086(3) 0.123(3) Uani 1 1 d D U . . .
N110 N 0.3730(3) 0.2232(5) 0.2315(5) 0.116(3) Uani 1 1 d . U . . .
N112 N 0.4196(4) 0.4274(6) 0.6053(5) 0.143(3) Uani 1 1 d . U . . .
C68 C 0.3712(3) 0.5823(4) 0.4988(4) 0.115(3) Uani 1 1 d D U . . .
C182 C 0.4680(4) 0.4743(5) 0.4616(5) 0.110(3) Uani 1 1 d . U . . .
C152 C 0.3770(3) 0.5012(3) 0.4734(4) 0.114(3) Uani 1 1 d D U . . .
C140 C 0.4242(4) 0.3848(5) 0.5871(3) 0.138(3) Uani 1 1 d D U . . .
C150 C 0.4132(2) 0.1366(5) 0.2385(5) 0.137(3) Uani 1 1 d D U . . .
N154 N 0.4749(3) 0.2690(6) 0.3153(5) 0.144(3) Uani 1 1 d . U . . .
C160 C 0.3234(2) 0.1749(4) 0.1833(5) 0.122(3) Uani 1 1 d D U . . .
H160 H 0.3077 0.1475 0.1646 0.146 Uiso 1 1 calc R . . . .
C60 C 0.3461(3) 0.2520(3) 0.2180(5) 0.112(3) Uani 1 1 d D U . . .
C72 C 0.2422(4) 0.2243(5) 0.0235(6) 0.106(3) Uani 1 1 d . U . . .
C66 C 0.3758(3) 0.4717(4) 0.4416(4) 0.116(3) Uani 1 1 d D U . . .
HG H 0.3665 0.4818 0.4102 0.139 Uiso 1 1 calc R . . . .
C74 C 0.3903(3) 0.4246(4) 0.4636(3) 0.123(3) Uani 1 1 d D U . . .
HH H 0.3933 0.3973 0.4508 0.147 Uiso 1 1 calc R . . . .
C78 C 0.3593(2) 0.1769(4) 0.2105(5) 0.127(3) Uani 1 1 d D U . . .
C82 C 0.2407(4) 0.0657(5) 0.0923(5) 0.111(3) Uani 1 1 d D U . . .
C80 C 0.3780(2) 0.1377(3) 0.2135(5) 0.129(3) Uani 1 1 d D U . . .
N188 N 0.4089(4) 0.5186(7) 0.6342(6) 0.151(3) Uani 1 1 d . U . . .
C186 C 0.4210(3) 0.4888(3) 0.6737(4) 0.155(3) Uani 1 1 d D U . . .
C190 C 0.4170(3) 0.5132(4) 0.7023(4) 0.151(4) Uani 1 1 d D U . . .
HI H 0.4226 0.5009 0.7307 0.182 Uiso 1 1 calc R . . . .
C324 C 0.4031(3) 0.5600(5) 0.6793(4) 0.147(3) Uani 1 1 d D U . . .
HJ H 0.3977 0.5862 0.6901 0.177 Uiso 1 1 calc R . . . .
C322 C 0.3982(4) 0.5623(5) 0.6378(3) 0.156(4) Uani 1 1 d D U . . .
C320 C 0.3604(3) 0.6324(4) 0.4900(4) 0.123(3) Uani 1 1 d D U . . .
HK H 0.3513 0.6526 0.4624 0.148 Uiso 1 1 calc R . . . .
C208 C 0.46912(19) 0.3514(4) 0.3327(5) 0.149(3) Uani 1 1 d D U . . .
C232 C 0.3575(2) 0.0885(3) 0.1887(4) 0.132(3) Uani 1 1 d D U . . .
C294 C 0.3478(3) 0.0596(4) 0.2080(3) 0.135(4) Uani 1 1 d G U . . .
H294 H 0.3575 0.0664 0.2403 0.162 Uiso 1 1 calc R . . . .
C228 C 0.3238(3) 0.0206(4) 0.1800(4) 0.129(3) Uani 1 1 d G U . . .
H228 H 0.3172 0.0008 0.1931 0.154 Uiso 1 1 calc R . . . .
N314 N 0.3096(2) 0.0106(3) 0.1327(4) 0.131(3) Uani 1 1 d G U . . .
C240 C 0.3193(3) 0.0396(4) 0.1134(3) 0.136(4) Uani 1 1 d G U . . .
H240 H 0.3095 0.0327 0.0811 0.164 Uiso 1 1 calc R . . . .
C224 C 0.3432(3) 0.0785(4) 0.1414(4) 0.137(4) Uani 1 1 d G U . . .
H224 H 0.3498 0.0983 0.1282 0.164 Uiso 1 1 calc R . . . .
C198 C 0.4762(4) 0.5193(6) 0.4548(6) 0.130(4) Uani 1 1 d . U . . .
HL H 0.4584 0.5350 0.4233 0.156 Uiso 1 1 calc R . . . .
C222 C 0.3158(3) 0.2222(4) 0.1898(5) 0.122(3) Uani 1 1 d D U . . .
H222 H 0.2937 0.2324 0.1771 0.146 Uiso 1 1 calc R . . . .
C226 C 0.3795(2) 0.3829(4) 0.2689(5) 0.121(3) Uani 1 1 d D U . . .
H226 H 0.3607 0.4034 0.2581 0.145 Uiso 1 1 calc R . . . .
C266 C 0.4334(2) 0.3555(5) 0.3048(5) 0.128(3) Uani 1 1 d D U . . .
C192 C 0.4146(3) 0.3868(3) 0.5420(3) 0.132(3) Uani 1 1 d D U . . .
C230 C 0.4886(2) 0.3119(5) 0.3382(6) 0.147(4) Uani 1 1 d D U . . .
C242 C 0.4147(2) 0.3972(4) 0.2987(5) 0.135(4) Uani 1 1 d D U . . .
H242 H 0.4242 0.4296 0.3123 0.162 Uiso 1 1 calc R . . . .
C244 C 0.4318(2) 0.0954(5) 0.2436(6) 0.147(4) Uani 1 1 d D U . . .
H244 H 0.4223 0.0632 0.2293 0.177 Uiso 1 1 calc R . . . .
C296 C 0.4938(4) 0.4572(6) 0.5122(5) 0.127(4) Uani 1 1 d . U . . .
HM H 0.4890 0.4288 0.5218 0.153 Uiso 1 1 calc R . . . .
C250 C 0.4926(3) 0.3938(4) 0.3701(5) 0.166(4) Uani 1 1 d D U . . .
C252 C 0.5021(4) 0.4315(6) 0.3562(4) 0.192(5) Uani 1 1 d G U . . .
H252 H 0.4947 0.4299 0.3249 0.230 Uiso 1 1 calc R . . . .
C194 C 0.5224(4) 0.4716(5) 0.3880(6) 0.201(6) Uani 1 1 d G U . . .
H194 H 0.5289 0.4974 0.3785 0.242 Uiso 1 1 calc R . . . .
C274 C 0.5332(3) 0.4740(4) 0.4338(5) 0.199(6) Uani 1 1 d G U . . .
H274 H 0.5470 0.5014 0.4556 0.239 Uiso 1 1 calc R . . . .
C254 C 0.5236(4) 0.4362(6) 0.4478(4) 0.195(6) Uani 1 1 d G U . . .
H254 H 0.5310 0.4378 0.4791 0.234 Uiso 1 1 calc R . . . .
C306 C 0.5033(3) 0.3961(5) 0.4159(5) 0.175(5) Uani 1 1 d G U . . .
H306 H 0.4968 0.3703 0.4255 0.210 Uiso 1 1 calc R . . . .
C196 C 0.5254(2) 0.3124(5) 0.3712(6) 0.153(4) Uani 1 1 d D U . . .
H196 H 0.5407 0.3399 0.3907 0.184 Uiso 1 1 calc R . . . .
C262 C 0.4565(3) 0.2323(6) 0.3854(5) 0.164(6) Uani 1 1 d D U . . .
HN H 0.4551 0.2191 0.3596 0.196 Uiso 1 1 calc R . . . .
HO H 0.4435 0.2645 0.3730 0.196 Uiso 1 1 calc R . . . .
C268 C 0.2261(4) 0.2672(6) -0.0006(6) 0.119(3) Uani 1 1 d . U . . .
H268 H 0.2099 0.2802 0.0001 0.143 Uiso 1 1 calc R . . . .
C302 C 0.5026(3) 0.2404(4) 0.3319(6) 0.153(4) Uani 1 1 d D U . . .
C270 C 0.24588(17) 0.6592(5) 0.1740(4) 0.171(7) Uani 1 1 d D U . . .
HP H 0.2363 0.6932 0.1684 0.206 Uiso 1 1 calc R . . . .
HQ H 0.2419 0.6502 0.1450 0.206 Uiso 1 1 calc DR . . . .
C280 C 0.1779(3) 0.4072(5) 0.1821(3) 0.156(5) Uani 1 1 d D U . . .
H28A H 0.1773 0.4415 0.1915 0.188 Uiso 1 1 calc DR . . . .
H28B H 0.1548 0.3909 0.1635 0.188 Uiso 1 1 calc R . . . .
C284 C 0.3147(4) 0.4969(2) 0.1963(4) 0.155(5) Uani 1 1 d D U . . .
HR H 0.3353 0.4827 0.2294 0.186 Uiso 1 1 calc R . . . .
HS H 0.2931 0.4850 0.1870 0.186 Uiso 1 1 calc R . . . .
C308 C 0.2309(4) 0.2942(6) -0.0264(6) 0.125(4) Uani 1 1 d . U . . .
H308 H 0.2174 0.3232 -0.0450 0.150 Uiso 1 1 calc R . . . .
C316 C 0.5351(3) 0.2643(5) 0.3697(6) 0.154(4) Uani 1 1 d D U . . .
H316 H 0.5581 0.2510 0.3895 0.185 Uiso 1 1 calc R . . . .
C204 C 0.3779(3) 0.6038(5) 0.5607(3) 0.129(3) Uani 1 1 d D U . . .
C206 C 0.4670(3) 0.1098(4) 0.2733(6) 0.160(4) Uani 1 1 d D U . . .
H206 H 0.4853 0.0888 0.2831 0.192 Uiso 1 1 calc R . . . .
C212 C 0.3865(3) 0.6016(4) 0.6050(3) 0.152(3) Uani 1 1 d D U . . .
C220 C 0.4840(2) 0.1201(5) 0.5210(7) 0.185(7) Uani 1 1 d D U . . .
HT H 0.4878 0.0978 0.5454 0.222 Uiso 1 1 calc R . . . .
HU H 0.4833 0.0987 0.4991 0.222 Uiso 1 1 calc R . . . .
C173 C 0.5317(2) 0.1598(6) 0.3384(5) 0.179(4) Uani 1 1 d D U . . .
C157 C 0.5429(3) 0.1176(6) 0.3679(6) 0.194(5) Uani 1 1 d G U . . .
H157 H 0.5291 0.1047 0.3728 0.233 Uiso 1 1 calc R . . . .
C21 C 0.5744(4) 0.0943(5) 0.3900(5) 0.196(6) Uani 1 1 d G U . . .
H21 H 0.5821 0.0655 0.4102 0.235 Uiso 1 1 calc R . . . .
C335 C 0.5947(3) 0.1133(6) 0.3828(6) 0.203(6) Uani 1 1 d G U . . .
H335 H 0.6162 0.0974 0.3979 0.244 Uiso 1 1 calc R . . . .
C301 C 0.5835(3) 0.1555(6) 0.3533(6) 0.196(6) Uani 1 1 d G U . . .
H301 H 0.5974 0.1685 0.3483 0.235 Uiso 1 1 calc R . . . .
C77 C 0.5520(4) 0.1788(5) 0.3311(5) 0.189(5) Uani 1 1 d G U . . .
H77 H 0.5444 0.2076 0.3109 0.227 Uiso 1 1 calc R . . . .
C323 C 0.4704(3) 0.1603(4) 0.2861(6) 0.156(4) Uani 1 1 d D U . . .
C79 C 0.4303(4) 0.4085(4) 0.6506(4) 0.157(4) Uani 1 1 d D U . . .
C307 C 0.2272(2) 0.4442(4) 0.1802(6) 0.143(5) Uani 1 1 d D U . . .
H30A H 0.2469 0.4250 0.2103 0.171 Uiso 1 1 calc R . . . .
H30B H 0.2322 0.4485 0.1596 0.171 Uiso 1 1 calc R . . . .
C321 C 0.1278(3) 0.2476(2) 0.0666(7) 0.171(6) Uani 1 1 d D U . . .
H32A H 0.1397 0.2294 0.0589 0.205 Uiso 1 1 calc R . . . .
H32B H 0.1381 0.2362 0.0994 0.205 Uiso 1 1 calc R . . . .
C319 C 0.2969(4) 0.6953(4) 0.2733(4) 0.136(4) Uani 1 1 d D U . . .
HV H 0.2850 0.6774 0.2810 0.163 Uiso 1 1 calc R . . . .
HW H 0.3223 0.6968 0.3045 0.163 Uiso 1 1 calc R . . . .
C313 C 0.4073(2) 0.1033(4) 0.4450(5) 0.193(7) Uani 1 1 d D U . . .
HX H 0.4057 0.0946 0.4180 0.231 Uiso 1 1 calc R . . . .
HY H 0.4149 0.0726 0.4651 0.231 Uiso 1 1 calc R . . . .
C297 C 0.5002(2) 0.1898(4) 0.3211(6) 0.163(4) Uani 1 1 d D U . . .
C357 C 0.1772(3) -0.0177(4) -0.0262(4) 0.174(5) Uani 1 1 d D U . . .
H35A H 0.1530 -0.0311 -0.0477 0.209 Uiso 1 1 calc DR . . . .
H35B H 0.1785 0.0145 -0.0120 0.209 Uiso 1 1 calc R . . . .
C337 C 0.3931(3) 0.1874(7) 0.3295(3) 0.189(7) Uani 1 1 d D U . . .
HZ H 0.3821 0.2209 0.3207 0.227 Uiso 1 1 calc R . . . .
H1 H 0.3973 0.1812 0.3082 0.227 Uiso 1 1 calc R . . . .
C303 C 0.3658(3) 0.6464(4) 0.5307(3) 0.138(4) Uani 1 1 d D U . . .
H2 H 0.3620 0.6786 0.5367 0.165 Uiso 1 1 calc R . . . .
C83 C 0.4416(4) 0.3587(4) 0.6590(4) 0.159(4) Uani 1 1 d D U . . .
H3 H 0.4500 0.3383 0.6860 0.191 Uiso 1 1 calc R . . . .
C43 C 0.4558(3) 0.1316(4) 0.4025(4) 0.168(6) Uani 1 1 d D U . . .
H4 H 0.4812 0.1343 0.4338 0.201 Uiso 1 1 calc R . . . .
H5 H 0.4457 0.1048 0.4074 0.201 Uiso 1 1 calc R . . . .
C317 C 0.4384(4) 0.3446(5) 0.6203(4) 0.153(4) Uani 1 1 d D U . . .
H6 H 0.4447 0.3129 0.6170 0.183 Uiso 1 1 calc R . . . .
C169 C 0.3559(2) 0.5876(7) 0.2206(6) 0.167(5) Uani 1 1 d D U . . .
H7 H 0.3547 0.5833 0.1935 0.201 Uiso 1 1 calc R . . . .
H8 H 0.3575 0.6240 0.2272 0.201 Uiso 1 1 calc R . . . .
C343 C 0.3072(3) 0.6958(5) 0.2084(4) 0.156(5) Uani 1 1 d D U . . .
H9 H 0.3054 0.6759 0.1845 0.187 Uiso 1 1 calc DR . . . .
H10 H 0.2917 0.7254 0.1904 0.187 Uiso 1 1 calc R . . . .
C331 C 0.1511(2) 0.4466(5) 0.0957(4) 0.164(6) Uani 1 1 d D U . . .
H33A H 0.1290 0.4272 0.0762 0.197 Uiso 1 1 calc DR . . . .
H33B H 0.1494 0.4765 0.1094 0.197 Uiso 1 1 calc R . . . .
C167 C 0.4952(4) 0.2428(10) 0.4326(8) 0.228(11) Uani 1 1 d D U . . .
H11 H 0.5068 0.2576 0.4234 0.343 Uiso 1 1 calc GR . . . .
H12 H 0.5070 0.2113 0.4505 0.343 Uiso 1 1 calc GR . . . .
H13 H 0.4967 0.2661 0.4540 0.343 Uiso 1 1 calc GR . . . .
C177 C 0.1980(3) -0.1191(4) -0.0076(6) 0.175(6) Uani 1 1 d D U . . .
H17A H 0.2088 -0.1187 -0.0207 0.210 Uiso 1 1 calc R . . . .
H17B H 0.2097 -0.1461 0.0176 0.210 Uiso 1 1 calc R . . . .
C305 C 0.2828(6) 0.7490(4) 0.2585(7) 0.178(7) Uani 1 1 d D U . . .
H14 H 0.2590 0.7495 0.2247 0.267 Uiso 1 1 d R . . . .
H15 H 0.2986 0.7694 0.2596 0.267 Uiso 1 1 d R . . . .
H16 H 0.2821 0.7627 0.2818 0.267 Uiso 1 1 d R . . . .
C45 C 0.1291(3) 0.3087(8) -0.0090(5) 0.183(8) Uani 1 1 d D U . . .
H45A H 0.1140 0.3147 -0.0446 0.275 Uiso 1 1 calc GR . . . .
H45B H 0.1310 0.2726 -0.0029 0.275 Uiso 1 1 calc GR . . . .
H45C H 0.1525 0.3227 0.0100 0.275 Uiso 1 1 calc GR . . . .
C181 C 0.1555(3) 0.4630(9) 0.0617(4) 0.211(10) Uani 1 1 d D U . . .
H18A H 0.1360 0.4850 0.0355 0.317 Uiso 1 1 calc GR . . . .
H18B H 0.1556 0.4334 0.0464 0.317 Uiso 1 1 calc GR . . . .
H18C H 0.1779 0.4811 0.0813 0.317 Uiso 1 1 calc GR . . . .
C215 C 0.2256(4) 0.4958(4) 0.1960(7) 0.182(8) Uani 1 1 d D U . . .
H21A H 0.2115 0.5185 0.1673 0.274 Uiso 1 1 calc GR . . . .
H21B H 0.2495 0.5092 0.2224 0.274 Uiso 1 1 calc GR . . . .
H21C H 0.2146 0.4928 0.2084 0.274 Uiso 1 1 calc DGR . . . .
C7 C 0.3453(3) 0.7138(8) 0.2505(6) 0.185(7) Uani 1 1 d D U . . .
H17 H 0.3611 0.6854 0.2618 0.278 Uiso 1 1 d R . . . .
H18 H 0.3486 0.7257 0.2780 0.278 Uiso 1 1 d R . . . .
H19 H 0.3507 0.7409 0.2393 0.278 Uiso 1 1 d R . . . .
C217 C 0.2270(4) 0.6217(7) 0.1791(6) 0.218(10) Uani 1 1 d D U . . .
H20 H 0.2168 0.6393 0.1893 0.327 Uiso 1 1 calc GR . . . .
H22 H 0.2438 0.5965 0.2042 0.327 Uiso 1 1 calc GR . . . .
H23 H 0.2081 0.6051 0.1470 0.327 Uiso 1 1 calc GR . . . .
C352 C 0.3889(4) 0.5616(8) 0.2675(6) 0.183(7) Uani 1 1 d D U . . .
H24 H 0.3866 0.5252 0.2624 0.275 Uiso 1 1 d R . . . .
H25 H 0.3912 0.5698 0.2950 0.275 Uiso 1 1 d R . . . .
H26 H 0.4098 0.5732 0.2756 0.275 Uiso 1 1 d R . . . .
C213 C 0.1128(3) 0.3340(6) 0.0072(3) 0.181(7) Uani 1 1 d D U . . .
H21D H 0.0874 0.3257 -0.0167 0.218 Uiso 1 1 calc R . . . .
H21E H 0.1151 0.3708 0.0073 0.218 Uiso 1 1 calc R . . . .
C51 C 0.3668(4) 0.1484(7) 0.3166(8) 0.226(11) Uani 1 1 d D U . . .
H27 H 0.3565 0.1305 0.2863 0.339 Uiso 1 1 calc GR . . . .
H28 H 0.3480 0.1651 0.3112 0.339 Uiso 1 1 calc GR . . . .
H29 H 0.3789 0.1245 0.3442 0.339 Uiso 1 1 calc GR . . . .
C109 C 0.0883(3) 0.2368(6) 0.0265(8) 0.212(10) Uani 1 1 d D U . . .
H10A H 0.0760 0.2595 -0.0020 0.318 Uiso 1 1 d R . . . .
H10B H 0.0781 0.2401 0.0401 0.318 Uiso 1 1 d DR . . . .
H10C H 0.0857 0.2022 0.0157 0.318 Uiso 1 1 d R . . . .
C103 C 0.2078(5) 0.3766(7) 0.2283(6) 0.207(9) Uani 1 1 d D U . . .
H10D H 0.1913 0.3491 0.2163 0.310 Uiso 1 1 d R . . . .
H10E H 0.2159 0.3904 0.2589 0.310 Uiso 1 1 d R . . . .
H10F H 0.2281 0.3641 0.2351 0.310 Uiso 1 1 d R . . . .
C111 C 0.5158(4) 0.1550(6) 0.5497(9) 0.251(14) Uani 1 1 d D U . . .
H30 H 0.5219 0.1579 0.5306 0.376 Uiso 1 1 d R . . . .
H31 H 0.5358 0.1405 0.5825 0.376 Uiso 1 1 d R . . . .
H32 H 0.5104 0.1882 0.5539 0.376 Uiso 1 1 d R . . . .
C223 C 0.3701(3) 0.1160(8) 0.4207(8) 0.209(9) Uani 1 1 d D U . . .
H33 H 0.3536 0.0996 0.3881 0.314 Uiso 1 1 d R . . . .
H34 H 0.3662 0.1523 0.4164 0.314 Uiso 1 1 d R . . . .
H35 H 0.3664 0.1035 0.4411 0.314 Uiso 1 1 d R . . . .
C340 C 0.33890(17) -0.0902(7) 0.1482(7) 0.233(9) Uani 1 1 d D U . . .
H34A H 0.3431 -0.0574 0.1409 0.280 Uiso 1 1 calc R . . . .
H34B H 0.3455 -0.0864 0.1799 0.280 Uiso 1 1 calc R . . . .
C346 C 0.4528(4) 0.1154(9) 0.3608(4) 0.194(8) Uani 1 1 d D U . . .
H36 H 0.4314 0.0953 0.3364 0.291 Uiso 1 1 calc GR . . . .
H37 H 0.4734 0.0954 0.3749 0.291 Uiso 1 1 calc GR . . . .
H38 H 0.4515 0.1452 0.3445 0.291 Uiso 1 1 calc GR . . . .
C350 C 0.1591(3) -0.1329(6) -0.0505(4) 0.256(13) Uani 1 1 d D U . . .
H35C H 0.1479 -0.1299 -0.0848 0.385 Uiso 1 1 d DR . . . .
H35D H 0.1484 -0.1087 -0.0448 0.385 Uiso 1 1 d DR . . . .
H35E H 0.1557 -0.1669 -0.0448 0.385 Uiso 1 1 d R . . . .
C95 C 0.4356(3) 0.1538(6) 0.5243(4) 0.219(8) Uani 1 1 d D U . . .
H39 H 0.4545 0.1763 0.5517 0.263 Uiso 1 1 calc R . . . .
H40 H 0.4131 0.1722 0.5054 0.263 Uiso 1 1 calc R . . . .
C193 C 0.2879(4) -0.1488(5) 0.1289(4) 0.186(7) Uani 1 1 d D U . . .
H19A H 0.2627 -0.1570 0.1070 0.224 Uiso 1 1 calc R . . . .
H19B H 0.3002 -0.1796 0.1333 0.224 Uiso 1 1 calc R . . . .
C99 C 0.1851(4) -0.0087(10) -0.0575(5) 0.215(9) Uani 1 1 d D U . . .
H99A H 0.1682 -0.0276 -0.0887 0.322 Uiso 1 1 calc GR . . . .
H99B H 0.2091 -0.0198 -0.0390 0.322 Uiso 1 1 calc GR . . . .
H99C H 0.1829 0.0271 -0.0650 0.322 Uiso 1 1 calc GR . . . .
C13 C 0.1864(3) -0.0639(7) 0.0437(4) 0.184(6) Uani 1 1 d D U . . .
H13A H 0.1815 -0.0289 0.0459 0.221 Uiso 1 1 calc R . . . .
H13B H 0.1632 -0.0798 0.0163 0.221 Uiso 1 1 calc R . . . .
C113 C 0.2866(4) -0.0957(6) 0.0257(6) 0.217(10) Uani 1 1 d D U . . .
H11A H 0.2831 -0.1121 -0.0007 0.325 Uiso 1 1 calc GR . . . .
H11B H 0.3105 -0.0818 0.0507 0.325 Uiso 1 1 calc GR . . . .
H11C H 0.2694 -0.0687 0.0113 0.325 Uiso 1 1 calc GR . . . .
C73 C 0.3036(6) -0.1310(8) 0.1796(4) 0.219(11) Uani 1 1 d D U . . .
H73A H 0.3064 -0.0945 0.1814 0.329 Uiso 1 1 d R . . . .
H73B H 0.3266 -0.1466 0.2064 0.329 Uiso 1 1 d R . . . .
H73C H 0.2876 -0.1399 0.1830 0.329 Uiso 1 1 d R . . . .
C145 C 0.2020(6) -0.0897(9) 0.0917(5) 0.245(11) Uani 1 1 d D U . . .
H14A H 0.1831 -0.0957 0.0899 0.367 Uiso 1 1 d R . . . .
H14B H 0.2219 -0.0734 0.1234 0.367 Uiso 1 1 d R . . . .
H14C H 0.2098 -0.1218 0.0895 0.367 Uiso 1 1 d R . . . .
C135 C 0.2818(3) -0.1341(5) 0.0505(3) 0.166(5) Uani 1 1 d D U . . .
H13C H 0.2977 -0.1630 0.0630 0.199 Uiso 1 1 calc R . . . .
H13D H 0.2571 -0.1462 0.0267 0.199 Uiso 1 1 calc R . . . .
C31 C 0.3145(4) 0.4779(9) 0.1581(4) 0.222(10) Uani 1 1 d D U . . .
H41 H 0.2905 0.4794 0.1247 0.332 Uiso 1 1 calc GR . . . .
H42 H 0.3230 0.4432 0.1659 0.332 Uiso 1 1 calc GR . . . .
H43 H 0.3301 0.4990 0.1591 0.332 Uiso 1 1 calc GR . . . .
C133 C 0.1049(2) 0.3281(5) 0.0740(4) 0.185(6) Uani 1 1 d D U . . .
H13E H 0.1072 0.3638 0.0828 0.222 Uiso 1 1 calc DR . . . .
H13F H 0.0803 0.3219 0.0420 0.222 Uiso 1 1 calc DR . . . .
C143 C 0.3743(3) 0.6419(5) 0.6191(5) 0.168(4) Uani 1 1 d D U . . .
C289 C 0.3984(3) 0.6783(6) 0.6535(5) 0.188(5) Uani 1 1 d G U . . .
H44 H 0.4227 0.6743 0.6725 0.226 Uiso 1 1 calc R . . . .
C263 C 0.3868(4) 0.7205(5) 0.6602(5) 0.197(6) Uani 1 1 d G U . . .
H45 H 0.4033 0.7453 0.6837 0.237 Uiso 1 1 calc R . . . .
C2 C 0.3512(4) 0.7263(5) 0.6324(6) 0.192(5) Uani 1 1 d G U . . .
H46 H 0.3434 0.7552 0.6369 0.230 Uiso 1 1 calc R . . . .
C139 C 0.3272(3) 0.6900(6) 0.5979(5) 0.186(5) Uani 1 1 d G U . . .
H47 H 0.3029 0.6939 0.5790 0.223 Uiso 1 1 calc R . . . .
C137 C 0.3387(3) 0.6477(5) 0.5913(4) 0.169(4) Uani 1 1 d G U . . .
H48 H 0.3223 0.6229 0.5678 0.203 Uiso 1 1 calc R . . . .
C127 C 0.4193(3) 0.3378(3) 0.5260(4) 0.129(3) Uani 1 1 d D U . . .
C277 C 0.3902(2) 0.3089(4) 0.4881(4) 0.136(4) Uani 1 1 d G U . . .
H49 H 0.3679 0.3157 0.4763 0.164 Uiso 1 1 calc R . . . .
C267 C 0.3936(2) 0.2699(3) 0.4675(3) 0.132(4) Uani 1 1 d G U . . .
H50 H 0.3738 0.2501 0.4415 0.158 Uiso 1 1 calc R . . . .
N129 N 0.4263(3) 0.2599(3) 0.4847(4) 0.134(3) Uani 1 1 d G U . . .
C253 C 0.4554(2) 0.2889(4) 0.5226(4) 0.145(4) Uani 1 1 d G U . . .
H51 H 0.4777 0.2821 0.5344 0.175 Uiso 1 1 calc R . . . .
C363 C 0.4519(2) 0.3279(4) 0.5433(3) 0.135(4) Uani 1 1 d G U . . .
H52 H 0.4718 0.3477 0.5692 0.162 Uiso 1 1 calc R . . . .
C29 C 0.4333(3) 0.4398(3) 0.6829(3) 0.181(4) Uani 1 1 d D U . . .
C125 C 0.4238(2) 0.4065(5) 0.7051(3) 0.245(6) Uani 1 1 d D U . . .
C119 C 0.3886(2) 0.3937(5) 0.6751(4) 0.271(7) Uani 1 1 d DG U . . .
H53 H 0.3706 0.4135 0.6467 0.325 Uiso 1 1 calc DR . . . .
C257 C 0.3799(4) 0.3521(6) 0.6866(6) 0.295(8) Uani 1 1 d G U . . .
H54 H 0.3558 0.3434 0.6661 0.354 Uiso 1 1 calc R . . . .
C141 C 0.4063(5) 0.3232(5) 0.7282(5) 0.299(8) Uani 1 1 d G U . . .
H55 H 0.4003 0.2948 0.7361 0.359 Uiso 1 1 calc R . . . .
C115 C 0.4415(4) 0.3360(4) 0.7582(4) 0.291(8) Uani 1 1 d G U . . .
H56 H 0.4595 0.3162 0.7866 0.349 Uiso 1 1 calc R . . . .
C65 C 0.4502(3) 0.3776(6) 0.7466(3) 0.277(7) Uani 1 1 d DG U . . .
H57 H 0.4743 0.3863 0.7671 0.333 Uiso 1 1 calc R . . . .
C261 C 0.4345(6) 0.1097(7) 0.5490(6) 0.37(2) Uani 1 1 d D U . . .
H58 H 0.4406 0.0844 0.5374 0.551 Uiso 1 1 d R . . . .
H59 H 0.4119 0.1008 0.5377 0.551 Uiso 1 1 d R . . . .
H60 H 0.4529 0.1110 0.5855 0.551 Uiso 1 1 d R . . . .
C33 C 0.1142(4) 0.2949(6) 0.1149(4) 0.274(11) Uani 1 1 d D U . . .
H33C H 0.1340 0.3140 0.1443 0.411 Uiso 1 1 d R . . . .
H33D H 0.1184 0.2590 0.1226 0.411 Uiso 1 1 d R . . . .
H33E H 0.0924 0.3047 0.1051 0.411 Uiso 1 1 d R . . . .
C233 C 0.3649(3) -0.1274(7) 0.1578(7) 0.311(14) Uani 1 1 d D U . . .
H23A H 0.3527 -0.1452 0.1266 0.467 Uiso 1 1 d R . . . .
H23B H 0.3689 -0.1502 0.1816 0.467 Uiso 1 1 d R . . . .
H23C H 0.3876 -0.1149 0.1716 0.467 Uiso 1 1 d R . . . .
C273 C 0.2745(3) 0.5811(5) 0.1414(3) 0.243(9) Uani 1 1 d D U . . .
H61 H 0.2793 0.6176 0.1451 0.292 Uiso 1 1 calc DR . . . .
H63 H 0.2790 0.5696 0.1215 0.292 Uiso 1 1 calc R . . . .
C239 C 0.2344(2) 0.5853(9) 0.0979(5) 0.320(14) Uani 1 1 d D U . . .
H64 H 0.2260 0.5597 0.0730 0.479 Uiso 1 1 calc GR . . . .
H65 H 0.2283 0.6186 0.0828 0.479 Uiso 1 1 calc DGR . . . .
H66 H 0.2234 0.5803 0.1100 0.479 Uiso 1 1 calc DGR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt16 P8 2.217(4) . ?
Pt16 P14 2.260(4) . ?
Pt16 O48 2.078(8) . ?
Pt16 N22 2.093(5) . ?
Pt44 P38 2.224(4) . ?
Pt44 P26 2.257(4) . ?
Pt44 O20 2.046(8) . ?
Pt44 N28 2.096(5) . ?
Pt36 P12 2.253(6) . ?
Pt36 P24 2.232(5) . ?
Pt36 O42 2.064(9) . ?
Pt36 N129 2.025(8) . ?
Pt46 P40 2.261(5) . ?
Pt46 P18 2.229(5) . ?
Pt46 O50 2.083(9) . ?
Pt46 N314 2.072(7) . ?
P38 C280 1.785(3) . ?
P38 C307 1.785(3) . ?
P38 C331 1.785(3) . ?
P26 C321 1.785(3) . ?
P26 C213 1.785(3) . ?
P26 C133 1.785(3) . ?
P8 C270 1.785(3) . ?
P8 C319 1.785(3) . ?
P8 C343 1.785(3) . ?
P14 C284 1.785(3) . ?
P14 C169 1.785(3) . ?
P14 C273 1.784(3) . ?
P12 C262 1.785(3) . ?
P12 C337 1.785(3) . ?
P12 C43 1.785(3) . ?
P40 C357 1.785(3) . ?
P40 C177 1.785(3) . ?
P40 C13 1.785(3) . ?
P24 C220 1.785(3) . ?
P24 C313 1.785(3) . ?
P24 C95 1.784(3) . ?
P18 C340 1.785(3) . ?
P18 C193 1.785(3) . ?
P18 C135 1.785(3) . ?
O20 C116 1.251(7) . ?
O48 C130 1.249(7) . ?
O42 C144 1.251(8) . ?
N22 C164 1.3900 . ?
N22 C70 1.3900 . ?
C164 H 0.9500 . ?
C164 C118 1.3900 . ?
C118 HA 0.9500 . ?
C118 C88 1.3900 . ?
C88 C126 1.3900 . ?
C88 C114 1.535(5) . ?
C126 HB 0.9500 . ?
C126 C70 1.3900 . ?
C70 HC 0.9500 . ?
O50 C82 1.254(8) . ?
N28 C96 1.3900 . ?
N28 C138 1.3900 . ?
C96 H96 0.9500 . ?
C96 C142 1.3900 . ?
C142 H142 0.9500 . ?
C142 C106 1.3900 . ?
C106 C158 1.3900 . ?
C106 C166 1.535(5) . ?
C158 H158 0.9500 . ?
C158 C138 1.3900 . ?
C138 H138 0.9500 . ?
O30 C144 1.242(8) . ?
O52 C82 1.248(7) . ?
O32 C130 1.248(7) . ?
N34 C122 1.373(15) . ?
N34 C266 1.394(16) . ?
C10 C124 1.3900 . ?
C10 C134 1.3900 . ?
C10 C144 1.483(13) . ?
C124 HD 0.9500 . ?
C124 C100 1.3900 . ?
C100 C4 1.3900 . ?
C100 C130 1.506(13) . ?
C4 HE 0.9500 . ?
C4 C120 1.3900 . ?
C120 C134 1.3900 . ?
C120 C182 1.488(14) . ?
C134 HF 0.9500 . ?
N1 C150 1.398(18) . ?
N1 C323 1.472(18) . ?
O132 C116 1.241(7) . ?
N178 C170 1.390(16) . ?
N178 C152 1.365(15) . ?
N180 C68 1.361(15) . ?
N180 C204 1.300(16) . ?
C92 H92 0.9500 . ?
C92 C108 1.3900 . ?
C92 C136 1.3900 . ?
C108 C62 1.3900 . ?
C108 C116 1.472(13) . ?
C62 H62 0.9500 . ?
C62 C176 1.3900 . ?
C176 C146 1.3900 . ?
C176 C82 1.473(13) . ?
C146 H146 0.9500 . ?
C146 C136 1.3900 . ?
C136 C72 1.493(15) . ?
C114 C68 1.392(4) . ?
C114 C152 1.392(4) . ?
C166 C122 1.392(4) . ?
C166 C60 1.392(4) . ?
C122 C226 1.401(3) . ?
C170 C74 1.401(4) . ?
C170 C192 1.392(4) . ?
N110 C60 1.373(14) . ?
N110 C78 1.371(16) . ?
N112 C140 1.438(19) . ?
N112 C79 1.463(17) . ?
C68 C320 1.401(3) . ?
C182 C198 1.362(19) . ?
C182 C296 1.435(19) . ?
C152 C66 1.401(3) . ?
C140 C192 1.392(4) . ?
C140 C317 1.401(3) . ?
C150 C80 1.392(4) . ?
C150 C244 1.401(3) . ?
N154 C230 1.305(18) . ?
N154 C302 1.365(18) . ?
C160 H160 0.9500 . ?
C160 C78 1.401(4) . ?
C160 C222 1.401(3) . ?
C60 C222 1.401(3) . ?
C72 C268 1.333(19) . ?
C72 C308 1.45(2) 7 ?
C66 HG 0.9500 . ?
C66 C74 1.401(3) . ?
C74 HH 0.9500 . ?
C78 C80 1.392(4) . ?
C80 C232 1.535(5) . ?
N188 C186 1.387(17) . ?
N188 C322 1.346(19) . ?
C186 C190 1.401(3) . ?
C186 C29 1.392(4) . ?
C190 HI 0.9500 . ?
C190 C324 1.401(4) . ?
C324 HJ 0.9500 . ?
C324 C322 1.401(4) . ?
C322 C212 1.392(4) . ?
C320 HK 0.9500 . ?
C320 C303 1.401(4) . ?
C208 C266 1.392(4) . ?
C208 C230 1.392(4) . ?
C208 C250 1.535(5) . ?
C232 C294 1.3900 . ?
C232 C224 1.3900 . ?
C294 H294 0.9500 . ?
C294 C228 1.3900 . ?
C228 H228 0.9500 . ?
C228 N314 1.3900 . ?
N314 C240 1.3900 . ?
C240 H240 0.9500 . ?
C240 C224 1.3900 . ?
C224 H224 0.9500 . ?
C198 HL 0.9500 . ?
C198 C296 1.305(18) 5_666 ?
C222 H222 0.9500 . ?
C226 H226 0.9500 . ?
C226 C242 1.401(4) . ?
C266 C242 1.401(3) . ?
C192 C127 1.535(5) . ?
C230 C196 1.401(4) . ?
C242 H242 0.9500 . ?
C244 H244 0.9500 . ?
C244 C206 1.401(4) . ?
C296 C198 1.305(18) 5_666 ?
C296 HM 0.9500 . ?
C250 C252 1.3900 . ?
C250 C306 1.3900 . ?
C252 H252 0.9500 . ?
C252 C194 1.3900 . ?
C194 H194 0.9500 . ?
C194 C274 1.3900 . ?
C274 H274 0.9500 . ?
C274 C254 1.3900 . ?
C254 H254 0.9500 . ?
C254 C306 1.3900 . ?
C306 H306 0.9500 . ?
C196 H196 0.9500 . ?
C196 C316 1.401(3) . ?
C262 HN 0.9900 . ?
C262 HO 0.9900 . ?
C262 C167 1.529(4) . ?
C268 H268 0.9500 . ?
C268 C308 1.38(2) . ?
C302 C316 1.401(4) . ?
C302 C297 1.392(4) . ?
C270 HP 0.9900 . ?
C270 HQ 0.9900 . ?
C270 C217 1.529(4) . ?
C280 H28A 0.9900 . ?
C280 H28B 0.9900 . ?
C280 C103 1.529(4) . ?
C284 HR 0.9900 . ?
C284 HS 0.9900 . ?
C284 C31 1.529(4) . ?
C308 C72 1.45(2) 7 ?
C308 H308 0.9500 . ?
C316 H316 0.9500 . ?
C204 C212 1.392(4) . ?
C204 C303 1.401(3) . ?
C206 H206 0.9500 . ?
C206 C323 1.401(4) . ?
C212 C143 1.535(5) . ?
C220 HT 0.9900 . ?
C220 HU 0.9900 . ?
C220 C111 1.529(4) . ?
C173 C157 1.3900 . ?
C173 C77 1.3900 . ?
C173 C297 1.535(5) . ?
C157 H157 0.9500 . ?
C157 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C335 1.3900 . ?
C335 H335 0.9500 . ?
C335 C301 1.3900 . ?
C301 H301 0.9500 . ?
C301 C77 1.3900 . ?
C77 H77 0.9500 . ?
C323 C297 1.392(4) . ?
C79 C83 1.401(3) . ?
C79 C29 1.392(4) . ?
C307 H30A 0.9900 . ?
C307 H30B 0.9900 . ?
C307 C215 1.529(4) . ?
C321 H32A 0.9900 . ?
C321 H32B 0.9900 . ?
C321 C109 1.529(4) . ?
C319 HV 0.9900 . ?
C319 HW 0.9900 . ?
C319 C305 1.529(4) . ?
C313 HX 0.9900 . ?
C313 HY 0.9900 . ?
C313 C223 1.529(4) . ?
C357 H35A 0.9900 . ?
C357 H35B 0.9900 . ?
C357 C99 1.529(4) . ?
C337 HZ 0.9900 . ?
C337 H1 0.9900 . ?
C337 C51 1.529(4) . ?
C303 H2 0.9500 . ?
C83 H3 0.9500 . ?
C83 C317 1.401(3) . ?
C43 H4 0.9900 . ?
C43 H5 0.9900 . ?
C43 C346 1.529(4) . ?
C317 H6 0.9500 . ?
C169 H7 0.9900 . ?
C169 H8 0.9900 . ?
C169 C352 1.529(4) . ?
C343 H9 0.9900 . ?
C343 H10 0.9900 . ?
C343 C7 1.529(4) . ?
C331 H33A 0.9900 . ?
C331 H33B 0.9900 . ?
C331 C181 1.529(4) . ?
C167 H11 0.9800 . ?
C167 H12 0.9800 . ?
C167 H13 0.9800 . ?
C177 H17A 0.9900 . ?
C177 H17B 0.9900 . ?
C177 C350 1.529(4) . ?
C305 H14 0.9799 . ?
C305 H15 0.9808 . ?
C305 H16 0.9787 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 C213 1.529(4) . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C215 H21A 0.9800 . ?
C215 H21B 0.9800 . ?
C215 H21C 0.9800 . ?
C7 H17 0.9788 . ?
C7 H18 0.9795 . ?
C7 H19 0.9804 . ?
C217 H20 0.9800 . ?
C217 H22 0.9800 . ?
C217 H23 0.9800 . ?
C352 H24 0.9799 . ?
C352 H25 0.9807 . ?
C352 H26 0.9794 . ?
C213 H21D 0.9900 . ?
C213 H21E 0.9900 . ?
C51 H27 0.9800 . ?
C51 H28 0.9800 . ?
C51 H29 0.9800 . ?
C109 H10A 0.9795 . ?
C109 H10B 0.9793 . ?
C109 H10C 0.9796 . ?
C103 H10D 0.9797 . ?
C103 H10E 0.9789 . ?
C103 H10F 0.9815 . ?
C111 H30 0.9802 . ?
C111 H31 0.9803 . ?
C111 H32 0.9792 . ?
C223 H33 0.9802 . ?
C223 H34 0.9802 . ?
C223 H35 0.9804 . ?
C340 H34A 0.9900 . ?
C340 H34B 0.9900 . ?
C340 C233 1.529(4) . ?
C346 H36 0.9800 . ?
C346 H37 0.9800 . ?
C346 H38 0.9800 . ?
C350 H35C 0.9790 . ?
C350 H35D 0.9786 . ?
C350 H35E 0.9795 . ?
C95 H39 0.9900 . ?
C95 H40 0.9900 . ?
C95 C261 1.529(4) . ?
C193 H19A 0.9900 . ?
C193 H19B 0.9900 . ?
C193 C73 1.529(4) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C145 1.529(4) . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C113 C135 1.529(4) . ?
C73 H73A 0.9807 . ?
C73 H73B 0.9792 . ?
C73 H73C 0.9792 . ?
C145 H14A 0.9803 . ?
C145 H14B 0.9797 . ?
C145 H14C 0.9809 . ?
C135 H13C 0.9900 . ?
C135 H13D 0.9900 . ?
C31 H41 0.9800 . ?
C31 H42 0.9800 . ?
C31 H43 0.9800 . ?
C133 H13E 0.9900 . ?
C133 H13F 0.9900 . ?
C133 C33 1.529(4) . ?
C143 C289 1.3900 . ?
C143 C137 1.3900 . ?
C289 H44 0.9500 . ?
C289 C263 1.3900 . ?
C263 H45 0.9500 . ?
C263 C2 1.3900 . ?
C2 H46 0.9500 . ?
C2 C139 1.3900 . ?
C139 H47 0.9500 . ?
C139 C137 1.3900 . ?
C137 H48 0.9500 . ?
C127 C277 1.3900 . ?
C127 C363 1.3900 . ?
C277 H49 0.9500 . ?
C277 C267 1.3900 . ?
C267 H50 0.9500 . ?
C267 N129 1.3900 . ?
N129 C253 1.3900 . ?
C253 H51 0.9500 . ?
C253 C363 1.3900 . ?
C363 H52 0.9500 . ?
C29 C125 1.535(5) . ?
C125 C119 1.3900 . ?
C125 C65 1.3900 . ?
C119 H53 0.9500 . ?
C119 C257 1.3900 . ?
C257 H54 0.9500 . ?
C257 C141 1.3900 . ?
C141 H55 0.9500 . ?
C141 C115 1.3900 . ?
C115 H56 0.9500 . ?
C115 C65 1.3900 . ?
C65 H57 0.9500 . ?
C261 H58 0.9800 . ?
C261 H59 0.9819 . ?
C261 H60 0.9799 . ?
C33 H33C 0.9801 . ?
C33 H33D 0.9799 . ?
C33 H33E 0.9797 . ?
C233 H23A 0.9802 . ?
C233 H23B 0.9797 . ?
C233 H23C 0.9806 . ?
C273 H61 0.9900 . ?
C273 H63 0.9900 . ?
C273 C239 1.529(4) . ?
C239 H64 0.9800 . ?
C239 H65 0.9800 . ?
C239 H66 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
P8 Pt16 P14 97.49(16) . . ?
O48 Pt16 P8 170.0(3) . . ?
O48 Pt16 P14 86.7(3) . . ?
O48 Pt16 N22 81.5(3) . . ?
N22 Pt16 P8 93.7(2) . . ?
N22 Pt16 P14 167.9(3) . . ?
P38 Pt44 P26 97.93(15) . . ?
O20 Pt44 P38 170.1(3) . . ?
O20 Pt44 P26 87.0(3) . . ?
O20 Pt44 N28 81.8(3) . . ?
N28 Pt44 P38 92.8(2) . . ?
N28 Pt44 P26 168.5(2) . . ?
P24 Pt36 P12 97.8(2) . . ?
O42 Pt36 P12 88.2(4) . . ?
O42 Pt36 P24 172.7(3) . . ?
N129 Pt36 P12 169.0(3) . . ?
N129 Pt36 P24 93.0(3) . . ?
N129 Pt36 O42 81.0(4) . . ?
P18 Pt46 P40 98.25(19) . . ?
O50 Pt46 P40 88.6(3) . . ?
O50 Pt46 P18 171.7(3) . . ?
N314 Pt46 P40 169.5(3) . . ?
N314 Pt46 P18 92.2(3) . . ?
N314 Pt46 O50 81.0(4) . . ?
C280 P38 Pt44 115.4(5) . . ?
C307 P38 Pt44 111.1(4) . . ?
C307 P38 C280 106.7(7) . . ?
C307 P38 C331 109.1(7) . . ?
C331 P38 Pt44 115.7(6) . . ?
C331 P38 C280 97.9(7) . . ?
C321 P26 Pt44 112.6(4) . . ?
C213 P26 Pt44 110.1(5) . . ?
C213 P26 C321 109.1(9) . . ?
C133 P26 Pt44 124.9(4) . . ?
C133 P26 C321 92.8(8) . . ?
C133 P26 C213 105.7(6) . . ?
C270 P8 Pt16 117.5(5) . . ?
C270 P8 C319 105.3(7) . . ?
C270 P8 C343 99.2(7) . . ?
C319 P8 Pt16 112.0(4) . . ?
C319 P8 C343 107.3(7) . . ?
C343 P8 Pt16 114.3(5) . . ?
C284 P14 Pt16 107.5(5) . . ?
C284 P14 C169 111.6(9) . . ?
C284 P14 C273 102.0(7) . . ?
C169 P14 Pt16 106.5(7) . . ?
C273 P14 Pt16 108.5(6) . . ?
C273 P14 C169 120.1(8) . . ?
C262 P12 Pt36 111.0(7) . . ?
C262 P12 C337 98.4(7) . . ?
C262 P12 C43 101.9(9) . . ?
C337 P12 Pt36 113.1(8) . . ?
C43 P12 Pt36 123.8(5) . . ?
C43 P12 C337 105.2(8) . . ?
C357 P40 Pt46 113.0(5) . . ?
C357 P40 C177 104.4(8) . . ?
C357 P40 C13 95.0(7) . . ?
C177 P40 Pt46 122.4(5) . . ?
C13 P40 Pt46 113.3(5) . . ?
C13 P40 C177 105.0(9) . . ?
C220 P24 Pt36 117.5(6) . . ?
C313 P24 Pt36 114.2(6) . . ?
C313 P24 C220 111.0(7) . . ?
C313 P24 C95 93.2(9) . . ?
C95 P24 Pt36 113.3(6) . . ?
C95 P24 C220 104.6(9) . . ?
C340 P18 Pt46 110.4(6) . . ?
C340 P18 C193 101.2(10) . . ?
C340 P18 C135 109.1(9) . . ?
C193 P18 Pt46 116.5(6) . . ?
C135 P18 Pt46 116.4(5) . . ?
C135 P18 C193 102.0(7) . . ?
C116 O20 Pt44 131.1(8) . . ?
C130 O48 Pt16 128.5(8) . . ?
C144 O42 Pt36 125.2(9) . . ?
C164 N22 Pt16 119.1(4) . . ?
C164 N22 C70 120.0 . . ?
C70 N22 Pt16 117.1(4) . . ?
N22 C164 H 120.0 . . ?
N22 C164 C118 120.0 . . ?
C118 C164 H 120.0 . . ?
C164 C118 HA 120.0 . . ?
C88 C118 C164 120.0 . . ?
C88 C118 HA 120.0 . . ?
C118 C88 C126 120.0 . . ?
C118 C88 C114 119.2(7) . . ?
C126 C88 C114 119.5(7) . . ?
C88 C126 HB 120.0 . . ?
C70 C126 C88 120.0 . . ?
C70 C126 HB 120.0 . . ?
N22 C70 HC 120.0 . . ?
C126 C70 N22 120.0 . . ?
C126 C70 HC 120.0 . . ?
C82 O50 Pt46 124.4(8) . . ?
C96 N28 Pt44 119.7(4) . . ?
C96 N28 C138 120.0 . . ?
C138 N28 Pt44 116.3(4) . . ?
N28 C96 H96 120.0 . . ?
C142 C96 N28 120.0 . . ?
C142 C96 H96 120.0 . . ?
C96 C142 H142 120.0 . . ?
C96 C142 C106 120.0 . . ?
C106 C142 H142 120.0 . . ?
C142 C106 C166 119.6(7) . . ?
C158 C106 C142 120.0 . . ?
C158 C106 C166 119.2(7) . . ?
C106 C158 H158 120.0 . . ?
C138 C158 C106 120.0 . . ?
C138 C158 H158 120.0 . . ?
N28 C138 H138 120.0 . . ?
C158 C138 N28 120.0 . . ?
C158 C138 H138 120.0 . . ?
C122 N34 C266 106.2(10) . . ?
C124 C10 C134 120.0 . . ?
C124 C10 C144 120.4(6) . . ?
C134 C10 C144 119.6(6) . . ?
C10 C124 HD 120.0 . . ?
C100 C124 C10 120.0 . . ?
C100 C124 HD 120.0 . . ?
C124 C100 C4 120.0 . . ?
C124 C100 C130 121.8(6) . . ?
C4 C100 C130 118.2(6) . . ?
C100 C4 HE 120.0 . . ?
C120 C4 C100 120.0 . . ?
C120 C4 HE 120.0 . . ?
C4 C120 C182 116.8(7) . . ?
C134 C120 C4 120.0 . . ?
C134 C120 C182 122.7(7) . . ?
C10 C134 HF 120.0 . . ?
C120 C134 C10 120.0 . . ?
C120 C134 HF 120.0 . . ?
C150 N1 C323 105.5(10) . . ?
C152 N178 C170 107.3(10) . . ?
C204 N180 C68 110.1(11) . . ?
O42 C144 C10 117.8(9) . . ?
O30 C144 O42 123.8(12) . . ?
O30 C144 C10 118.4(9) . . ?
C108 C92 H92 120.0 . . ?
C136 C92 H92 120.0 . . ?
C136 C92 C108 120.0 . . ?
C92 C108 C116 117.1(6) . . ?
C62 C108 C92 120.0 . . ?
C62 C108 C116 122.9(6) . . ?
C108 C62 H62 120.0 . . ?
C108 C62 C176 120.0 . . ?
C176 C62 H62 120.0 . . ?
C62 C176 C82 120.6(6) . . ?
C146 C176 C62 120.0 . . ?
C146 C176 C82 119.4(6) . . ?
C176 C146 H146 120.0 . . ?
C176 C146 C136 120.0 . . ?
C136 C146 H146 120.0 . . ?
C92 C136 C72 117.3(7) . . ?
C146 C136 C92 120.0 . . ?
C146 C136 C72 122.4(7) . . ?
O48 C130 C100 113.8(9) . . ?
O32 C130 O48 126.8(12) . . ?
O32 C130 C100 119.4(9) . . ?
C68 C114 C88 119.9(8) . . ?
C152 C114 C88 114.5(8) . . ?
C152 C114 C68 125.5(7) . . ?
C122 C166 C106 120.0(8) . . ?
C122 C166 C60 125.7(8) . . ?
C60 C166 C106 114.3(7) . . ?
N34 C122 C166 123.3(9) . . ?
N34 C122 C226 111.2(8) . . ?
C166 C122 C226 125.5(9) . . ?
O20 C116 C108 116.8(9) . . ?
O132 C116 O20 122.5(12) . . ?
O132 C116 C108 120.6(9) . . ?
N178 C170 C74 110.1(9) . . ?
N178 C170 C192 125.9(10) . . ?
C192 C170 C74 124.0(10) . . ?
C78 N110 C60 107.3(9) . . ?
C140 N112 C79 103.4(11) . . ?
N180 C68 C114 125.8(9) . . ?
N180 C68 C320 108.5(9) . . ?
C114 C68 C320 125.2(9) . . ?
C198 C182 C120 123.2(12) . . ?
C198 C182 C296 113.4(13) . . ?
C296 C182 C120 123.4(12) . . ?
N178 C152 C114 126.4(9) . . ?
N178 C152 C66 108.6(9) . . ?
C114 C152 C66 124.9(9) . . ?
C192 C140 N112 121.0(10) . . ?
C192 C140 C317 128.8(11) . . ?
C317 C140 N112 110.2(10) . . ?
N1 C150 C244 109.9(9) . . ?
C80 C150 N1 123.1(10) . . ?
C80 C150 C244 127.0(11) . . ?
C230 N154 C302 105.1(10) . . ?
C78 C160 H160 127.7 . . ?
C78 C160 C222 104.7(9) . . ?
C222 C160 H160 127.7 . . ?
C166 C60 C222 125.1(9) . . ?
N110 C60 C166 126.7(9) . . ?
N110 C60 C222 108.2(9) . . ?
C268 C72 C136 122.9(13) . . ?
C268 C72 C308 118.1(14) . 7 ?
C308 C72 C136 119.0(12) 7 . ?
C152 C66 HG 125.6 . . ?
C74 C66 C152 108.8(8) . . ?
C74 C66 HG 125.6 . . ?
C170 C74 HH 127.4 . . ?
C66 C74 C170 105.2(8) . . ?
C66 C74 HH 127.4 . . ?
N110 C78 C160 110.9(9) . . ?
N110 C78 C80 124.8(9) . . ?
C80 C78 C160 124.2(10) . . ?
O50 C82 C176 117.6(9) . . ?
O52 C82 O50 124.4(12) . . ?
O52 C82 C176 117.9(9) . . ?
C150 C80 C78 128.4(8) . . ?
C150 C80 C232 116.0(9) . . ?
C78 C80 C232 115.5(8) . . ?
C322 N188 C186 107.4(11) . . ?
N188 C186 C190 110.8(10) . . ?
N188 C186 C29 126.0(12) . . ?
C29 C186 C190 123.1(10) . . ?
C186 C190 HI 128.1 . . ?
C324 C190 C186 103.9(10) . . ?
C324 C190 HI 128.1 . . ?
C190 C324 HJ 125.3 . . ?
C190 C324 C322 109.4(10) . . ?
C322 C324 HJ 125.3 . . ?
N188 C322 C324 108.6(11) . . ?
N188 C322 C212 121.2(11) . . ?
C212 C322 C324 130.1(12) . . ?
C68 C320 HK 127.4 . . ?
C303 C320 C68 105.2(8) . . ?
C303 C320 HK 127.4 . . ?
C266 C208 C230 131.1(9) . . ?
C266 C208 C250 115.7(10) . . ?
C230 C208 C250 112.5(9) . . ?
C294 C232 C80 121.6(10) . . ?
C294 C232 C224 120.0 . . ?
C224 C232 C80 117.4(10) . . ?
C232 C294 H294 120.0 . . ?
C232 C294 C228 120.0 . . ?
C228 C294 H294 120.0 . . ?
C294 C228 H228 120.0 . . ?
C294 C228 N314 120.0 . . ?
N314 C228 H228 120.0 . . ?
C228 N314 Pt46 121.0(6) . . ?
C240 N314 Pt46 116.1(6) . . ?
C240 N314 C228 120.0 . . ?
N314 C240 H240 120.0 . . ?
N314 C240 C224 120.0 . . ?
C224 C240 H240 120.0 . . ?
C232 C224 H224 120.0 . . ?
C240 C224 C232 120.0 . . ?
C240 C224 H224 120.0 . . ?
C182 C198 HL 117.1 . . ?
C296 C198 C182 125.8(15) 5_666 . ?
C296 C198 HL 117.1 5_666 . ?
C160 C222 H222 125.6 . . ?
C60 C222 C160 108.8(9) . . ?
C60 C222 H222 125.6 . . ?
C122 C226 H226 127.3 . . ?
C242 C226 C122 105.5(8) . . ?
C242 C226 H226 127.3 . . ?
N34 C266 C242 108.9(8) . . ?
C208 C266 N34 122.4(11) . . ?
C208 C266 C242 128.7(10) . . ?
C170 C192 C140 128.4(9) . . ?
C170 C192 C127 116.2(9) . . ?
C140 C192 C127 115.3(9) . . ?
N154 C230 C208 123.5(10) . . ?
N154 C230 C196 112.5(11) . . ?
C208 C230 C196 123.9(11) . . ?
C226 C242 C266 108.2(8) . . ?
C226 C242 H242 125.9 . . ?
C266 C242 H242 125.9 . . ?
C150 C244 H244 125.8 . . ?
C150 C244 C206 108.4(9) . . ?
C206 C244 H244 125.8 . . ?
C182 C296 HM 120.0 . . ?
C198 C296 C182 120.1(14) 5_666 . ?
C198 C296 HM 120.0 5_666 . ?
C252 C250 C208 117.6(12) . . ?
C252 C250 C306 120.0 . . ?
C306 C250 C208 122.4(12) . . ?
C250 C252 H252 120.0 . . ?
C194 C252 C250 120.0 . . ?
C194 C252 H252 120.0 . . ?
C252 C194 H194 120.0 . . ?
C252 C194 C274 120.0 . . ?
C274 C194 H194 120.0 . . ?
C194 C274 H274 120.0 . . ?
C254 C274 C194 120.0 . . ?
C254 C274 H274 120.0 . . ?
C274 C254 H254 120.0 . . ?
C306 C254 C274 120.0 . . ?
C306 C254 H254 120.0 . . ?
C250 C306 H306 120.0 . . ?
C254 C306 C250 120.0 . . ?
C254 C306 H306 120.0 . . ?
C230 C196 H196 126.9 . . ?
C316 C196 C230 106.2(10) . . ?
C316 C196 H196 126.9 . . ?
P12 C262 HN 108.4 . . ?
P12 C262 HO 108.4 . . ?
HN C262 HO 107.5 . . ?
C167 C262 P12 115.3(13) . . ?
C167 C262 HN 108.4 . . ?
C167 C262 HO 108.4 . . ?
C72 C268 H268 117.2 . . ?
C72 C268 C308 125.6(15) . . ?
C308 C268 H268 117.2 . . ?
N154 C302 C316 112.3(11) . . ?
N154 C302 C297 124.1(11) . . ?
C297 C302 C316 122.2(11) . . ?
P8 C270 HP 109.7 . . ?
P8 C270 HQ 109.7 . . ?
HP C270 HQ 108.2 . . ?
C217 C270 P8 109.6(9) . . ?
C217 C270 HP 109.7 . . ?
C217 C270 HQ 109.7 . . ?
P38 C280 H28A 110.7 . . ?
P38 C280 H28B 110.7 . . ?
H28A C280 H28B 108.8 . . ?
C103 C280 P38 105.1(12) . . ?
C103 C280 H28A 110.7 . . ?
C103 C280 H28B 110.7 . . ?
P14 C284 HR 109.1 . . ?
P14 C284 HS 109.1 . . ?
HR C284 HS 107.9 . . ?
C31 C284 P14 112.4(12) . . ?
C31 C284 HR 109.1 . . ?
C31 C284 HS 109.1 . . ?
C72 C308 H308 121.9 7 . ?
C268 C308 C72 116.2(14) . 7 ?
C268 C308 H308 121.9 . . ?
C196 C316 C302 103.4(10) . . ?
C196 C316 H316 128.3 . . ?
C302 C316 H316 128.3 . . ?
N180 C204 C212 125.3(11) . . ?
N180 C204 C303 109.0(9) . . ?
C212 C204 C303 125.6(11) . . ?
C244 C206 H206 125.8 . . ?
C323 C206 C244 108.4(10) . . ?
C323 C206 H206 125.8 . . ?
C322 C212 C143 104.6(10) . . ?
C204 C212 C322 131.8(10) . . ?
C204 C212 C143 121.9(10) . . ?
P24 C220 HT 107.9 . . ?
P24 C220 HU 107.9 . . ?
HT C220 HU 107.2 . . ?
C111 C220 P24 117.4(11) . . ?
C111 C220 HT 107.9 . . ?
C111 C220 HU 107.9 . . ?
C157 C173 C77 120.0 . . ?
C157 C173 C297 119.1(13) . . ?
C77 C173 C297 120.2(13) . . ?
C173 C157 H157 120.0 . . ?
C21 C157 C173 120.0 . . ?
C21 C157 H157 120.0 . . ?
C157 C21 H21 120.0 . . ?
C157 C21 C335 120.0 . . ?
C335 C21 H21 120.0 . . ?
C21 C335 H335 120.0 . . ?
C21 C335 C301 120.0 . . ?
C301 C335 H335 120.0 . . ?
C335 C301 H301 120.0 . . ?
C335 C301 C77 120.0 . . ?
C77 C301 H301 120.0 . . ?
C173 C77 H77 120.0 . . ?
C301 C77 C173 120.0 . . ?
C301 C77 H77 120.0 . . ?
C206 C323 N1 107.7(11) . . ?
C297 C323 N1 119.8(11) . . ?
C297 C323 C206 130.9(11) . . ?
C83 C79 N112 110.0(11) . . ?
C29 C79 N112 122.0(11) . . ?
C29 C79 C83 127.3(9) . . ?
P38 C307 H30A 108.9 . . ?
P38 C307 H30B 108.9 . . ?
H30A C307 H30B 107.7 . . ?
C215 C307 P38 113.3(8) . . ?
C215 C307 H30A 108.9 . . ?
C215 C307 H30B 108.9 . . ?
P26 C321 H32A 110.0 . . ?
P26 C321 H32B 110.0 . . ?
H32A C321 H32B 108.3 . . ?
C109 C321 P26 108.7(8) . . ?
C109 C321 H32A 110.0 . . ?
C109 C321 H32B 110.0 . . ?
P8 C319 HV 107.9 . . ?
P8 C319 HW 107.9 . . ?
HV C319 HW 107.2 . . ?
C305 C319 P8 117.5(9) . . ?
C305 C319 HV 107.9 . . ?
C305 C319 HW 107.9 . . ?
P24 C313 HX 107.5 . . ?
P24 C313 HY 107.5 . . ?
HX C313 HY 107.0 . . ?
C223 C313 P24 119.4(11) . . ?
C223 C313 HX 107.5 . . ?
C223 C313 HY 107.5 . . ?
C302 C297 C173 122.3(11) . . ?
C323 C297 C302 129.4(9) . . ?
C323 C297 C173 106.8(10) . . ?
P40 C357 H35A 109.4 . . ?
P40 C357 H35B 109.4 . . ?
H35A C357 H35B 108.0 . . ?
C99 C357 P40 111.3(11) . . ?
C99 C357 H35A 109.4 . . ?
C99 C357 H35B 109.4 . . ?
P12 C337 HZ 108.1 . . ?
P12 C337 H1 108.1 . . ?
HZ C337 H1 107.3 . . ?
C51 C337 P12 116.6(10) . . ?
C51 C337 HZ 108.1 . . ?
C51 C337 H1 108.1 . . ?
C320 C303 C204 107.2(9) . . ?
C320 C303 H2 126.4 . . ?
C204 C303 H2 126.4 . . ?
C79 C83 H3 126.1 . . ?
C317 C83 C79 107.7(11) . . ?
C317 C83 H3 126.1 . . ?
P12 C43 H4 108.3 . . ?
P12 C43 H5 108.3 . . ?
H4 C43 H5 107.4 . . ?
C346 C43 P12 115.8(11) . . ?
C346 C43 H4 108.3 . . ?
C346 C43 H5 108.3 . . ?
C140 C317 C83 108.7(10) . . ?
C140 C317 H6 125.7 . . ?
C83 C317 H6 125.7 . . ?
P14 C169 H7 109.1 . . ?
P14 C169 H8 109.1 . . ?
H7 C169 H8 107.9 . . ?
C352 C169 P14 112.4(10) . . ?
C352 C169 H7 109.1 . . ?
C352 C169 H8 109.1 . . ?
P8 C343 H9 108.8 . . ?
P8 C343 H10 108.8 . . ?
H9 C343 H10 107.7 . . ?
C7 C343 P8 113.6(9) . . ?
C7 C343 H9 108.8 . . ?
C7 C343 H10 108.8 . . ?
P38 C331 H33A 109.6 . . ?
P38 C331 H33B 109.6 . . ?
H33A C331 H33B 108.1 . . ?
C181 C331 P38 110.4(9) . . ?
C181 C331 H33A 109.6 . . ?
C181 C331 H33B 109.6 . . ?
C262 C167 H11 109.5 . . ?
C262 C167 H12 109.5 . . ?
C262 C167 H13 109.5 . . ?
H11 C167 H12 109.5 . . ?
H11 C167 H13 109.5 . . ?
H12 C167 H13 109.5 . . ?
P40 C177 H17A 108.0 . . ?
P40 C177 H17B 108.0 . . ?
H17A C177 H17B 107.2 . . ?
C350 C177 P40 117.2(9) . . ?
C350 C177 H17A 108.0 . . ?
C350 C177 H17B 108.0 . . ?
C319 C305 H14 109.9 . . ?
C319 C305 H15 108.5 . . ?
C319 C305 H16 110.0 . . ?
H14 C305 H15 109.4 . . ?
H14 C305 H16 109.6 . . ?
H15 C305 H16 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C213 C45 H45A 109.5 . . ?
C213 C45 H45B 109.5 . . ?
C213 C45 H45C 109.5 . . ?
C331 C181 H18A 109.5 . . ?
C331 C181 H18B 109.5 . . ?
C331 C181 H18C 109.5 . . ?
H18A C181 H18B 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C307 C215 H21A 109.5 . . ?
C307 C215 H21B 109.5 . . ?
C307 C215 H21C 109.5 . . ?
H21A C215 H21B 109.5 . . ?
H21A C215 H21C 109.5 . . ?
H21B C215 H21C 109.5 . . ?
C343 C7 H17 108.5 . . ?
C343 C7 H18 108.6 . . ?
C343 C7 H19 111.3 . . ?
H17 C7 H18 109.4 . . ?
H17 C7 H19 109.5 . . ?
H18 C7 H19 109.5 . . ?
C270 C217 H20 109.5 . . ?
C270 C217 H22 109.5 . . ?
C270 C217 H23 109.5 . . ?
H20 C217 H22 109.5 . . ?
H20 C217 H23 109.5 . . ?
H22 C217 H23 109.5 . . ?
C169 C352 H24 109.8 . . ?
C169 C352 H25 108.1 . . ?
C169 C352 H26 110.5 . . ?
H24 C352 H25 109.5 . . ?
H24 C352 H26 109.5 . . ?
H25 C352 H26 109.5 . . ?
P26 C213 H21D 109.6 . . ?
P26 C213 H21E 109.6 . . ?
C45 C213 P26 110.4(10) . . ?
C45 C213 H21D 109.6 . . ?
C45 C213 H21E 109.6 . . ?
H21D C213 H21E 108.1 . . ?
C337 C51 H27 109.5 . . ?
C337 C51 H28 109.5 . . ?
C337 C51 H29 109.5 . . ?
H27 C51 H28 109.5 . . ?
H27 C51 H29 109.5 . . ?
H28 C51 H29 109.5 . . ?
C321 C109 H10A 111.1 . . ?
C321 C109 H10B 110.9 . . ?
C321 C109 H10C 106.3 . . ?
H10A C109 H10B 109.4 . . ?
H10A C109 H10C 109.5 . . ?
H10B C109 H10C 109.5 . . ?
C280 C103 H10D 89.7 . . ?
C280 C103 H10E 112.8 . . ?
C280 C103 H10F 123.6 . . ?
H10D C103 H10E 109.6 . . ?
H10D C103 H10F 109.4 . . ?
H10E C103 H10F 109.5 . . ?
C220 C111 H30 107.9 . . ?
C220 C111 H31 109.4 . . ?
C220 C111 H32 111.0 . . ?
H30 C111 H31 109.5 . . ?
H30 C111 H32 109.5 . . ?
H31 C111 H32 109.5 . . ?
C313 C223 H33 107.2 . . ?
C313 C223 H34 110.8 . . ?
C313 C223 H35 110.5 . . ?
H33 C223 H34 109.5 . . ?
H33 C223 H35 109.5 . . ?
H34 C223 H35 109.4 . . ?
P18 C340 H34A 107.0 . . ?
P18 C340 H34B 107.0 . . ?
H34A C340 H34B 106.7 . . ?
C233 C340 P18 121.4(10) . . ?
C233 C340 H34A 107.0 . . ?
C233 C340 H34B 107.0 . . ?
C43 C346 H36 109.5 . . ?
C43 C346 H37 109.5 . . ?
C43 C346 H38 109.5 . . ?
H36 C346 H37 109.5 . . ?
H36 C346 H38 109.5 . . ?
H37 C346 H38 109.5 . . ?
C177 C350 H35C 119.3 . . ?
C177 C350 H35D 100.2 . . ?
C177 C350 H35E 108.4 . . ?
H35C C350 H35D 109.5 . . ?
H35C C350 H35E 109.5 . . ?
H35D C350 H35E 109.5 . . ?
P24 C95 H39 106.1 . . ?
P24 C95 H40 106.1 . . ?
H39 C95 H40 106.3 . . ?
C261 C95 P24 125.0(13) . . ?
C261 C95 H39 106.1 . . ?
C261 C95 H40 106.1 . . ?
P18 C193 H19A 109.7 . . ?
P18 C193 H19B 109.7 . . ?
H19A C193 H19B 108.2 . . ?
C73 C193 P18 109.9(12) . . ?
C73 C193 H19A 109.7 . . ?
C73 C193 H19B 109.7 . . ?
C357 C99 H99A 109.5 . . ?
C357 C99 H99B 109.5 . . ?
C357 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
P40 C13 H13A 106.4 . . ?
P40 C13 H13B 106.4 . . ?
H13A C13 H13B 106.4 . . ?
C145 C13 P40 123.9(14) . . ?
C145 C13 H13A 106.4 . . ?
C145 C13 H13B 106.4 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C135 C113 H11A 109.5 . . ?
C135 C113 H11B 109.5 . . ?
C135 C113 H11C 109.5 . . ?
C193 C73 H73A 108.8 . . ?
C193 C73 H73B 110.2 . . ?
C193 C73 H73C 109.3 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C13 C145 H14A 108.5 . . ?
C13 C145 H14B 118.0 . . ?
C13 C145 H14C 101.6 . . ?
H14A C145 H14B 109.5 . . ?
H14A C145 H14C 109.4 . . ?
H14B C145 H14C 109.5 . . ?
P18 C135 H13C 110.8 . . ?
P18 C135 H13D 110.8 . . ?
C113 C135 P18 104.9(10) . . ?
C113 C135 H13C 110.8 . . ?
C113 C135 H13D 110.8 . . ?
H13C C135 H13D 108.8 . . ?
C284 C31 H41 109.5 . . ?
C284 C31 H42 109.5 . . ?
C284 C31 H43 109.5 . . ?
H41 C31 H42 109.5 . . ?
H41 C31 H43 109.5 . . ?
H42 C31 H43 109.5 . . ?
P26 C133 H13E 110.1 . . ?
P26 C133 H13F 110.1 . . ?
H13E C133 H13F 108.4 . . ?
C33 C133 P26 108.2(6) . . ?
C33 C133 H13E 110.1 . . ?
C33 C133 H13F 110.1 . . ?
C289 C143 C212 118.5(10) . . ?
C289 C143 C137 120.0 . . ?
C137 C143 C212 120.4(10) . . ?
C143 C289 H44 120.0 . . ?
C263 C289 C143 120.0 . . ?
C263 C289 H44 120.0 . . ?
C289 C263 H45 120.0 . . ?
C289 C263 C2 120.0 . . ?
C2 C263 H45 120.0 . . ?
C263 C2 H46 120.0 . . ?
C139 C2 C263 120.0 . . ?
C139 C2 H46 120.0 . . ?
C2 C139 H47 120.0 . . ?
C2 C139 C137 120.0 . . ?
C137 C139 H47 120.0 . . ?
C143 C137 H48 120.0 . . ?
C139 C137 C143 120.0 . . ?
C139 C137 H48 120.0 . . ?
C277 C127 C192 120.4(8) . . ?
C277 C127 C363 120.0 . . ?
C363 C127 C192 118.6(9) . . ?
C127 C277 H49 120.0 . . ?
C127 C277 C267 120.0 . . ?
C267 C277 H49 120.0 . . ?
C277 C267 H50 120.0 . . ?
N129 C267 C277 120.0 . . ?
N129 C267 H50 120.0 . . ?
C267 N129 Pt36 123.0(6) . . ?
C267 N129 C253 120.0 . . ?
C253 N129 Pt36 114.4(6) . . ?
N129 C253 H51 120.0 . . ?
N129 C253 C363 120.0 . . ?
C363 C253 H51 120.0 . . ?
C127 C363 H52 120.0 . . ?
C253 C363 C127 120.0 . . ?
C253 C363 H52 120.0 . . ?
C186 C29 C125 113.5(7) . . ?
C79 C29 C186 127.0(10) . . ?
C79 C29 C125 104.6(9) . . ?
C119 C125 C29 118.35(17) . . ?
C119 C125 C65 120.0 . . ?
C65 C125 C29 118.35(17) . . ?
C125 C119 H53 120.0 . . ?
C125 C119 C257 120.0 . . ?
C257 C119 H53 120.0 . . ?
C119 C257 H54 120.0 . . ?
C141 C257 C119 120.0 . . ?
C141 C257 H54 120.0 . . ?
C257 C141 H55 120.0 . . ?
C115 C141 C257 120.0 . . ?
C115 C141 H55 120.0 . . ?
C141 C115 H56 120.0 . . ?
C141 C115 C65 120.0 . . ?
C65 C115 H56 120.0 . . ?
C125 C65 H57 120.0 . . ?
C115 C65 C125 120.0 . . ?
C115 C65 H57 120.0 . . ?
C95 C261 H58 94.9 . . ?
C95 C261 H59 118.9 . . ?
C95 C261 H60 113.6 . . ?
H58 C261 H59 109.4 . . ?
H58 C261 H60 109.5 . . ?
H59 C261 H60 109.3 . . ?
C133 C33 H33C 99.7 . . ?
C133 C33 H33D 135.3 . . ?
C133 C33 H33E 90.6 . . ?
H33C C33 H33D 109.5 . . ?
H33C C33 H33E 109.5 . . ?
H33D C33 H33E 109.6 . . ?
C340 C233 H23A 107.9 . . ?
C340 C233 H23B 101.1 . . ?
C340 C233 H23C 118.9 . . ?
H23A C233 H23B 109.5 . . ?
H23A C233 H23C 109.4 . . ?
H23B C233 H23C 109.5 . . ?
P14 C273 H61 96.2 . . ?
P14 C273 H63 96.2 . . ?
H61 C273 H63 103.4 . . ?
C239 C273 P14 159.8(19) . . ?
C239 C273 H61 96.2 . . ?
C239 C273 H63 96.2 . . ?
C273 C239 H64 109.5 . . ?
C273 C239 H65 109.5 . . ?
C273 C239 H66 109.5 . . ?
H64 C239 H65 109.5 . . ?
H64 C239 H66 109.5 . . ?
H65 C239 H66 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
Pt16 P8 C270 C217 46.3(11) . . . . ?
Pt16 P8 C319 C305 175.0(13) . . . . ?
Pt16 P8 C343 C7 -67.7(14) . . . . ?
Pt16 P14 C284 C31 -178.3(8) . . . . ?
Pt16 P14 C169 C352 66.4(16) . . . . ?
Pt16 P14 C273 C239 -53(3) . . . . ?
Pt16 O48 C130 O32 12(2) . . . . ?
Pt16 O48 C130 C100 -164.6(7) . . . . ?
Pt16 N22 C164 C118 157.3(5) . . . . ?
Pt16 N22 C70 C126 -157.7(5) . . . . ?
Pt44 P38 C280 C103 58.0(11) . . . . ?
Pt44 P38 C307 C215 179.8(11) . . . . ?
Pt44 P38 C331 C181 -67.1(12) . . . . ?
Pt44 P26 C321 C109 -177.9(15) . . . . ?
Pt44 P26 C213 C45 61.4(13) . . . . ?
Pt44 P26 C133 C33 -72.3(10) . . . . ?
Pt44 O20 C116 O132 12(2) . . . . ?
Pt44 O20 C116 C108 -164.3(7) . . . . ?
Pt44 N28 C96 C142 156.8(5) . . . . ?
Pt44 N28 C138 C158 -157.5(5) . . . . ?
Pt36 P12 C262 C167 64.0(18) . . . . ?
Pt36 P12 C337 C51 -70.9(18) . . . . ?
Pt36 P12 C43 C346 175.8(10) . . . . ?
Pt36 P24 C220 C111 36(2) . . . . ?
Pt36 P24 C313 C223 -60.6(15) . . . . ?
Pt36 P24 C95 C261 169.6(12) . . . . ?
Pt36 O42 C144 O30 -18(2) . . . . ?
Pt36 O42 C144 C10 160.7(9) . . . . ?
Pt36 N129 C253 C363 162.2(6) . . . . ?
Pt46 P40 C357 C99 67.4(13) . . . . ?
Pt46 P40 C177 C350 -173.0(11) . . . . ?
Pt46 P40 C13 C145 -53.0(17) . . . . ?
Pt46 P18 C340 C233 -161.4(19) . . . . ?
Pt46 P18 C193 C73 -64.1(13) . . . . ?
Pt46 P18 C135 C113 54.4(10) . . . . ?
Pt46 O50 C82 O52 -15(2) . . . . ?
Pt46 O50 C82 C176 161.4(9) . . . . ?
Pt46 N314 C240 C224 161.0(6) . . . . ?
N22 C164 C118 C88 0.0 . . . . ?
C164 N22 C70 C126 0.0 . . . . ?
C164 C118 C88 C126 0.0 . . . . ?
C164 C118 C88 C114 -167.2(8) . . . . ?
C118 C88 C126 C70 0.0 . . . . ?
C118 C88 C114 C68 -104.9(11) . . . . ?
C118 C88 C114 C152 77.3(12) . . . . ?
C88 C126 C70 N22 0.0 . . . . ?
C88 C114 C68 N180 175.6(12) . . . . ?
C88 C114 C68 C320 4(2) . . . . ?
C88 C114 C152 N178 -179.9(12) . . . . ?
C88 C114 C152 C66 3.5(19) . . . . ?
C126 C88 C114 C68 87.8(12) . . . . ?
C126 C88 C114 C152 -89.9(11) . . . . ?
C70 N22 C164 C118 0.0 . . . . ?
N28 C96 C142 C106 0.0 . . . . ?
C96 N28 C138 C158 0.0 . . . . ?
C96 C142 C106 C158 0.0 . . . . ?
C96 C142 C106 C166 -167.1(8) . . . . ?
C142 C106 C158 C138 0.0 . . . . ?
C142 C106 C166 C122 -102.1(12) . . . . ?
C142 C106 C166 C60 77.9(13) . . . . ?
C106 C158 C138 N28 0.0 . . . . ?
C106 C166 C122 N34 175.6(12) . . . . ?
C106 C166 C122 C226 -3(2) . . . . ?
C106 C166 C60 N110 -177.4(13) . . . . ?
C106 C166 C60 C222 1(2) . . . . ?
C158 C106 C166 C122 90.7(13) . . . . ?
C158 C106 C166 C60 -89.3(12) . . . . ?
C138 N28 C96 C142 0.0 . . . . ?
N34 C122 C226 C242 -1.3(18) . . . . ?
N34 C266 C242 C226 0.2(19) . . . . ?
C10 C124 C100 C4 0.0 . . . . ?
C10 C124 C100 C130 179.2(10) . . . . ?
C124 C10 C134 C120 0.0 . . . . ?
C124 C10 C144 O42 165.6(11) . . . . ?
C124 C10 C144 O30 -15.3(18) . . . . ?
C124 C100 C4 C120 0.0 . . . . ?
C124 C100 C130 O48 -162.1(9) . . . . ?
C124 C100 C130 O32 20.7(16) . . . . ?
C100 C4 C120 C134 0.0 . . . . ?
C100 C4 C120 C182 -171.7(10) . . . . ?
C4 C100 C130 O48 17.2(14) . . . . ?
C4 C100 C130 O32 -160.1(11) . . . . ?
C4 C120 C134 C10 0.0 . . . . ?
C4 C120 C182 C198 -32.0(19) . . . . ?
C4 C120 C182 C296 148.7(14) . . . . ?
C120 C182 C198 C296 -169.7(17) . . . 5_666 ?
C120 C182 C296 C198 170.3(15) . . . 5_666 ?
C134 C10 C124 C100 0.0 . . . . ?
C134 C10 C144 O42 -15.1(18) . . . . ?
C134 C10 C144 O30 164.0(12) . . . . ?
C134 C120 C182 C198 156.6(14) . . . . ?
C134 C120 C182 C296 -23(2) . . . . ?
N1 C150 C80 C78 -1(3) . . . . ?
N1 C150 C80 C232 -177.1(14) . . . . ?
N1 C150 C244 C206 0(2) . . . . ?
N1 C323 C297 C302 -18(3) . . . . ?
N1 C323 C297 C173 175.9(16) . . . . ?
N178 C170 C74 C66 -0.1(16) . . . . ?
N178 C170 C192 C140 0(2) . . . . ?
N178 C170 C192 C127 176.0(13) . . . . ?
N178 C152 C66 C74 -2.0(16) . . . . ?
N180 C68 C320 C303 0.7(15) . . . . ?
N180 C204 C212 C322 -5(2) . . . . ?
N180 C204 C212 C143 -167.6(14) . . . . ?
N180 C204 C303 C320 3.8(17) . . . . ?
C144 C10 C124 C100 179.3(11) . . . . ?
C144 C10 C134 C120 -179.3(11) . . . . ?
C92 C108 C62 C176 0.0 . . . . ?
C92 C108 C116 O20 16.4(15) . . . . ?
C92 C108 C116 O132 -160.4(10) . . . . ?
C92 C136 C72 C268 -32.9(18) . . . . ?
C92 C136 C72 C308 144.4(12) . . . 7 ?
C108 C92 C136 C146 0.0 . . . . ?
C108 C92 C136 C72 -174.3(10) . . . . ?
C108 C62 C176 C146 0.0 . . . . ?
C108 C62 C176 C82 178.9(11) . . . . ?
C62 C108 C116 O20 -161.6(9) . . . . ?
C62 C108 C116 O132 21.6(17) . . . . ?
C62 C176 C146 C136 0.0 . . . . ?
C62 C176 C82 O50 166.8(11) . . . . ?
C62 C176 C82 O52 -16.4(18) . . . . ?
C176 C146 C136 C92 0.0 . . . . ?
C176 C146 C136 C72 174.0(11) . . . . ?
C146 C176 C82 O50 -14.3(17) . . . . ?
C146 C176 C82 O52 162.5(11) . . . . ?
C146 C136 C72 C268 153.0(13) . . . . ?
C146 C136 C72 C308 -29.7(17) . . . 7 ?
C136 C92 C108 C62 0.0 . . . . ?
C136 C92 C108 C116 -178.0(10) . . . . ?
C136 C72 C268 C308 -177.7(14) . . . . ?
C130 C100 C4 C120 -179.3(10) . . . . ?
C114 C88 C126 C70 167.2(8) . . . . ?
C114 C68 C320 C303 173.3(13) . . . . ?
C114 C152 C66 C74 175.2(13) . . . . ?
C166 C106 C158 C138 167.2(7) . . . . ?
C166 C122 C226 C242 177.7(15) . . . . ?
C166 C60 C222 C160 178.2(14) . . . . ?
C122 N34 C266 C208 177.2(15) . . . . ?
C122 N34 C266 C242 -1.0(18) . . . . ?
C122 C166 C60 N110 3(3) . . . . ?
C122 C166 C60 C222 -178.9(15) . . . . ?
C122 C226 C242 C266 0.6(19) . . . . ?
C116 C108 C62 C176 177.9(10) . . . . ?
C170 N178 C152 C114 -175.2(13) . . . . ?
C170 N178 C152 C66 1.9(16) . . . . ?
C170 C192 C127 C277 -71.5(14) . . . . ?
C170 C192 C127 C363 96.7(12) . . . . ?
N110 C60 C222 C160 -3.1(18) . . . . ?
N110 C78 C80 C150 2(3) . . . . ?
N110 C78 C80 C232 177.8(14) . . . . ?
N112 C140 C192 C170 -1(2) . . . . ?
N112 C140 C192 C127 -177.2(13) . . . . ?
N112 C140 C317 C83 3.1(18) . . . . ?
N112 C79 C83 C317 -0.4(17) . . . . ?
N112 C79 C29 C186 13(2) . . . . ?
N112 C79 C29 C125 148.5(12) . . . . ?
C68 N180 C204 C212 -179.7(13) . . . . ?
C68 N180 C204 C303 -3.4(17) . . . . ?
C68 C114 C152 N178 2(2) . . . . ?
C68 C114 C152 C66 -174.2(13) . . . . ?
C68 C320 C303 C204 -2.7(15) . . . . ?
C182 C120 C134 C10 171.2(11) . . . . ?
C152 N178 C170 C74 -1.1(16) . . . . ?
C152 N178 C170 C192 179.8(13) . . . . ?
C152 C114 C68 N180 -7(2) . . . . ?
C152 C114 C68 C320 -178.2(13) . . . . ?
C152 C66 C74 C170 1.2(15) . . . . ?
C140 N112 C79 C83 2.1(17) . . . . ?
C140 N112 C79 C29 173.0(13) . . . . ?
C140 C192 C127 C277 105.2(11) . . . . ?
C140 C192 C127 C363 -86.7(12) . . . . ?
C150 N1 C323 C206 -3(2) . . . . ?
C150 N1 C323 C297 -169.9(17) . . . . ?
C150 C80 C232 C294 107.4(13) . . . . ?
C150 C80 C232 C224 -84.4(14) . . . . ?
C150 C244 C206 C323 -1(2) . . . . ?
N154 C230 C196 C316 -2(2) . . . . ?
N154 C302 C316 C196 -7(2) . . . . ?
N154 C302 C297 C173 176.8(17) . . . . ?
N154 C302 C297 C323 13(4) . . . . ?
C160 C78 C80 C150 178.5(16) . . . . ?
C160 C78 C80 C232 -6(2) . . . . ?
C60 C166 C122 N34 -4(2) . . . . ?
C60 C166 C122 C226 176.7(15) . . . . ?
C60 N110 C78 C160 -0.2(18) . . . . ?
C60 N110 C78 C80 176.7(15) . . . . ?
C72 C268 C308 C72 -5(3) . . . 7 ?
C74 C170 C192 C140 -179.0(14) . . . . ?
C74 C170 C192 C127 -3(2) . . . . ?
C78 N110 C60 C166 -179.3(15) . . . . ?
C78 N110 C60 C222 2.0(17) . . . . ?
C78 C160 C222 C60 2.9(17) . . . . ?
C78 C80 C232 C294 -69.0(14) . . . . ?
C78 C80 C232 C224 99.3(13) . . . . ?
C82 C176 C146 C136 -178.9(11) . . . . ?
C80 C150 C244 C206 -177.5(17) . . . . ?
C80 C232 C294 C228 168.0(9) . . . . ?
C80 C232 C224 C240 -168.5(8) . . . . ?
N188 C186 C190 C324 -1.9(16) . . . . ?
N188 C186 C29 C79 -12(2) . . . . ?
N188 C186 C29 C125 -144.5(12) . . . . ?
N188 C322 C212 C204 11(2) . . . . ?
N188 C322 C212 C143 175.7(14) . . . . ?
C186 N188 C322 C324 -0.8(18) . . . . ?
C186 N188 C322 C212 176.2(12) . . . . ?
C186 C190 C324 C322 1.4(15) . . . . ?
C186 C29 C125 C119 68.6(13) . . . . ?
C186 C29 C125 C65 -131.9(6) . . . . ?
C190 C186 C29 C79 163.3(14) . . . . ?
C190 C186 C29 C125 31.0(15) . . . . ?
C190 C324 C322 N188 -0.4(17) . . . . ?
C190 C324 C322 C212 -177.0(15) . . . . ?
C324 C322 C212 C204 -172.5(15) . . . . ?
C324 C322 C212 C143 -8.0(19) . . . . ?
C322 N188 C186 C190 1.8(18) . . . . ?
C322 N188 C186 C29 177.7(12) . . . . ?
C322 C212 C143 C289 92.2(12) . . . . ?
C322 C212 C143 C137 -100.1(12) . . . . ?
C208 C266 C242 C226 -177.8(17) . . . . ?
C208 C230 C196 C316 173.5(19) . . . . ?
C208 C250 C252 C194 178.0(11) . . . . ?
C208 C250 C306 C254 -177.9(12) . . . . ?
C232 C294 C228 N314 0.0 . . . . ?
C294 C232 C224 C240 0.0 . . . . ?
C294 C228 N314 Pt46 -160.1(6) . . . . ?
C294 C228 N314 C240 0.0 . . . . ?
C228 N314 C240 C224 0.0 . . . . ?
N314 C240 C224 C232 0.0 . . . . ?
C224 C232 C294 C228 0.0 . . . . ?
C198 C182 C296 C198 -9(3) . . . 5_666 ?
C222 C160 C78 N110 -1.7(18) . . . . ?
C222 C160 C78 C80 -178.6(16) . . . . ?
C266 N34 C122 C166 -177.6(15) . . . . ?
C266 N34 C122 C226 1.4(18) . . . . ?
C266 C208 C230 N154 1(3) . . . . ?
C266 C208 C230 C196 -174.5(18) . . . . ?
C266 C208 C250 C252 -99.4(15) . . . . ?
C266 C208 C250 C306 78.6(16) . . . . ?
C192 C170 C74 C66 179.0(13) . . . . ?
C192 C140 C317 C83 -176.0(14) . . . . ?
C192 C127 C277 C267 168.0(9) . . . . ?
C192 C127 C363 C253 -168.2(9) . . . . ?
C230 N154 C302 C316 6(2) . . . . ?
C230 N154 C302 C297 173(2) . . . . ?
C230 C208 C266 N34 6(3) . . . . ?
C230 C208 C266 C242 -176(2) . . . . ?
C230 C208 C250 C252 89.4(16) . . . . ?
C230 C208 C250 C306 -92.6(16) . . . . ?
C230 C196 C316 C302 6(2) . . . . ?
C244 C150 C80 C78 175.4(17) . . . . ?
C244 C150 C80 C232 0(2) . . . . ?
C244 C206 C323 N1 2(2) . . . . ?
C244 C206 C323 C297 168(2) . . . . ?
C296 C182 C198 C296 10(3) . . . 5_666 ?
C250 C208 C266 N34 -163.3(15) . . . . ?
C250 C208 C266 C242 15(3) . . . . ?
C250 C208 C230 N154 170.3(17) . . . . ?
C250 C208 C230 C196 -5(3) . . . . ?
C250 C252 C194 C274 0.0 . . . . ?
C252 C250 C306 C254 0.0 . . . . ?
C252 C194 C274 C254 0.0 . . . . ?
C194 C274 C254 C306 0.0 . . . . ?
C274 C254 C306 C250 0.0 . . . . ?
C306 C250 C252 C194 0.0 . . . . ?
C262 P12 C337 C51 171.9(17) . . . . ?
C262 P12 C43 C346 -58.6(14) . . . . ?
C302 N154 C230 C208 -177.9(18) . . . . ?
C302 N154 C230 C196 -2(2) . . . . ?
C270 P8 C319 C305 -56.3(16) . . . . ?
C270 P8 C343 C7 166.4(13) . . . . ?
C280 P38 C307 C215 -53.6(14) . . . . ?
C280 P38 C331 C181 169.7(12) . . . . ?
C284 P14 C169 C352 -50.7(17) . . . . ?
C284 P14 C273 C239 61(3) . . . . ?
C308 C72 C268 C308 5(3) 7 . . . ?
C316 C302 C297 C173 -18(3) . . . . ?
C316 C302 C297 C323 178(2) . . . . ?
C204 N180 C68 C114 -170.8(13) . . . . ?
C204 N180 C68 C320 1.7(17) . . . . ?
C204 C212 C143 C289 -101.4(13) . . . . ?
C204 C212 C143 C137 66.2(16) . . . . ?
C206 C323 C297 C302 178(2) . . . . ?
C206 C323 C297 C173 12(3) . . . . ?
C212 C204 C303 C320 -179.9(13) . . . . ?
C212 C143 C289 C263 167.7(12) . . . . ?
C212 C143 C137 C139 -167.5(13) . . . . ?
C220 P24 C313 C223 163.7(15) . . . . ?
C220 P24 C95 C261 -61.2(14) . . . . ?
C173 C157 C21 C335 0.0 . . . . ?
C157 C173 C77 C301 0.0 . . . . ?
C157 C173 C297 C302 122.1(18) . . . . ?
C157 C173 C297 C323 -70.5(17) . . . . ?
C157 C21 C335 C301 0.0 . . . . ?
C21 C335 C301 C77 0.0 . . . . ?
C335 C301 C77 C173 0.0 . . . . ?
C77 C173 C157 C21 0.0 . . . . ?
C77 C173 C297 C302 -48(2) . . . . ?
C77 C173 C297 C323 119.1(14) . . . . ?
C323 N1 C150 C80 179.0(16) . . . . ?
C323 N1 C150 C244 2(2) . . . . ?
C79 N112 C140 C192 176.0(13) . . . . ?
C79 N112 C140 C317 -3.1(17) . . . . ?
C79 C83 C317 C140 -1.6(17) . . . . ?
C79 C29 C125 C119 -73.8(10) . . . . ?
C79 C29 C125 C65 85.8(8) . . . . ?
C307 P38 C280 C103 -65.9(11) . . . . ?
C307 P38 C331 C181 58.9(14) . . . . ?
C321 P26 C213 C45 -62.6(14) . . . . ?
C321 P26 C133 C33 47.8(10) . . . . ?
C319 P8 C270 C217 -79.1(10) . . . . ?
C319 P8 C343 C7 57.1(15) . . . . ?
C313 P24 C220 C111 170(2) . . . . ?
C313 P24 C95 C261 51.4(14) . . . . ?
C297 C302 C316 C196 -174(2) . . . . ?
C297 C173 C157 C21 -170.4(11) . . . . ?
C297 C173 C77 C301 170.3(12) . . . . ?
C357 P40 C177 C350 -43.3(17) . . . . ?
C357 P40 C13 C145 -170.7(15) . . . . ?
C337 P12 C262 C167 -177.2(18) . . . . ?
C337 P12 C43 C346 43.6(15) . . . . ?
C303 C204 C212 C322 178.9(15) . . . . ?
C303 C204 C212 C143 17(2) . . . . ?
C83 C79 C29 C186 -177.7(13) . . . . ?
C83 C79 C29 C125 -42.2(18) . . . . ?
C43 P12 C262 C167 -69.6(18) . . . . ?
C43 P12 C337 C51 67.0(19) . . . . ?
C317 C140 C192 C170 178.0(15) . . . . ?
C317 C140 C192 C127 2(2) . . . . ?
C169 P14 C284 C31 -61.8(12) . . . . ?
C169 P14 C273 C239 -175(3) . . . . ?
C343 P8 C270 C217 170.0(9) . . . . ?
C343 P8 C319 C305 48.7(16) . . . . ?
C331 P38 C280 C103 -178.7(10) . . . . ?
C331 P38 C307 C215 51.2(15) . . . . ?
C177 P40 C357 C99 -67.7(14) . . . . ?
C177 P40 C13 C145 83.0(16) . . . . ?
C213 P26 C321 C109 -55.3(19) . . . . ?
C213 P26 C133 C33 158.6(9) . . . . ?
C340 P18 C193 C73 55.5(14) . . . . ?
C340 P18 C135 C113 -71.3(13) . . . . ?
C95 P24 C220 C111 -91(2) . . . . ?
C95 P24 C313 C223 56.8(16) . . . . ?
C193 P18 C340 C233 75(2) . . . . ?
C193 P18 C135 C113 -177.7(10) . . . . ?
C13 P40 C357 C99 -174.6(12) . . . . ?
C13 P40 C177 C350 56.0(17) . . . . ?
C135 P18 C340 C233 -32(2) . . . . ?
C135 P18 C193 C73 168.0(12) . . . . ?
C133 P26 C321 C109 52.3(18) . . . . ?
C133 P26 C213 C45 -161.3(12) . . . . ?
C143 C289 C263 C2 0.0 . . . . ?
C289 C143 C137 C139 0.0 . . . . ?
C289 C263 C2 C139 0.0 . . . . ?
C263 C2 C139 C137 0.0 . . . . ?
C2 C139 C137 C143 0.0 . . . . ?
C137 C143 C289 C263 0.0 . . . . ?
C127 C277 C267 N129 0.0 . . . . ?
C277 C127 C363 C253 0.0 . . . . ?
C277 C267 N129 Pt36 -160.7(7) . . . . ?
C277 C267 N129 C253 0.0 . . . . ?
C267 N129 C253 C363 0.0 . . . . ?
N129 C253 C363 C127 0.0 . . . . ?
C363 C127 C277 C267 0.0 . . . . ?
C29 C186 C190 C324 -178.0(11) . . . . ?
C29 C79 C83 C317 -170.7(15) . . . . ?
C29 C125 C119 C257 159.2(10) . . . . ?
C29 C125 C65 C115 -159.2(10) . . . . ?
C125 C119 C257 C141 0.0 . . . . ?
C119 C125 C65 C115 0.0 . . . . ?
C119 C257 C141 C115 0.0 . . . . ?
C257 C141 C115 C65 0.0 . . . . ?
C141 C115 C65 C125 0.0 . . . . ?
C65 C125 C119 C257 0.0 . . . . ?
C273 P14 C284 C31 67.7(12) . . . . ?
C273 P14 C169 C352 -169.9(13) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 4190 electrons were 
found in a volume of 17368Å³ in 4 voids per unit cell. 
This is consistent with the presence of 
13[C2H3N], 5[C6H14O], per Asymmetric Unit 
which account for 4608 electrons 
per unit cell.
;
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 0.057 0.418 0.128 17132 4206 '104 C2H3N,40 C6H14O'
2 0.353 0.236 0.056 21 -1 ' '
3 0.853 0.736 0.056 21 -1 ' '
4 0.343 0.178 0.115 9 -1 ' '
5 0.843 0.678 0.115 9 -1 ' '
6 0.157 0.678 0.385 9 -1 ' '
7 0.657 0.178 0.385 9 -1 ' '
8 0.147 0.736 0.444 20 -1 ' '
9 0.647 0.236 0.444 20 -1 ' '
10 0.353 0.764 0.556 21 -1 ' '
11 0.853 0.264 0.556 21 -1 ' '
12 0.343 0.822 0.615 9 -1 ' '
13 0.843 0.322 0.615 9 -1 ' '
14 0.157 0.322 0.885 9 -1 ' '
15 0.657 0.822 0.885 9 -1 ' '
16 0.147 0.264 0.944 20 -1 ' '
17 0.647 0.764 0.944 20 -1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_539
_database_code_depnum_ccdc_archive 'CCDC 2182305'
loop_
_audit_author_name
_audit_author_address
'Ying Cheng'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2022-10-09 deposited with the CCDC.	2022-10-11 downloaded from the CCDC.
;
_audit_creation_date             2022-10-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C148 H178 N12 O8 P8 Pt4, 16[C2H3N], 5[C6H14O]'
_chemical_formula_sum            'C210 H296 N28 O13 P8 Pt4'
_chemical_formula_weight         4448.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   31.577(4)
_cell_length_b                   32.060(4)
_cell_length_c                   39.781(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.216(7)
_cell_angle_gamma                90
_cell_volume                     40210(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      51.18
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.760
_shelx_estimated_absorpt_T_min   0.704
_exptl_absorpt_coefficient_mu    2.906
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1304 before and 0.0920 after correction.
The Ratio of minimum to maximum transmission is 0.6495.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             18304
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0601
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            34193
_diffrn_reflns_point_group_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         0.906
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20690
_reflns_number_total             34193
_reflns_special_details          
;
 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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/1 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.344
_refine_diff_density_min         -2.343
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1520
_refine_ls_number_reflns         34193
_refine_ls_number_restraints     1832
_refine_ls_R_factor_all          0.1491
_refine_ls_R_factor_gt           0.1157
_refine_ls_restrained_S_all      1.193
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1200P)²+300.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3025
_refine_ls_wR_factor_ref         0.3238
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.54(3)
 0.46(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C358-C167
 1.52 with sigma of 0.02
 C239-C237
 1.45 with sigma of 0.02
 C147-C141
 1.45 with sigma of 0.02
 C337-C129
 1.45 with sigma of 0.02
 C352-C310
 1.45 with sigma of 0.02
 C41-C261
 1.45 with sigma of 0.02
 C89-C177
 1.45 with sigma of 0.02
 C37-C331
 1.45 with sigma of 0.02
 C49-C270
 1.5 with sigma of 0.02
 C144-C201
 1.5 with sigma of 0.02
 H17B-H81C
 2.1 with sigma of 0.02
 H34D-H89B
 2.1 with sigma of 0.02
 C261-C41
 1.48 with sigma of 0.02
 P94-C261
 1.93 with sigma of 0.02
 C41-C141
 4.1 with sigma of 0.02
 H25C-H41A
 2.1 with sigma of 0.02
 H13A-H41B
 2.1 with sigma of 0.02
 H25B-H41A
 2.1 with sigma of 0.02
 C174-C146
 1.47 with sigma of 0.01
 P94-C41
 3.208 with sigma of 0.04
 C9-C198 \\sim C308-C222 \\sim C84-C16 \\sim C8-C238 \\sim C46-C38 \\sim
C160-C154 \\sim C49-C270 ~
 C185-C180
 with sigma of 0.02
 C270-C132 \\sim C348-C270 \\sim C308-C194 \\sim C346-C308 \\sim C226-C198
\\sim C198-C168 \\sim C180-
 C121 \\sim C280-C180 \\sim C8-C224 \\sim C8-C108 \\sim C84-C70 \\sim C84-C26
\\sim C160-C14 \\sim C160-
 C156 \\sim C38-C164 \\sim C38-C146
 with sigma of 0.02
 C324-C274 \\sim C274-C194 \\sim C348-C324 \\sim C252-C132 \\sim C252-C248
\\sim C280-C248 \\sim C296-
 C121 \\sim C3-C296 \\sim C3-C168 \\sim C346-C128 \\sim C136-C128 \\sim
C226-C136 \\sim C250-C224 ~
 C250-C174 \\sim C174-C146 \\sim C290-C164 \\sim C290-C216 \\sim C216-C156
\\sim C192-C14 \\sim C192-C1
 \\sim C26-C1 \\sim C70-C178 \\sim C300-C178 \\sim C300-C108
 with sigma of 0.02
 C287-C269 \\sim C69-C255 \\sim C41-C261 \\sim C35-C135 \\sim C239-C237 \\sim
C147-C141 \\sim C337-
 C129 \\sim C345-C301 \\sim C21-C159 \\sim C89-C177 \\sim C81-C77 \\sim
C37-C331 \\sim C361-C342 \\sim C27-
 C123 \\sim C282-C264 \\sim C95-C212 \\sim C328-C243 \\sim C352-C310 \\sim
C330-C241 \\sim C349-C173 ~
 C358-C167 \\sim C79-C175 \\sim C356-C219 \\sim C231-C199
 with sigma of 0.02
4. Rigid bond restraints
 C261, C41
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C141, C147
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within -2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within -2A
6.a Riding coordinates:
 C231(H23A,H23B,H23C), C358(H35F,H35G,H35H), C147(H14C,H14D,H14E), C237(H23F,
 H23G,H23H), C159(H15A,H15B,H15C), C337(H33F,H33G,H33H)
6.b Secondary CH2 refined with riding coordinates:
 C212(H21A,H21B), C264(H26A,H26B), C310(H31A,H31B), C328(H32A,H32B), C330(H33A,
 H33B), C342(H34A,H34B), C356(H35A,H35B), C27(H27A,H27B), C199(H19A,H19B),
 C135(H13A,H13B), C141(H14A,H14B), C261(H26C,H26D), C129(H12A,H12B), C69(H69A,
 H69B), C287(H28D,H28E), C239(H23D,H23E), C77(H77A,H77B), C37(H37A,H37B),
 C21(H21F,H21G), C345(H34C,H34D), C177(H17A,H17B), C167(H16A,H16B), C173(H17C,
 H17D), C79(H79A,H79B)
6.c Aromatic/amide H refined with riding coordinates:
 C240(H240), C104(H104), C204(H204), C210(H210), C1(H1), C234(H234),
 C130(H130), C286(H286), C334(H334), C120(H120), C20(H20), C48(H48), C116(H116),
  C122(H122), C268(H268), C306(H306), C318(H318), C228(H228), C74(H74),
 C78(H78), C200(H200), C216(H216), C174(H174), C124(H124), C56(H56), C202(H202),
  C192(H192), C136(H136), C128(H128), C178(H178), C152(H152), C162(H162),
 C184(H184), C260(H260), C254(H254), C290(H290), C252(H252), C324(H324),
 C300(H300), C274(H274), C250(H250), C248(H248), C296(H296), C189(H189),
 C217(H217), C205(H205), C109(H109), C53(H53), C3(H3), C227(H227), C7(H7),
 C51(H51), C115(H115), C207(H207), C245(H245), C63(H63), C265(H265), C259(H259)
6.d Fitted hexagon refined as free rotating group:
 N86(C240,C104,C16,C204,C210), N36(C234,C130,C238,C286,C334), C46(C120,C20,C48,
 C116,C122), N76(C268,C306,C222,C318,C228), C148(C74,C232,C78,C230,C200),
 C220(C124,C144,C56,C42,C202), C154(C152,C162,C184,C260,C254), C49(C189,C217,
 C205,C109,C53), C185(C227,C7,C51,C115,C207), N61(C245,C63,C9,C265,C259)
6.e Idealised Me refined as rotating group:
 C282(H28A,H28B,H28C), C361(H36A,H36B,H36C), C219(H21C,H21D,H21E), C95(H95A,
 H95B,H95C), C352(H35C,H35D,H35E), C243(H24A,H24B,H24C), C241(H24D,H24E,H24F),
 C123(H12C,H12D,H12E), C255(H25A,H25B,H25C), C269(H26E,H26F,H26G), C35(H35I,
 H35J,H35K), C41(H41A,H41B,H41C), C331(H33C,H33D,H33E), C81(H81A,H81B,H81C),
 C301(H30A,H30B,H30C), C349(H34E,H34F,H34G), C175(H17E,H17F,H17G), C89(H89A,
 H89B,H89C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Pt32 Pt 0.36942(2) 0.36293(2) 0.26953(2) 0.0815(2) Uani 1 1 d . . . A 1
Pt58 Pt 0.58485(2) 0.24273(3) 0.55141(2) 0.1155(3) Uani 1 1 d . . . B 1
Pt28 Pt 0.63143(3) 0.52091(3) 0.48345(2) 0.1081(3) Uani 1 1 d . . . C 1
Pt90 Pt 0.52562(4) 0.13963(3) 0.36844(2) 0.1339(4) Uani 1 1 d . . . D 1
P24 P 0.40420(11) 0.37686(15) 0.22279(8) 0.0798(10) Uani 1 1 d . U . . .
P66 P 0.30301(12) 0.36852(16) 0.24811(8) 0.0880(12) Uani 1 1 d . U . . .
P30 P 0.68428(16) 0.56717(17) 0.48507(13) 0.1072(14) Uani 1 1 d . U . . .
P92 P 0.58632(16) 0.5588(2) 0.51472(13) 0.1147(16) Uani 1 1 d . U . . .
P94 P 0.65583(14) 0.2483(3) 0.55005(14) 0.146(2) Uani 1 1 d D U . . .
P52 P 0.58409(17) 0.2023(3) 0.59737(14) 0.145(2) Uani 1 1 d . U . . .
P60 P 0.4573(3) 0.1256(2) 0.3748(2) 0.159(2) Uani 1 1 d . U . . .
P88 P 0.5461(3) 0.0742(2) 0.3620(2) 0.165(3) Uani 1 1 d . U . . .
O82 O 0.4350(3) 0.4003(3) 0.3255(2) 0.083(3) Uani 1 1 d . U . . .
O106 O 0.4273(3) 0.3449(3) 0.29115(19) 0.070(2) Uani 1 1 d . U . . .
O96 O 0.5765(3) 0.2807(4) 0.5081(2) 0.089(3) Uani 1 1 d . U . . .
N68 N 0.3400(3) 0.2927(4) 0.4724(2) 0.067(2) Uani 1 1 d . U . . .
N86 N 0.3499(2) 0.3490(3) 0.31716(13) 0.072(2) Uani 1 1 d G U . . .
C240 C 0.3396(3) 0.3807(2) 0.33913(18) 0.075(3) Uani 1 1 d G U . A .
H240 H 0.3400 0.4089 0.3320 0.090 Uiso 1 1 calc R U . . .
C104 C 0.3287(3) 0.3710(2) 0.37158(16) 0.074(3) Uani 1 1 d G U . A .
H104 H 0.3216 0.3927 0.3866 0.089 Uiso 1 1 calc R U . . .
C16 C 0.3280(3) 0.3297(3) 0.38207(13) 0.069(2) Uani 1 1 d DG U . A .
C204 C 0.3383(3) 0.2980(2) 0.36010(18) 0.075(3) Uani 1 1 d G U . A .
H204 H 0.3379 0.2697 0.3673 0.090 Uiso 1 1 calc R U . . .
C210 C 0.3492(3) 0.3077(2) 0.32765(16) 0.074(3) Uani 1 1 d G U . A .
H210 H 0.3563 0.2860 0.3126 0.089 Uiso 1 1 calc R U . . .
N40 N 0.2325(3) 0.3084(4) 0.5228(2) 0.074(2) Uani 1 1 d . U . . .
N98 N 0.3183(3) 0.2780(4) 0.5418(2) 0.078(3) Uani 1 1 d . U . . .
N100 N 0.2538(3) 0.3226(4) 0.4542(2) 0.072(2) Uani 1 1 d . U . . .
O12 O 0.5663(4) 0.4800(4) 0.4290(3) 0.111(3) Uani 1 1 d . U . . .
C84 C 0.3153(3) 0.3213(4) 0.4174(2) 0.066(2) Uani 1 1 d D U . . .
C1 C 0.2434(3) 0.3522(4) 0.4025(3) 0.073(3) Uani 1 1 d D U . . .
H1 H 0.2465 0.3605 0.3798 0.087 Uiso 1 1 calc R U . . .
C70 C 0.3456(3) 0.3024(4) 0.4393(3) 0.067(2) Uani 1 1 d D U . . .
O64 O 0.5906(4) 0.4727(3) 0.4827(2) 0.099(3) Uani 1 1 d . U . . .
O22 O 0.5790(4) 0.3375(4) 0.5407(3) 0.118(4) Uani 1 1 d . U . . .
C108 C 0.3786(4) 0.2800(5) 0.4854(3) 0.075(3) Uani 1 1 d D U . . .
O34 O 0.5093(4) 0.2144(4) 0.3196(3) 0.104(3) Uani 1 1 d . U . . .
C118 C 0.5732(4) 0.3206(6) 0.5127(4) 0.086(3) Uani 1 1 d . U . . .
O10 O 0.5140(4) 0.2037(5) 0.3757(3) 0.123(3) Uani 1 1 d . U . . .
N54 N 0.7815(5) 0.3803(4) 0.3538(3) 0.098(3) Uani 1 1 d . U . . .
N36 N 0.5188(2) 0.2452(3) 0.5468(2) 0.099(3) Uani 1 1 d G U . . .
C234 C 0.4999(3) 0.2816(3) 0.5577(2) 0.096(3) Uani 1 1 d G U . B .
H234 H 0.5159 0.3009 0.5713 0.115 Uiso 1 1 calc R U . . .
C130 C 0.4576(3) 0.2897(3) 0.5486(2) 0.091(3) Uani 1 1 d G U . B .
H130 H 0.4447 0.3146 0.5560 0.110 Uiso 1 1 calc R U . . .
C238 C 0.43412(19) 0.2615(3) 0.5286(2) 0.085(3) Uani 1 1 d DG U . B .
C286 C 0.4530(3) 0.2251(3) 0.5178(2) 0.093(3) Uani 1 1 d G U . B .
H286 H 0.4370 0.2058 0.5041 0.112 Uiso 1 1 calc R U . . .
C334 C 0.4953(3) 0.2169(3) 0.5269(2) 0.099(3) Uani 1 1 d G U . B .
H334 H 0.5082 0.1921 0.5195 0.118 Uiso 1 1 calc R U . . .
C8 C 0.3883(3) 0.2698(5) 0.5192(2) 0.081(3) Uani 1 1 d D U . . .
C14 C 0.2141(4) 0.3379(5) 0.4521(3) 0.076(3) Uani 1 1 d D U . . .
C38 C 0.2586(4) 0.2859(5) 0.5798(2) 0.083(3) Uani 1 1 d D U . . .
C26 C 0.2745(3) 0.3328(4) 0.4242(3) 0.070(2) Uani 1 1 d D U . . .
C4 C 0.4439(4) 0.3658(5) 0.3181(3) 0.072(3) Uani 1 1 d . U . . .
N44 N 0.7207(5) 0.3165(4) 0.3713(3) 0.093(3) Uani 1 1 d . U . . .
C46 C 0.2484(3) 0.2862(3) 0.61641(16) 0.092(3) Uani 1 1 d DG U . . .
C120 C 0.2301(4) 0.3214(3) 0.6300(2) 0.103(4) Uani 1 1 d G U . . .
H120 H 0.2238 0.3450 0.6162 0.123 Uiso 1 1 calc R U . . .
C20 C 0.2210(4) 0.3220(3) 0.6638(2) 0.114(4) Uani 1 1 d G U . . .
H20 H 0.2084 0.3460 0.6730 0.137 Uiso 1 1 calc R U . . .
C48 C 0.2302(4) 0.2874(4) 0.68396(16) 0.113(4) Uani 1 1 d G U . . .
H48 H 0.2239 0.2878 0.7070 0.136 Uiso 1 1 calc R U . . .
C116 C 0.2485(4) 0.2522(3) 0.6704(2) 0.106(4) Uani 1 1 d G U . . .
H116 H 0.2548 0.2286 0.6842 0.127 Uiso 1 1 calc R U . . .
C122 C 0.2577(3) 0.2517(3) 0.6366(2) 0.099(3) Uani 1 1 d G U . . .
H122 H 0.2702 0.2277 0.6273 0.118 Uiso 1 1 calc R U . . .
N76 N 0.6633(3) 0.4799(3) 0.4537(2) 0.098(3) Uani 1 1 d G U . . .
C268 C 0.6838(4) 0.4453(3) 0.46809(17) 0.102(4) Uani 1 1 d G U . C .
H268 H 0.6851 0.4417 0.4918 0.123 Uiso 1 1 calc R U . . .
C306 C 0.7025(4) 0.4161(3) 0.4478(2) 0.107(4) Uani 1 1 d G U . C .
H306 H 0.7165 0.3925 0.4576 0.128 Uiso 1 1 calc R U . . .
C222 C 0.7006(4) 0.4215(3) 0.4130(2) 0.098(3) Uani 1 1 d DG U . C .
C318 C 0.6801(4) 0.4560(3) 0.39864(16) 0.103(4) Uani 1 1 d G U . C .
H318 H 0.6789 0.4597 0.3749 0.124 Uiso 1 1 calc R U . . .
C228 C 0.6615(4) 0.4852(3) 0.4190(2) 0.103(4) Uani 1 1 d G U . C .
H228 H 0.6475 0.5088 0.4092 0.124 Uiso 1 1 calc R U . . .
C148 C 0.5359(3) 0.3515(3) 0.42429(15) 0.076(3) Uani 1 1 d G U . . .
C74 C 0.5445(3) 0.3940(3) 0.42533(16) 0.078(3) Uani 1 1 d G U . . .
H74 H 0.5387 0.4107 0.4059 0.094 Uiso 1 1 calc R U . . .
C232 C 0.5618(3) 0.4120(2) 0.4548(2) 0.082(3) Uani 1 1 d G U . . .
C78 C 0.5704(3) 0.3876(3) 0.48317(16) 0.077(3) Uani 1 1 d G U . . .
H78 H 0.5823 0.3999 0.5033 0.092 Uiso 1 1 calc R U . . .
C230 C 0.5618(3) 0.3451(3) 0.48214(16) 0.077(3) Uani 1 1 d G U . . .
C200 C 0.5445(3) 0.3270(2) 0.45269(19) 0.073(3) Uani 1 1 d G U . . .
H200 H 0.5386 0.2980 0.4520 0.088 Uiso 1 1 calc R U . . .
C216 C 0.1630(4) 0.3146(5) 0.5339(3) 0.085(3) Uani 1 1 d D U . . .
H216 H 0.1335 0.3195 0.5305 0.102 Uiso 1 1 calc R U . . .
C146 C 0.3012(3) 0.2794(5) 0.5727(3) 0.082(3) Uani 1 1 d D U . . .
C174 C 0.3352(4) 0.2701(5) 0.5978(3) 0.091(3) Uani 1 1 d D U . . .
H174 H 0.3331 0.2673 0.6215 0.109 Uiso 1 1 calc R U . . .
C224 C 0.3603(4) 0.2714(5) 0.5455(2) 0.083(3) Uani 1 1 d D U . . .
C212 C 0.2904(5) 0.3237(5) 0.2203(3) 0.096(3) Uani 1 1 d D U . . .
H21A H 0.2615 0.3272 0.2097 0.116 Uiso 1 1 calc R U . . .
H21B H 0.3106 0.3229 0.2021 0.116 Uiso 1 1 calc R U . . .
C164 C 0.2273(4) 0.2984(5) 0.5562(3) 0.081(3) Uani 1 1 d D U . . .
C220 C 0.5138(3) 0.3313(3) 0.39278(15) 0.073(3) Uani 1 1 d G U . . .
C124 C 0.5195(3) 0.2892(3) 0.38627(18) 0.075(3) Uani 1 1 d G U . . .
H124 H 0.5356 0.2723 0.4019 0.090 Uiso 1 1 calc R U . . .
C144 C 0.5015(3) 0.2716(2) 0.3568(2) 0.081(3) Uani 1 1 d DG U . . .
C56 C 0.4780(3) 0.2963(3) 0.33393(16) 0.074(3) Uani 1 1 d G U . . .
H56 H 0.4657 0.2843 0.3138 0.089 Uiso 1 1 calc R U . . .
C42 C 0.4724(2) 0.3385(2) 0.34045(16) 0.065(2) Uani 1 1 d G U . . .
C202 C 0.4903(3) 0.3560(2) 0.36988(18) 0.067(3) Uani 1 1 d G U . . .
H202 H 0.4864 0.3848 0.3743 0.081 Uiso 1 1 calc R U . . .
C156 C 0.1937(4) 0.3199(5) 0.5102(3) 0.078(3) Uani 1 1 d D U . . .
C194 C 0.7588(5) 0.4030(5) 0.3757(4) 0.099(3) Uani 1 1 d D U . . .
C226 C 0.6893(5) 0.2858(5) 0.3741(4) 0.099(3) Uani 1 1 d D U . . .
N126 N 0.8208(5) 0.3179(5) 0.3133(4) 0.108(3) Uani 1 1 d . U . . .
C160 C 0.1843(4) 0.3338(5) 0.4773(3) 0.085(3) Uani 1 1 d D U . . .
C198 C 0.6933(5) 0.2456(4) 0.3606(4) 0.105(3) Uani 1 1 d D U . . .
C168 C 0.7275(6) 0.2319(5) 0.3432(4) 0.110(3) Uani 1 1 d D U . . .
C180 C 0.8186(6) 0.2442(5) 0.2967(5) 0.127(4) Uani 1 1 d D U . . .
C192 C 0.2074(4) 0.3570(5) 0.4208(3) 0.080(3) Uani 1 1 d D U . . .
H192 H 0.1823 0.3711 0.4132 0.096 Uiso 1 1 calc R U . . .
C136 C 0.6546(5) 0.2996(5) 0.3907(4) 0.101(4) Uani 1 1 d D U . . .
H136 H 0.6293 0.2846 0.3944 0.121 Uiso 1 1 calc R U . . .
C128 C 0.6645(5) 0.3400(5) 0.4010(4) 0.098(3) Uani 1 1 d D U . . .
H128 H 0.6478 0.3577 0.4142 0.117 Uiso 1 1 calc R U . . .
C178 C 0.3882(3) 0.2931(5) 0.4307(3) 0.076(3) Uani 1 1 d D U . . .
H178 H 0.3995 0.2954 0.4092 0.091 Uiso 1 1 calc R U . . .
C132 C 0.8458(6) 0.3520(6) 0.3053(4) 0.108(3) Uani 1 1 d D U . . .
C154 C 0.1418(3) 0.3530(4) 0.4703(3) 0.104(3) Uani 1 1 d DG U . . .
C152 C 0.1172(4) 0.3396(4) 0.4423(3) 0.120(4) Uani 1 1 d G U . . .
H152 H 0.1274 0.3181 0.4284 0.143 Uiso 1 1 calc R U . . .
C162 C 0.0778(3) 0.3575(5) 0.4347(3) 0.128(4) Uani 1 1 d G U . . .
H162 H 0.0610 0.3483 0.4155 0.154 Uiso 1 1 calc R U . . .
C184 C 0.0629(3) 0.3888(4) 0.4550(4) 0.135(4) Uani 1 1 d G U . . .
H184 H 0.0359 0.4011 0.4498 0.162 Uiso 1 1 calc R U . . .
C260 C 0.0874(4) 0.4023(4) 0.4831(3) 0.128(4) Uani 1 1 d G U . . .
H260 H 0.0772 0.4237 0.4970 0.153 Uiso 1 1 calc R U . . .
C254 C 0.1269(3) 0.3844(4) 0.4907(3) 0.118(4) Uani 1 1 d G U . . .
H254 H 0.1437 0.3935 0.5098 0.141 Uiso 1 1 calc R U . . .
C282 C 0.4093(4) 0.4023(6) 0.1562(3) 0.095(4) Uani 1 1 d D U . . .
H28A H 0.4146 0.3756 0.1453 0.143 Uiso 1 1 calc R U . . .
H28B H 0.4360 0.4135 0.1661 0.143 Uiso 1 1 calc R U . . .
H28C H 0.3971 0.4220 0.1394 0.143 Uiso 1 1 calc R U . . .
C270 C 0.8420(5) 0.3922(5) 0.3191(4) 0.115(3) Uani 1 1 d D U . . .
C308 C 0.7217(5) 0.3899(4) 0.3907(4) 0.097(3) Uani 1 1 d D U . . .
C280 C 0.8367(5) 0.2841(6) 0.2959(4) 0.114(3) Uani 1 1 d D U . . .
C346 C 0.7042(5) 0.3499(5) 0.3883(4) 0.093(3) Uani 1 1 d D U . . .
C290 C 0.1842(4) 0.3006(5) 0.5634(3) 0.088(3) Uani 1 1 d D U . . .
H290 H 0.1722 0.2940 0.5841 0.105 Uiso 1 1 calc R U . . .
C264 C 0.3783(4) 0.3959(6) 0.1837(3) 0.085(3) Uani 1 1 d D U . . .
H26A H 0.3562 0.3757 0.1758 0.102 Uiso 1 1 calc R U . . .
H26B H 0.3640 0.4227 0.1881 0.102 Uiso 1 1 calc R U . . .
C348 C 0.8116(6) 0.4053(5) 0.3408(4) 0.108(3) Uani 1 1 d D U . . .
C252 C 0.8787(5) 0.3407(6) 0.2839(4) 0.109(4) Uani 1 1 d D U . . .
H252 H 0.9003 0.3579 0.2757 0.131 Uiso 1 1 calc R U . . .
N244 N 0.7635(5) 0.2559(4) 0.3330(4) 0.103(3) Uani 1 1 d . U . . .
C324 C 0.8077(6) 0.4448(5) 0.3554(4) 0.117(4) Uani 1 1 d D U . . .
H324 H 0.8239 0.4688 0.3504 0.140 Uiso 1 1 calc R U . . .
C300 C 0.4090(4) 0.2804(5) 0.4599(3) 0.082(3) Uani 1 1 d D U . . .
H300 H 0.4382 0.2732 0.4628 0.098 Uiso 1 1 calc R U . . .
C322 C 0.5715(5) 0.4582(6) 0.4539(4) 0.092(3) Uani 1 1 d . U . . .
C310 C 0.2867(5) 0.4145(5) 0.2251(4) 0.104(4) Uani 1 1 d D U . . .
H31A H 0.3031 0.4166 0.2047 0.125 Uiso 1 1 calc R U . . .
H31B H 0.2564 0.4120 0.2178 0.125 Uiso 1 1 calc R U . . .
C274 C 0.7761(5) 0.4431(5) 0.3783(4) 0.107(4) Uani 1 1 d D U . . .
H274 H 0.7679 0.4648 0.3928 0.128 Uiso 1 1 calc R U . . .
C250 C 0.3708(4) 0.2662(5) 0.5800(3) 0.089(3) Uani 1 1 d D U . . .
H250 H 0.3985 0.2607 0.5896 0.107 Uiso 1 1 calc R U . . .
C328 C 0.4337(5) 0.3310(5) 0.2118(4) 0.095(3) Uani 1 1 d D U . . .
H32A H 0.4552 0.3395 0.1960 0.114 Uiso 1 1 calc R U . . .
H32B H 0.4492 0.3206 0.2325 0.114 Uiso 1 1 calc R U . . .
C248 C 0.8714(5) 0.2984(6) 0.2778(4) 0.111(4) Uani 1 1 d D U . . .
H248 H 0.8874 0.2815 0.2635 0.134 Uiso 1 1 calc R U . . .
C296 C 0.7700(6) 0.1892(5) 0.3140(5) 0.119(4) Uani 1 1 d D U . . .
H296 H 0.7813 0.1656 0.3032 0.143 Uiso 1 1 calc R U . . .
C330 C 0.7128(6) 0.5741(6) 0.5284(5) 0.119(4) Uani 1 1 d D U . . .
H33A H 0.7386 0.5914 0.5267 0.143 Uiso 1 1 calc R U . . .
H33B H 0.6940 0.5880 0.5440 0.143 Uiso 1 1 calc R U . . .
C342 C 0.2649(4) 0.3641(6) 0.2811(4) 0.098(3) Uani 1 1 d D U . . .
H34A H 0.2725 0.3396 0.2952 0.118 Uiso 1 1 calc R U . . .
H34B H 0.2675 0.3891 0.2956 0.118 Uiso 1 1 calc R U . . .
C201 C 0.5097(6) 0.2263(5) 0.3490(4) 0.104(3) Uani 1 1 d D U . . .
C49 C 0.8719(5) 0.4250(5) 0.3060(4) 0.151(4) Uani 1 1 d DG U . . .
C189 C 0.9082(6) 0.4369(5) 0.3249(3) 0.168(5) Uani 1 1 d G U . . .
H189 H 0.9147 0.4245 0.3463 0.202 Uiso 1 1 calc R U . . .
C217 C 0.9351(5) 0.4669(6) 0.3126(4) 0.180(6) Uani 1 1 d G U . . .
H217 H 0.9599 0.4751 0.3255 0.216 Uiso 1 1 calc R U . . .
C205 C 0.9256(6) 0.4851(5) 0.2813(5) 0.184(6) Uani 1 1 d G U . . .
H205 H 0.9439 0.5056 0.2729 0.221 Uiso 1 1 calc R U . . .
C109 C 0.8892(6) 0.4732(6) 0.2624(4) 0.184(6) Uani 1 1 d G U . . .
H109 H 0.8827 0.4856 0.2411 0.221 Uiso 1 1 calc R U . . .
C53 C 0.8624(5) 0.4431(6) 0.2747(4) 0.174(5) Uani 1 1 d G U . . .
H53 H 0.8376 0.4350 0.2618 0.209 Uiso 1 1 calc R U . . .
C361 C 0.2194(4) 0.3600(7) 0.2684(4) 0.117(5) Uani 1 1 d D U . . .
H36A H 0.2136 0.3795 0.2497 0.176 Uiso 1 1 calc R U . . .
H36B H 0.2009 0.3663 0.2866 0.176 Uiso 1 1 calc R U . . .
H36C H 0.2142 0.3314 0.2605 0.176 Uiso 1 1 calc R U . . .
C219 C 0.5757(5) 0.6024(7) 0.5730(4) 0.117(5) Uani 1 1 d D U . . .
H21C H 0.5564 0.6216 0.5606 0.175 Uiso 1 1 calc R U . . .
H21D H 0.5898 0.6170 0.5921 0.175 Uiso 1 1 calc R U . . .
H21E H 0.5595 0.5788 0.5812 0.175 Uiso 1 1 calc R U . . .
C356 C 0.6086(5) 0.5866(7) 0.5500(4) 0.115(4) Uani 1 1 d D U . . .
H35A H 0.6286 0.5681 0.5630 0.138 Uiso 1 1 calc R U . . .
H35B H 0.6249 0.6106 0.5419 0.138 Uiso 1 1 calc R U . . .
C27 C 0.4430(5) 0.4144(5) 0.2346(4) 0.091(3) Uani 1 1 d D U . . .
H27A H 0.4617 0.4028 0.2531 0.110 Uiso 1 1 calc R U . . .
H27B H 0.4607 0.4194 0.2152 0.110 Uiso 1 1 calc R U . . .
C95 C 0.2927(6) 0.2833(5) 0.2394(4) 0.117(5) Uani 1 1 d D U . . .
H95A H 0.2786 0.2613 0.2258 0.175 Uiso 1 1 calc R U . . .
H95B H 0.2786 0.2865 0.2606 0.175 Uiso 1 1 calc R U . . .
H95C H 0.3225 0.2757 0.2443 0.175 Uiso 1 1 calc R U . . .
C3 C 0.7332(6) 0.1916(5) 0.3316(5) 0.119(4) Uani 1 1 d D U . . .
H3 H 0.7147 0.1688 0.3351 0.143 Uiso 1 1 calc R U . . .
C185 C 0.8419(5) 0.2154(5) 0.2743(4) 0.155(4) Uani 1 1 d DG U . . .
C227 C 0.8328(5) 0.2138(5) 0.2397(4) 0.169(5) Uani 1 1 d G U . . .
H227 H 0.8131 0.2328 0.2293 0.203 Uiso 1 1 calc R U . . .
C7 C 0.8527(6) 0.1843(6) 0.2203(3) 0.181(6) Uani 1 1 d G U . . .
H7 H 0.8465 0.1833 0.1967 0.217 Uiso 1 1 calc R U . . .
C51 C 0.8816(6) 0.1565(5) 0.2355(5) 0.183(6) Uani 1 1 d G U . . .
H51 H 0.8951 0.1364 0.2223 0.219 Uiso 1 1 calc R U . . .
C115 C 0.8906(5) 0.1581(5) 0.2701(5) 0.177(6) Uani 1 1 d G U . . .
H115 H 0.9103 0.1391 0.2805 0.212 Uiso 1 1 calc R U . . .
C207 C 0.8707(6) 0.1875(6) 0.2895(4) 0.168(5) Uani 1 1 d G U . . .
H207 H 0.8769 0.1886 0.3131 0.202 Uiso 1 1 calc R U . . .
C231 C 0.6541(8) 0.6182(8) 0.4351(4) 0.142(7) Uani 1 1 d D U . . .
H23A H 0.6767 0.6084 0.4212 0.214 Uiso 1 1 d R U . . .
H23B H 0.6457 0.6465 0.4284 0.214 Uiso 1 1 d R U . . .
H23C H 0.6296 0.5995 0.4322 0.214 Uiso 1 1 d R U . . .
C352 C 0.2932(7) 0.4530(6) 0.2454(5) 0.126(6) Uani 1 1 d D U . . .
H35C H 0.2880 0.4774 0.2310 0.188 Uiso 1 1 calc R U . . .
H35D H 0.3224 0.4537 0.2552 0.188 Uiso 1 1 calc R U . . .
H35E H 0.2734 0.4532 0.2636 0.188 Uiso 1 1 calc R U . . .
C358 C 0.5645(9) 0.4935(8) 0.5577(6) 0.173(8) Uani 1 1 d D U . . .
H35F H 0.5718 0.4685 0.5449 0.260 Uiso 1 1 d R U . . .
H35G H 0.5443 0.4860 0.5744 0.260 Uiso 1 1 d R U . . .
H35H H 0.5902 0.5051 0.5690 0.260 Uiso 1 1 d R U . . .
C199 C 0.6700(6) 0.6182(6) 0.4719(4) 0.117(4) Uani 1 1 d D U . . .
H19A H 0.6475 0.6290 0.4860 0.140 Uiso 1 1 calc R U . . .
H19B H 0.6949 0.6369 0.4749 0.140 Uiso 1 1 calc R U . . .
C135 C 0.6269(7) 0.1643(8) 0.6067(6) 0.159(5) Uani 1 1 d D U . . .
H13A H 0.6549 0.1772 0.6036 0.191 Uiso 1 1 calc DR U . . .
H13B H 0.6263 0.1544 0.6302 0.191 Uiso 1 1 calc R U . . .
C141 C 0.5909(6) 0.2344(8) 0.6362(5) 0.159(5) Uani 1 1 d D U . . .
H14A H 0.5910 0.2157 0.6560 0.191 Uiso 1 1 calc R U . . .
H14B H 0.6189 0.2484 0.6365 0.191 Uiso 1 1 calc R U . . .
C261 C 0.6818(6) 0.2726(8) 0.5894(5) 0.173(5) Uani 1 1 d D U . . .
H26C H 0.6956 0.2988 0.5825 0.207 Uiso 1 1 calc R U . . .
H26D H 0.6589 0.2806 0.6041 0.207 Uiso 1 1 calc R U . . .
C243 C 0.4089(6) 0.2955(6) 0.1964(4) 0.127(6) Uani 1 1 d D U . . .
H24A H 0.3983 0.3032 0.1737 0.190 Uiso 1 1 calc R U . . .
H24B H 0.3850 0.2891 0.2102 0.190 Uiso 1 1 calc R U . . .
H24C H 0.4273 0.2709 0.1953 0.190 Uiso 1 1 calc R U . . .
C241 C 0.7243(8) 0.5317(7) 0.5409(6) 0.156(7) Uani 1 1 d D U . . .
H24D H 0.7368 0.5159 0.5229 0.233 Uiso 1 1 calc R U . . .
H24E H 0.6988 0.5174 0.5477 0.233 Uiso 1 1 calc R U . . .
H24F H 0.7448 0.5340 0.5602 0.233 Uiso 1 1 calc R U . . .
C129 C 0.5297(10) 0.0338(7) 0.3881(8) 0.181(5) Uani 1 1 d D U . . .
H12A H 0.5343 0.0451 0.4112 0.217 Uiso 1 1 calc R U . . .
H12B H 0.4986 0.0327 0.3837 0.217 Uiso 1 1 calc R U . . .
C123 C 0.4256(6) 0.4553(5) 0.2457(5) 0.126(6) Uani 1 1 d D U . . .
H12C H 0.4080 0.4676 0.2273 0.189 Uiso 1 1 calc R U . . .
H12D H 0.4490 0.4742 0.2521 0.189 Uiso 1 1 calc R U . . .
H12E H 0.4083 0.4508 0.2651 0.189 Uiso 1 1 calc R U . . .
C121 C 0.7867(6) 0.2304(5) 0.3159(5) 0.115(3) Uani 1 1 d D U . . .
N61 N 0.5851(4) 0.1653(4) 0.3656(3) 0.139(4) Uani 1 1 d G U . . .
C245 C 0.6053(4) 0.1796(4) 0.3954(2) 0.133(4) Uani 1 1 d G U . D .
H245 H 0.5946 0.1722 0.4164 0.159 Uiso 1 1 calc R U . . .
C63 C 0.6410(4) 0.2047(4) 0.3943(2) 0.126(4) Uani 1 1 d G U . D .
H63 H 0.6548 0.2144 0.4147 0.151 Uiso 1 1 calc R U . . .
C9 C 0.6567(4) 0.2155(4) 0.3636(3) 0.114(3) Uani 1 1 d DG U . D .
C265 C 0.6365(4) 0.2012(4) 0.3338(2) 0.119(4) Uani 1 1 d G U . D .
H265 H 0.6472 0.2086 0.3127 0.143 Uiso 1 1 calc R U . . .
C259 C 0.6008(4) 0.1761(4) 0.3348(2) 0.132(4) Uani 1 1 d G U . D .
H259 H 0.5870 0.1664 0.3145 0.158 Uiso 1 1 calc R U . . .
C69 C 0.6852(5) 0.1984(9) 0.5405(6) 0.159(5) Uani 1 1 d D U . . .
H69A H 0.6789 0.1765 0.5570 0.190 Uiso 1 1 calc R U . . .
H69B H 0.6763 0.1882 0.5176 0.190 Uiso 1 1 calc R U . . .
C287 C 0.6736(6) 0.2856(8) 0.5191(5) 0.154(5) Uani 1 1 d D U . . .
H28D H 0.6584 0.3123 0.5219 0.184 Uiso 1 1 calc R U . . .
H28E H 0.7042 0.2909 0.5238 0.184 Uiso 1 1 calc R U . . .
C239 C 0.5329(6) 0.1741(8) 0.5990(6) 0.158(5) Uani 1 1 d D U . . .
H23D H 0.5102 0.1950 0.6016 0.190 Uiso 1 1 calc R U . . .
H23E H 0.5270 0.1601 0.5771 0.190 Uiso 1 1 calc R U . . .
C255 C 0.7319(5) 0.2081(10) 0.5425(6) 0.178(8) Uani 1 1 d D U . . .
H25A H 0.7446 0.1979 0.5221 0.266 Uiso 1 1 calc R U . . .
H25B H 0.7455 0.1943 0.5623 0.266 Uiso 1 1 calc DR U . . .
H25C H 0.7360 0.2383 0.5444 0.266 Uiso 1 1 calc DR U . . .
C269 C 0.6669(6) 0.2721(9) 0.4836(5) 0.174(8) Uani 1 1 d D U . . .
H26E H 0.6885 0.2848 0.4701 0.261 Uiso 1 1 calc R U . . .
H26F H 0.6386 0.2810 0.4749 0.261 Uiso 1 1 calc R U . . .
H26G H 0.6690 0.2417 0.4823 0.261 Uiso 1 1 calc R U . . .
C35 C 0.6192(8) 0.1283(8) 0.5823(6) 0.180(8) Uani 1 1 d D U . . .
H35I H 0.6169 0.1390 0.5592 0.270 Uiso 1 1 calc R U . . .
H35J H 0.5929 0.1140 0.5873 0.270 Uiso 1 1 calc R U . . .
H35K H 0.6429 0.1086 0.5847 0.270 Uiso 1 1 calc R U . . .
C147 C 0.5576(8) 0.2667(9) 0.6396(7) 0.187(8) Uani 1 1 d D U . . .
H14C H 0.5319 0.2563 0.6272 0.280 Uiso 1 1 d R U . . .
H14D H 0.5671 0.2923 0.6290 0.280 Uiso 1 1 d R U . . .
H14E H 0.5514 0.2724 0.6630 0.280 Uiso 1 1 d R U . . .
C237 C 0.5293(8) 0.1420(9) 0.6262(7) 0.199(8) Uani 1 1 d D U . . .
H23F H 0.5498 0.1208 0.6200 0.299 Uiso 1 1 d R U . . .
H23G H 0.5009 0.1298 0.6254 0.299 Uiso 1 1 d R U . . .
H23H H 0.5368 0.1520 0.6490 0.299 Uiso 1 1 d R U . . .
C41 C 0.7138(6) 0.2488(8) 0.6104(6) 0.235(10) Uani 1 1 d D U . . .
H41A H 0.7384 0.2427 0.5973 0.353 Uiso 1 1 calc DR U . . .
H41B H 0.7012 0.2225 0.6177 0.353 Uiso 1 1 calc DR U . . .
H41C H 0.7229 0.2653 0.6303 0.353 Uiso 1 1 calc R U . . .
C77 C 0.4246(7) 0.1742(7) 0.3627(8) 0.164(5) Uani 1 1 d D U . . .
H77A H 0.4326 0.1965 0.3791 0.197 Uiso 1 1 calc R U . . .
H77B H 0.4330 0.1838 0.3404 0.197 Uiso 1 1 calc R U . . .
C331 C 0.4629(9) 0.1414(9) 0.4429(7) 0.191(9) Uani 1 1 d D U . . .
H33C H 0.4821 0.1632 0.4356 0.286 Uiso 1 1 calc R U . . .
H33D H 0.4771 0.1251 0.4610 0.286 Uiso 1 1 calc R U . . .
H33E H 0.4372 0.1542 0.4510 0.286 Uiso 1 1 calc R U . . .
C37 C 0.4512(9) 0.1136(8) 0.4141(7) 0.168(5) Uani 1 1 d D U . . .
H37A H 0.4208 0.1069 0.4157 0.202 Uiso 1 1 calc R U . . .
H37B H 0.4670 0.0872 0.4183 0.202 Uiso 1 1 calc R U . . .
C21 C 0.6019(10) 0.0699(8) 0.3566(7) 0.184(5) Uani 1 1 d D U . . .
H21F H 0.6084 0.0436 0.3449 0.220 Uiso 1 1 calc R U . . .
H21G H 0.6119 0.0936 0.3432 0.220 Uiso 1 1 calc R U . . .
C345 C 0.5263(10) 0.0499(8) 0.3214(7) 0.179(5) Uani 1 1 d D U . . .
H34C H 0.5365 0.0207 0.3203 0.215 Uiso 1 1 calc R U . . .
H34D H 0.4949 0.0495 0.3200 0.215 Uiso 1 1 calc DR U . . .
C177 C 0.4289(9) 0.0865(6) 0.3468(7) 0.172(5) Uani 1 1 d D U . . .
H17A H 0.4437 0.0593 0.3491 0.207 Uiso 1 1 calc R U . . .
H17B H 0.3998 0.0827 0.3543 0.207 Uiso 1 1 calc DR U . . .
C81 C 0.3774(7) 0.1703(7) 0.3612(8) 0.188(9) Uani 1 1 d D U . . .
H81A H 0.3653 0.1866 0.3422 0.282 Uiso 1 1 calc R U . . .
H81B H 0.3665 0.1807 0.3822 0.282 Uiso 1 1 calc R U . . .
H81C H 0.3695 0.1409 0.3582 0.282 Uiso 1 1 calc DR U . . .
C159 C 0.6228(11) 0.0703(9) 0.3912(8) 0.216(9) Uani 1 1 d D U . . .
H15A H 0.6370 0.0436 0.3958 0.324 Uiso 1 1 d R U . . .
H15B H 0.6018 0.0752 0.4080 0.324 Uiso 1 1 d R U . . .
H15C H 0.6438 0.0929 0.3923 0.324 Uiso 1 1 d R U . . .
C301 C 0.5421(11) 0.0745(9) 0.2925(8) 0.213(9) Uani 1 1 d D U . . .
H30A H 0.5730 0.0772 0.2952 0.319 Uiso 1 1 calc R U . . .
H30B H 0.5291 0.1022 0.2920 0.319 Uiso 1 1 calc R U . . .
H30C H 0.5345 0.0600 0.2713 0.319 Uiso 1 1 calc R U . . .
C167 C 0.5473(6) 0.5247(7) 0.5320(5) 0.134(4) Uani 1 1 d D U . . .
H16A H 0.5259 0.5421 0.5426 0.160 Uiso 1 1 calc R U . . .
H16B H 0.5326 0.5092 0.5132 0.160 Uiso 1 1 calc R U . . .
C337 C 0.5428(12) -0.0109(7) 0.3912(9) 0.225(10) Uani 1 1 d D U . . .
H33F H 0.5620 -0.0168 0.3732 0.338 Uiso 1 1 d R U . . .
H33G H 0.5177 -0.0288 0.3883 0.338 Uiso 1 1 d R U . . .
H33H H 0.5575 -0.0165 0.4131 0.338 Uiso 1 1 d R U . . .
C349 C 0.7639(7) 0.5818(7) 0.4579(6) 0.152(7) Uani 1 1 d D U . . .
H34E H 0.7534 0.6103 0.4543 0.228 Uiso 1 1 calc R U . . .
H34F H 0.7825 0.5743 0.4399 0.228 Uiso 1 1 calc R U . . .
H34G H 0.7799 0.5802 0.4797 0.228 Uiso 1 1 calc R U . . .
C173 C 0.7268(6) 0.5520(6) 0.4576(5) 0.122(4) Uani 1 1 d D U . . .
H17C H 0.7374 0.5241 0.4646 0.146 Uiso 1 1 calc R U . . .
H17D H 0.7146 0.5495 0.4342 0.146 Uiso 1 1 calc R U . . .
C79 C 0.5551(6) 0.6020(7) 0.4890(5) 0.131(4) Uani 1 1 d D U . . .
H79A H 0.5389 0.6194 0.5043 0.157 Uiso 1 1 calc R U . . .
H79B H 0.5753 0.6202 0.4777 0.157 Uiso 1 1 calc R U . . .
C175 C 0.5252(7) 0.5819(8) 0.4630(6) 0.166(8) Uani 1 1 d D U . . .
H17E H 0.5411 0.5634 0.4487 0.248 Uiso 1 1 calc R U . . .
H17F H 0.5111 0.6036 0.4490 0.248 Uiso 1 1 calc R U . . .
H17G H 0.5038 0.5657 0.4743 0.248 Uiso 1 1 calc R U . . .
C89 C 0.4265(11) 0.0990(9) 0.3105(7) 0.208(9) Uani 1 1 d D U . . .
H89A H 0.3967 0.1007 0.3023 0.311 Uiso 1 1 calc R U . . .
H89B H 0.4412 0.0783 0.2973 0.311 Uiso 1 1 calc DR U . . .
H89C H 0.4400 0.1263 0.3081 0.311 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt32 P24 2.256(3) . ?
Pt32 P66 2.226(4) . ?
Pt32 O106 2.058(8) . ?
Pt32 N86 2.074(5) . ?
Pt58 P94 2.252(5) . ?
Pt58 P52 2.242(5) . ?
Pt58 O96 2.116(10) . ?
Pt58 N36 2.086(6) . ?
Pt28 P30 2.231(5) . ?
Pt28 P92 2.291(5) . ?
Pt28 O64 2.012(11) . ?
Pt28 N76 2.068(7) . ?
Pt90 P60 2.232(8) . ?
Pt90 P88 2.215(7) . ?
Pt90 O10 2.109(15) . ?
Pt90 N61 2.060(10) . ?
P24 C264 1.822(13) . ?
P24 C328 1.808(16) . ?
P24 C27 1.761(17) . ?
P66 C212 1.844(16) . ?
P66 C310 1.795(17) . ?
P66 C342 1.835(14) . ?
P30 C330 1.914(19) . ?
P30 C199 1.77(2) . ?
P30 C173 1.844(18) . ?
P92 C356 1.773(16) . ?
P92 C167 1.81(2) . ?
P92 C79 1.96(2) . ?
P94 C261 1.894(16) . ?
P94 C69 1.90(3) . ?
P94 C287 1.83(2) . ?
P52 C135 1.84(2) . ?
P52 C141 1.86(3) . ?
P52 C239 1.86(2) . ?
P60 C77 1.92(2) . ?
P60 C37 1.63(3) . ?
P60 C177 1.87(3) . ?
P88 C129 1.75(2) . ?
P88 C21 1.79(3) . ?
P88 C345 1.87(3) . ?
O82 C4 1.184(16) . ?
O106 C4 1.344(15) . ?
O96 C118 1.297(19) . ?
N68 C70 1.375(14) . ?
N68 C108 1.359(15) . ?
N86 C240 1.3900 . ?
N86 C210 1.3900 . ?
C240 H240 0.9500 . ?
C240 C104 1.3900 . ?
C104 H104 0.9500 . ?
C104 C16 1.3900 . ?
C16 C204 1.3900 . ?
C16 C84 1.507(9) . ?
C204 H204 0.9500 . ?
C204 C210 1.3900 . ?
C210 H210 0.9500 . ?
N40 C164 1.382(15) . ?
N40 C156 1.350(16) . ?
N98 C146 1.369(15) . ?
N98 C224 1.345(16) . ?
N100 C14 1.345(15) . ?
N100 C26 1.429(14) . ?
O12 C322 1.216(18) . ?
C84 C70 1.396(11) . ?
C84 C26 1.381(11) . ?
C1 H1 0.9500 . ?
C1 C26 1.415(11) . ?
C1 C192 1.392(12) . ?
C70 C178 1.438(11) . ?
O64 C322 1.347(16) . ?
O22 C118 1.243(18) . ?
C108 C8 1.401(11) . ?
C108 C300 1.436(12) . ?
O34 C201 1.229(18) . ?
C118 C230 1.473(16) . ?
O10 C201 1.287(19) . ?
N54 C194 1.37(2) . ?
N54 C348 1.37(2) . ?
N36 C234 1.3900 . ?
N36 C334 1.3900 . ?
C234 H234 0.9500 . ?
C234 C130 1.3900 . ?
C130 H130 0.9500 . ?
C130 C238 1.3900 . ?
C238 C286 1.3900 . ?
C238 C8 1.498(10) . ?
C286 H286 0.9500 . ?
C286 C334 1.3900 . ?
C334 H334 0.9500 . ?
C8 C224 1.408(12) . ?
C14 C160 1.419(11) . ?
C14 C192 1.393(12) . ?
C38 C46 1.508(10) . ?
C38 C146 1.408(12) . ?
C38 C164 1.384(12) . ?
C4 C42 1.509(16) . ?
N44 C226 1.41(2) . ?
N44 C346 1.385(19) . ?
C46 C120 1.3900 . ?
C46 C122 1.3900 . ?
C120 H120 0.9500 . ?
C120 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C48 1.3900 . ?
C48 H48 0.9500 . ?
C48 C116 1.3900 . ?
C116 H116 0.9500 . ?
C116 C122 1.3900 . ?
C122 H122 0.9500 . ?
N76 C268 1.3900 . ?
N76 C228 1.3900 . ?
C268 H268 0.9500 . ?
C268 C306 1.3900 . ?
C306 H306 0.9500 . ?
C306 C222 1.3900 . ?
C222 C318 1.3900 . ?
C222 C308 1.525(12) . ?
C318 H318 0.9500 . ?
C318 C228 1.3900 . ?
C228 H228 0.9500 . ?
C148 C74 1.3900 . ?
C148 C200 1.3900 . ?
C148 C220 1.541(7) . ?
C74 H74 0.9500 . ?
C74 C232 1.3900 . ?
C232 C78 1.3900 . ?
C232 C322 1.512(19) . ?
C78 H78 0.9500 . ?
C78 C230 1.3900 . ?
C230 C200 1.3900 . ?
C200 H200 0.9500 . ?
C216 H216 0.9500 . ?
C216 C156 1.400(12) . ?
C216 C290 1.391(12) . ?
C146 C174 1.457(8) . ?
C174 H174 0.9500 . ?
C174 C250 1.368(12) . ?
C224 C250 1.407(11) . ?
C212 H21A 0.9900 . ?
C212 H21B 0.9900 . ?
C212 C95 1.503(13) . ?
C164 C290 1.409(12) . ?
C220 C124 1.3900 . ?
C220 C202 1.3900 . ?
C124 H124 0.9500 . ?
C124 C144 1.3900 . ?
C144 C56 1.3900 . ?
C144 C201 1.511(15) . ?
C56 H56 0.9500 . ?
C56 C42 1.3900 . ?
C42 C202 1.3900 . ?
C202 H202 0.9500 . ?
C156 C160 1.397(12) . ?
C194 C308 1.406(13) . ?
C194 C274 1.399(13) . ?
C226 C198 1.405(13) . ?
C226 C136 1.385(13) . ?
N126 C132 1.39(2) . ?
N126 C280 1.40(2) . ?
C160 C154 1.488(11) . ?
C198 C168 1.385(13) . ?
C198 C9 1.516(13) . ?
C168 N244 1.45(2) . ?
C168 C3 1.390(13) . ?
C180 C280 1.402(13) . ?
C180 C185 1.503(13) . ?
C180 C121 1.372(13) . ?
C192 H192 0.9500 . ?
C136 H136 0.9500 . ?
C136 C128 1.388(13) . ?
C128 H128 0.9500 . ?
C128 C346 1.413(13) . ?
C178 H178 0.9500 . ?
C178 C300 1.362(12) . ?
C132 C270 1.407(13) . ?
C132 C252 1.427(13) . ?
C154 C152 1.3900 . ?
C154 C254 1.3900 . ?
C152 H152 0.9500 . ?
C152 C162 1.3900 . ?
C162 H162 0.9500 . ?
C162 C184 1.3900 . ?
C184 H184 0.9500 . ?
C184 C260 1.3900 . ?
C260 H260 0.9500 . ?
C260 C254 1.3900 . ?
C254 H254 0.9500 . ?
C282 H28A 0.9800 . ?
C282 H28B 0.9800 . ?
C282 H28C 0.9800 . ?
C282 C264 1.523(12) . ?
C270 C348 1.393(13) . ?
C270 C49 1.525(11) . ?
C308 C346 1.397(13) . ?
C280 C248 1.418(13) . ?
C290 H290 0.9500 . ?
C264 H26A 0.9900 . ?
C264 H26B 0.9900 . ?
C348 C324 1.399(13) . ?
C252 H252 0.9500 . ?
C252 C248 1.396(13) . ?
N244 C121 1.31(2) . ?
C324 H324 0.9500 . ?
C324 C274 1.391(13) . ?
C300 H300 0.9500 . ?
C310 H31A 0.9900 . ?
C310 H31B 0.9900 . ?
C310 C352 1.483(11) . ?
C274 H274 0.9500 . ?
C250 H250 0.9500 . ?
C328 H32A 0.9900 . ?
C328 H32B 0.9900 . ?
C328 C243 1.491(13) . ?
C248 H248 0.9500 . ?
C296 H296 0.9500 . ?
C296 C3 1.392(13) . ?
C296 C121 1.422(13) . ?
C330 H33A 0.9900 . ?
C330 H33B 0.9900 . ?
C330 C241 1.484(14) . ?
C342 H34A 0.9900 . ?
C342 H34B 0.9900 . ?
C342 C361 1.499(13) . ?
C49 C189 1.3900 . ?
C49 C53 1.3900 . ?
C189 H189 0.9500 . ?
C189 C217 1.3900 . ?
C217 H217 0.9500 . ?
C217 C205 1.3900 . ?
C205 H205 0.9500 . ?
C205 C109 1.3900 . ?
C109 H109 0.9500 . ?
C109 C53 1.3900 . ?
C53 H53 0.9500 . ?
C361 H36A 0.9800 . ?
C361 H36B 0.9800 . ?
C361 H36C 0.9800 . ?
C219 H21C 0.9800 . ?
C219 H21D 0.9800 . ?
C219 H21E 0.9800 . ?
C219 C356 1.510(13) . ?
C356 H35A 0.9900 . ?
C356 H35B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C123 1.499(13) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C3 H3 0.9500 . ?
C185 C227 1.3900 . ?
C185 C207 1.3900 . ?
C227 H227 0.9500 . ?
C227 C7 1.3900 . ?
C7 H7 0.9500 . ?
C7 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C115 1.3900 . ?
C115 H115 0.9500 . ?
C115 C207 1.3900 . ?
C207 H207 0.9500 . ?
C231 H23A 0.9799 . ?
C231 H23B 0.9801 . ?
C231 H23C 0.9805 . ?
C231 C199 1.519(13) . ?
C352 H35C 0.9800 . ?
C352 H35D 0.9800 . ?
C352 H35E 0.9800 . ?
C358 H35F 0.9807 . ?
C358 H35G 0.9800 . ?
C358 H35H 0.9793 . ?
C358 C167 1.507(12) . ?
C199 H19A 0.9900 . ?
C199 H19B 0.9900 . ?
C135 H13A 0.9900 . ?
C135 H13B 0.9900 . ?
C135 C35 1.520(14) . ?
C141 H14A 0.9900 . ?
C141 H14B 0.9900 . ?
C141 C147 1.486(12) . ?
C261 H26C 0.9900 . ?
C261 H26D 0.9900 . ?
C261 C41 1.487(10) . ?
C243 H24A 0.9800 . ?
C243 H24B 0.9800 . ?
C243 H24C 0.9800 . ?
C241 H24D 0.9800 . ?
C241 H24E 0.9800 . ?
C241 H24F 0.9800 . ?
C129 H12A 0.9900 . ?
C129 H12B 0.9900 . ?
C129 C337 1.497(12) . ?
C123 H12C 0.9800 . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
N61 C245 1.3900 . ?
N61 C259 1.3900 . ?
C245 H245 0.9500 . ?
C245 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C9 1.3900 . ?
C9 C265 1.3900 . ?
C265 H265 0.9500 . ?
C265 C259 1.3900 . ?
C259 H259 0.9500 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C255 1.503(14) . ?
C287 H28D 0.9900 . ?
C287 H28E 0.9900 . ?
C287 C269 1.479(14) . ?
C239 H23D 0.9900 . ?
C239 H23E 0.9900 . ?
C239 C237 1.502(11) . ?
C255 H25A 0.9800 . ?
C255 H25B 0.9800 . ?
C255 H25C 0.9800 . ?
C269 H26E 0.9800 . ?
C269 H26F 0.9800 . ?
C269 H26G 0.9800 . ?
C35 H35I 0.9800 . ?
C35 H35J 0.9800 . ?
C35 H35K 0.9800 . ?
C147 H14C 0.9800 . ?
C147 H14D 0.9794 . ?
C147 H14E 0.9802 . ?
C237 H23F 0.9793 . ?
C237 H23G 0.9788 . ?
C237 H23H 0.9802 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C81 1.492(14) . ?
C331 H33C 0.9800 . ?
C331 H33D 0.9800 . ?
C331 H33E 0.9800 . ?
C331 C37 1.481(12) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C21 H21F 0.9900 . ?
C21 H21G 0.9900 . ?
C21 C159 1.491(14) . ?
C345 H34C 0.9900 . ?
C345 H34D 0.9900 . ?
C345 C301 1.503(14) . ?
C177 H17A 0.9900 . ?
C177 H17B 0.9900 . ?
C177 C89 1.496(12) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C159 H15A 0.9802 . ?
C159 H15B 0.9802 . ?
C159 H15C 0.9801 . ?
C301 H30A 0.9800 . ?
C301 H30B 0.9800 . ?
C301 H30C 0.9800 . ?
C167 H16A 0.9900 . ?
C167 H16B 0.9900 . ?
C337 H33F 0.9787 . ?
C337 H33G 0.9802 . ?
C337 H33H 0.9799 . ?
C349 H34E 0.9800 . ?
C349 H34F 0.9800 . ?
C349 H34G 0.9800 . ?
C349 C173 1.512(13) . ?
C173 H17C 0.9900 . ?
C173 H17D 0.9900 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C175 1.505(14) . ?
C175 H17E 0.9800 . ?
C175 H17F 0.9800 . ?
C175 H17G 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 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
P66 Pt32 P24 99.23(13) . . ?
O106 Pt32 P24 86.5(2) . . ?
O106 Pt32 P66 167.9(3) . . ?
O106 Pt32 N86 82.0(3) . . ?
N86 Pt32 P24 168.2(2) . . ?
N86 Pt32 P66 92.6(2) . . ?
P52 Pt58 P94 96.97(19) . . ?
O96 Pt58 P94 90.8(3) . . ?
O96 Pt58 P52 172.2(3) . . ?
N36 Pt58 P94 170.8(3) . . ?
N36 Pt58 P52 92.1(3) . . ?
N36 Pt58 O96 80.1(4) . . ?
P30 Pt28 P92 96.85(18) . . ?
O64 Pt28 P30 171.5(4) . . ?
O64 Pt28 P92 89.8(4) . . ?
O64 Pt28 N76 80.5(4) . . ?
N76 Pt28 P30 93.0(3) . . ?
N76 Pt28 P92 170.1(3) . . ?
P88 Pt90 P60 96.5(3) . . ?
O10 Pt90 P60 90.2(4) . . ?
O10 Pt90 P88 173.0(5) . . ?
N61 Pt90 P60 167.7(4) . . ?
N61 Pt90 P88 95.6(4) . . ?
N61 Pt90 O10 77.6(5) . . ?
C264 P24 Pt32 123.6(4) . . ?
C328 P24 Pt32 108.6(5) . . ?
C328 P24 C264 106.3(7) . . ?
C27 P24 Pt32 106.2(5) . . ?
C27 P24 C264 105.7(7) . . ?
C27 P24 C328 105.1(7) . . ?
C212 P66 Pt32 109.5(5) . . ?
C310 P66 Pt32 119.9(6) . . ?
C310 P66 C212 106.7(7) . . ?
C310 P66 C342 104.3(8) . . ?
C342 P66 Pt32 111.3(4) . . ?
C342 P66 C212 104.0(8) . . ?
C330 P30 Pt28 114.7(7) . . ?
C199 P30 Pt28 115.4(7) . . ?
C199 P30 C330 105.0(8) . . ?
C199 P30 C173 104.5(10) . . ?
C173 P30 Pt28 112.0(6) . . ?
C173 P30 C330 104.1(9) . . ?
C356 P92 Pt28 117.7(5) . . ?
C356 P92 C167 104.5(10) . . ?
C356 P92 C79 102.9(9) . . ?
C167 P92 Pt28 110.1(8) . . ?
C167 P92 C79 107.1(10) . . ?
C79 P92 Pt28 113.6(7) . . ?
C261 P94 Pt58 113.5(7) . . ?
C261 P94 C69 108.6(10) . . ?
C69 P94 Pt58 115.9(7) . . ?
C287 P94 Pt58 114.3(6) . . ?
C287 P94 C261 98.8(11) . . ?
C287 P94 C69 104.1(10) . . ?
C135 P52 Pt58 120.3(7) . . ?
C135 P52 C141 98.6(10) . . ?
C135 P52 C239 107.5(11) . . ?
C141 P52 Pt58 110.6(8) . . ?
C239 P52 Pt58 111.1(6) . . ?
C239 P52 C141 107.5(11) . . ?
C77 P60 Pt90 108.6(8) . . ?
C37 P60 Pt90 108.8(11) . . ?
C37 P60 C77 110.0(15) . . ?
C37 P60 C177 109.5(13) . . ?
C177 P60 Pt90 120.0(10) . . ?
C177 P60 C77 99.3(12) . . ?
C129 P88 Pt90 122.2(10) . . ?
C129 P88 C21 109.8(14) . . ?
C129 P88 C345 96.2(13) . . ?
C21 P88 Pt90 112.5(10) . . ?
C21 P88 C345 98.5(14) . . ?
C345 P88 Pt90 114.1(9) . . ?
C4 O106 Pt32 119.4(8) . . ?
C118 O96 Pt58 117.4(9) . . ?
C108 N68 C70 105.6(9) . . ?
C240 N86 Pt32 120.6(4) . . ?
C240 N86 C210 120.0 . . ?
C210 N86 Pt32 119.3(4) . . ?
N86 C240 H240 120.0 . . ?
N86 C240 C104 120.0 . . ?
C104 C240 H240 120.0 . . ?
C240 C104 H104 120.0 . . ?
C16 C104 C240 120.0 . . ?
C16 C104 H104 120.0 . . ?
C104 C16 C84 117.3(7) . . ?
C204 C16 C104 120.0 . . ?
C204 C16 C84 122.7(7) . . ?
C16 C204 H204 120.0 . . ?
C16 C204 C210 120.0 . . ?
C210 C204 H204 120.0 . . ?
N86 C210 H210 120.0 . . ?
C204 C210 N86 120.0 . . ?
C204 C210 H210 120.0 . . ?
C156 N40 C164 105.5(9) . . ?
C224 N98 C146 110.1(9) . . ?
C14 N100 C26 109.6(9) . . ?
C70 C84 C16 116.8(8) . . ?
C26 C84 C16 115.8(8) . . ?
C26 C84 C70 127.4(9) . . ?
C26 C1 H1 126.7 . . ?
C192 C1 H1 126.7 . . ?
C192 C1 C26 106.7(10) . . ?
N68 C70 C84 125.2(9) . . ?
N68 C70 C178 110.7(9) . . ?
C84 C70 C178 124.0(9) . . ?
C322 O64 Pt28 122.2(11) . . ?
N68 C108 C8 125.2(10) . . ?
N68 C108 C300 110.6(9) . . ?
C8 C108 C300 124.2(11) . . ?
O96 C118 C230 115.1(13) . . ?
O22 C118 O96 123.1(14) . . ?
O22 C118 C230 121.7(17) . . ?
C201 O10 Pt90 116.6(11) . . ?
C194 N54 C348 109.2(13) . . ?
C234 N36 Pt58 116.7(5) . . ?
C234 N36 C334 120.0 . . ?
C334 N36 Pt58 121.6(5) . . ?
N36 C234 H234 120.0 . . ?
C130 C234 N36 120.0 . . ?
C130 C234 H234 120.0 . . ?
C234 C130 H130 120.0 . . ?
C234 C130 C238 120.0 . . ?
C238 C130 H130 120.0 . . ?
C130 C238 C8 120.2(9) . . ?
C286 C238 C130 120.0 . . ?
C286 C238 C8 119.7(9) . . ?
C238 C286 H286 120.0 . . ?
C334 C286 C238 120.0 . . ?
C334 C286 H286 120.0 . . ?
N36 C334 H334 120.0 . . ?
C286 C334 N36 120.0 . . ?
C286 C334 H334 120.0 . . ?
C108 C8 C238 116.0(9) . . ?
C108 C8 C224 126.3(10) . . ?
C224 C8 C238 117.2(9) . . ?
N100 C14 C160 125.4(10) . . ?
N100 C14 C192 107.9(9) . . ?
C192 C14 C160 126.8(11) . . ?
C146 C38 C46 116.9(10) . . ?
C164 C38 C46 118.2(10) . . ?
C164 C38 C146 124.1(9) . . ?
C84 C26 N100 125.2(10) . . ?
C84 C26 C1 128.4(10) . . ?
C1 C26 N100 106.0(9) . . ?
O82 C4 O106 125.2(13) . . ?
O82 C4 C42 122.5(11) . . ?
O106 C4 C42 112.0(12) . . ?
C346 N44 C226 102.5(13) . . ?
C120 C46 C38 119.8(9) . . ?
C120 C46 C122 120.0 . . ?
C122 C46 C38 120.2(9) . . ?
C46 C120 H120 120.0 . . ?
C20 C120 C46 120.0 . . ?
C20 C120 H120 120.0 . . ?
C120 C20 H20 120.0 . . ?
C120 C20 C48 120.0 . . ?
C48 C20 H20 120.0 . . ?
C20 C48 H48 120.0 . . ?
C116 C48 C20 120.0 . . ?
C116 C48 H48 120.0 . . ?
C48 C116 H116 120.0 . . ?
C122 C116 C48 120.0 . . ?
C122 C116 H116 120.0 . . ?
C46 C122 H122 120.0 . . ?
C116 C122 C46 120.0 . . ?
C116 C122 H122 120.0 . . ?
C268 N76 Pt28 120.1(5) . . ?
C268 N76 C228 120.0 . . ?
C228 N76 Pt28 119.7(5) . . ?
N76 C268 H268 120.0 . . ?
N76 C268 C306 120.0 . . ?
C306 C268 H268 120.0 . . ?
C268 C306 H306 120.0 . . ?
C222 C306 C268 120.0 . . ?
C222 C306 H306 120.0 . . ?
C306 C222 C318 120.0 . . ?
C306 C222 C308 120.2(9) . . ?
C318 C222 C308 119.8(9) . . ?
C222 C318 H318 120.0 . . ?
C222 C318 C228 120.0 . . ?
C228 C318 H318 120.0 . . ?
N76 C228 H228 120.0 . . ?
C318 C228 N76 120.0 . . ?
C318 C228 H228 120.0 . . ?
C74 C148 C200 120.0 . . ?
C74 C148 C220 121.0(6) . . ?
C200 C148 C220 118.9(6) . . ?
C148 C74 H74 120.0 . . ?
C232 C74 C148 120.0 . . ?
C232 C74 H74 120.0 . . ?
C74 C232 C78 120.0 . . ?
C74 C232 C322 117.3(8) . . ?
C78 C232 C322 122.7(8) . . ?
C232 C78 H78 120.0 . . ?
C232 C78 C230 120.0 . . ?
C230 C78 H78 120.0 . . ?
C78 C230 C118 117.2(9) . . ?
C78 C230 C200 120.0 . . ?
C200 C230 C118 122.7(9) . . ?
C148 C200 H200 120.0 . . ?
C230 C200 C148 120.0 . . ?
C230 C200 H200 120.0 . . ?
C156 C216 H216 126.6 . . ?
C290 C216 H216 126.6 . . ?
C290 C216 C156 106.9(11) . . ?
N98 C146 C38 127.9(9) . . ?
N98 C146 C174 107.3(10) . . ?
C38 C146 C174 124.7(10) . . ?
C146 C174 H174 127.5 . . ?
C250 C174 C146 105.0(10) . . ?
C250 C174 H174 127.5 . . ?
N98 C224 C8 125.7(10) . . ?
N98 C224 C250 107.6(10) . . ?
C250 C224 C8 126.8(11) . . ?
P66 C212 H21A 109.3 . . ?
P66 C212 H21B 109.3 . . ?
H21A C212 H21B 108.0 . . ?
C95 C212 P66 111.4(10) . . ?
C95 C212 H21A 109.3 . . ?
C95 C212 H21B 109.3 . . ?
N40 C164 C38 127.0(10) . . ?
N40 C164 C290 110.6(10) . . ?
C38 C164 C290 122.4(11) . . ?
C124 C220 C148 120.2(6) . . ?
C124 C220 C202 120.0 . . ?
C202 C220 C148 119.7(6) . . ?
C220 C124 H124 120.0 . . ?
C144 C124 C220 120.0 . . ?
C144 C124 H124 120.0 . . ?
C124 C144 C201 119.8(8) . . ?
C56 C144 C124 120.0 . . ?
C56 C144 C201 120.1(8) . . ?
C144 C56 H56 120.0 . . ?
C144 C56 C42 120.0 . . ?
C42 C56 H56 120.0 . . ?
C56 C42 C4 122.2(8) . . ?
C56 C42 C202 120.0 . . ?
C202 C42 C4 117.6(7) . . ?
C220 C202 H202 120.0 . . ?
C42 C202 C220 120.0 . . ?
C42 C202 H202 120.0 . . ?
N40 C156 C216 111.2(10) . . ?
N40 C156 C160 125.2(10) . . ?
C160 C156 C216 123.5(12) . . ?
N54 C194 C308 126.1(14) . . ?
N54 C194 C274 108.6(15) . . ?
C274 C194 C308 125.0(16) . . ?
C198 C226 N44 122.2(15) . . ?
C136 C226 N44 113.2(13) . . ?
C136 C226 C198 124.6(16) . . ?
C132 N126 C280 105.9(15) . . ?
C14 C160 C154 117.2(10) . . ?
C156 C160 C14 125.1(10) . . ?
C156 C160 C154 116.7(10) . . ?
C226 C198 C9 118.0(14) . . ?
C168 C198 C226 124.8(14) . . ?
C168 C198 C9 117.1(14) . . ?
C198 C168 N244 128.1(14) . . ?
C198 C168 C3 125.5(18) . . ?
C3 C168 N244 106.4(15) . . ?
C280 C180 C185 109.5(16) . . ?
C121 C180 C280 128.4(15) . . ?
C121 C180 C185 122.0(17) . . ?
C1 C192 C14 109.5(10) . . ?
C1 C192 H192 125.2 . . ?
C14 C192 H192 125.2 . . ?
C226 C136 H136 127.2 . . ?
C226 C136 C128 105.6(15) . . ?
C128 C136 H136 127.2 . . ?
C136 C128 H128 126.5 . . ?
C136 C128 C346 107.1(14) . . ?
C346 C128 H128 126.5 . . ?
C70 C178 H178 127.1 . . ?
C300 C178 C70 105.9(10) . . ?
C300 C178 H178 127.1 . . ?
N126 C132 C270 124.6(16) . . ?
N126 C132 C252 112.1(16) . . ?
C270 C132 C252 123.0(18) . . ?
C152 C154 C160 118.6(10) . . ?
C152 C154 C254 120.0 . . ?
C254 C154 C160 121.4(10) . . ?
C154 C152 H152 120.0 . . ?
C154 C152 C162 120.0 . . ?
C162 C152 H152 120.0 . . ?
C152 C162 H162 120.0 . . ?
C152 C162 C184 120.0 . . ?
C184 C162 H162 120.0 . . ?
C162 C184 H184 120.0 . . ?
C260 C184 C162 120.0 . . ?
C260 C184 H184 120.0 . . ?
C184 C260 H260 120.0 . . ?
C254 C260 C184 120.0 . . ?
C254 C260 H260 120.0 . . ?
C154 C254 H254 120.0 . . ?
C260 C254 C154 120.0 . . ?
C260 C254 H254 120.0 . . ?
H28A C282 H28B 109.5 . . ?
H28A C282 H28C 109.5 . . ?
H28B C282 H28C 109.5 . . ?
C264 C282 H28A 109.5 . . ?
C264 C282 H28B 109.5 . . ?
C264 C282 H28C 109.5 . . ?
C132 C270 C49 115.5(16) . . ?
C348 C270 C132 126.5(15) . . ?
C348 C270 C49 117.7(16) . . ?
C194 C308 C222 116.8(13) . . ?
C346 C308 C222 117.6(13) . . ?
C346 C308 C194 125.5(13) . . ?
N126 C280 C180 122.7(16) . . ?
N126 C280 C248 107.9(16) . . ?
C180 C280 C248 129.4(18) . . ?
N44 C346 C128 111.5(13) . . ?
N44 C346 C308 125.7(14) . . ?
C308 C346 C128 122.5(15) . . ?
C216 C290 C164 105.6(11) . . ?
C216 C290 H290 127.2 . . ?
C164 C290 H290 127.2 . . ?
P24 C264 H26A 109.1 . . ?
P24 C264 H26B 109.1 . . ?
C282 C264 P24 112.5(10) . . ?
C282 C264 H26A 109.1 . . ?
C282 C264 H26B 109.1 . . ?
H26A C264 H26B 107.8 . . ?
N54 C348 C270 125.1(15) . . ?
N54 C348 C324 107.2(16) . . ?
C270 C348 C324 127.6(18) . . ?
C132 C252 H252 128.3 . . ?
C248 C252 C132 103.4(16) . . ?
C248 C252 H252 128.3 . . ?
C121 N244 C168 106.5(14) . . ?
C348 C324 H324 125.7 . . ?
C274 C324 C348 108.5(17) . . ?
C274 C324 H324 125.7 . . ?
C108 C300 H300 126.5 . . ?
C178 C300 C108 107.0(10) . . ?
C178 C300 H300 126.5 . . ?
O12 C322 O64 121.9(16) . . ?
O12 C322 C232 124.3(12) . . ?
O64 C322 C232 113.6(13) . . ?
P66 C310 H31A 109.2 . . ?
P66 C310 H31B 109.2 . . ?
H31A C310 H31B 107.9 . . ?
C352 C310 P66 112.2(12) . . ?
C352 C310 H31A 109.2 . . ?
C352 C310 H31B 109.2 . . ?
C194 C274 H274 126.9 . . ?
C324 C274 C194 106.2(16) . . ?
C324 C274 H274 126.9 . . ?
C174 C250 C224 109.8(11) . . ?
C174 C250 H250 125.1 . . ?
C224 C250 H250 125.1 . . ?
P24 C328 H32A 108.0 . . ?
P24 C328 H32B 108.0 . . ?
H32A C328 H32B 107.3 . . ?
C243 C328 P24 117.0(12) . . ?
C243 C328 H32A 108.0 . . ?
C243 C328 H32B 108.0 . . ?
C280 C248 H248 124.7 . . ?
C252 C248 C280 110.6(17) . . ?
C252 C248 H248 124.7 . . ?
C3 C296 H296 128.1 . . ?
C3 C296 C121 103.9(16) . . ?
C121 C296 H296 128.1 . . ?
P30 C330 H33A 110.4 . . ?
P30 C330 H33B 110.4 . . ?
H33A C330 H33B 108.6 . . ?
C241 C330 P30 106.7(13) . . ?
C241 C330 H33A 110.4 . . ?
C241 C330 H33B 110.4 . . ?
P66 C342 H34A 108.5 . . ?
P66 C342 H34B 108.5 . . ?
H34A C342 H34B 107.5 . . ?
C361 C342 P66 114.9(11) . . ?
C361 C342 H34A 108.5 . . ?
C361 C342 H34B 108.5 . . ?
O34 C201 O10 127.1(15) . . ?
O34 C201 C144 120.3(14) . . ?
O10 C201 C144 112.5(14) . . ?
C189 C49 C270 120.8(12) . . ?
C189 C49 C53 120.0 . . ?
C53 C49 C270 119.2(12) . . ?
C49 C189 H189 120.0 . . ?
C217 C189 C49 120.0 . . ?
C217 C189 H189 120.0 . . ?
C189 C217 H217 120.0 . . ?
C189 C217 C205 120.0 . . ?
C205 C217 H217 120.0 . . ?
C217 C205 H205 120.0 . . ?
C109 C205 C217 120.0 . . ?
C109 C205 H205 120.0 . . ?
C205 C109 H109 120.0 . . ?
C205 C109 C53 120.0 . . ?
C53 C109 H109 120.0 . . ?
C49 C53 H53 120.0 . . ?
C109 C53 C49 120.0 . . ?
C109 C53 H53 120.0 . . ?
C342 C361 H36A 109.5 . . ?
C342 C361 H36B 109.5 . . ?
C342 C361 H36C 109.5 . . ?
H36A C361 H36B 109.5 . . ?
H36A C361 H36C 109.5 . . ?
H36B C361 H36C 109.5 . . ?
H21C C219 H21D 109.5 . . ?
H21C C219 H21E 109.5 . . ?
H21D C219 H21E 109.5 . . ?
C356 C219 H21C 109.5 . . ?
C356 C219 H21D 109.5 . . ?
C356 C219 H21E 109.5 . . ?
P92 C356 H35A 109.0 . . ?
P92 C356 H35B 109.0 . . ?
C219 C356 P92 113.1(11) . . ?
C219 C356 H35A 109.0 . . ?
C219 C356 H35B 109.0 . . ?
H35A C356 H35B 107.8 . . ?
P24 C27 H27A 108.6 . . ?
P24 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C123 C27 P24 114.5(12) . . ?
C123 C27 H27A 108.6 . . ?
C123 C27 H27B 108.6 . . ?
C212 C95 H95A 109.5 . . ?
C212 C95 H95B 109.5 . . ?
C212 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C168 C3 C296 110.3(17) . . ?
C168 C3 H3 124.9 . . ?
C296 C3 H3 124.9 . . ?
C227 C185 C180 122.0(14) . . ?
C227 C185 C207 120.0 . . ?
C207 C185 C180 117.8(14) . . ?
C185 C227 H227 120.0 . . ?
C185 C227 C7 120.0 . . ?
C7 C227 H227 120.0 . . ?
C227 C7 H7 120.0 . . ?
C51 C7 C227 120.0 . . ?
C51 C7 H7 120.0 . . ?
C7 C51 H51 120.0 . . ?
C7 C51 C115 120.0 . . ?
C115 C51 H51 120.0 . . ?
C51 C115 H115 120.0 . . ?
C207 C115 C51 120.0 . . ?
C207 C115 H115 120.0 . . ?
C185 C207 H207 120.0 . . ?
C115 C207 C185 120.0 . . ?
C115 C207 H207 120.0 . . ?
H23A C231 H23B 109.5 . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.4 . . ?
C199 C231 H23A 109.5 . . ?
C199 C231 H23B 109.5 . . ?
C199 C231 H23C 109.5 . . ?
C310 C352 H35C 109.5 . . ?
C310 C352 H35D 109.5 . . ?
C310 C352 H35E 109.5 . . ?
H35C C352 H35D 109.5 . . ?
H35C C352 H35E 109.5 . . ?
H35D C352 H35E 109.5 . . ?
H35F C358 H35G 109.4 . . ?
H35F C358 H35H 109.5 . . ?
H35G C358 H35H 109.6 . . ?
C167 C358 H35F 106.2 . . ?
C167 C358 H35G 113.6 . . ?
C167 C358 H35H 108.5 . . ?
P30 C199 H19A 109.6 . . ?
P30 C199 H19B 109.6 . . ?
C231 C199 P30 110.4(14) . . ?
C231 C199 H19A 109.6 . . ?
C231 C199 H19B 109.6 . . ?
H19A C199 H19B 108.1 . . ?
P52 C135 H13A 110.4 . . ?
P52 C135 H13B 110.4 . . ?
H13A C135 H13B 108.6 . . ?
C35 C135 P52 106.6(15) . . ?
C35 C135 H13A 110.4 . . ?
C35 C135 H13B 110.4 . . ?
P52 C141 H14A 108.7 . . ?
P52 C141 H14B 108.7 . . ?
H14A C141 H14B 107.6 . . ?
C147 C141 P52 114.2(17) . . ?
C147 C141 H14A 108.7 . . ?
C147 C141 H14B 108.7 . . ?
P94 C261 H26C 107.3 . . ?
P94 C261 H26D 107.3 . . ?
H26C C261 H26D 106.9 . . ?
C41 C261 P94 120.2(16) . . ?
C41 C261 H26C 107.3 . . ?
C41 C261 H26D 107.3 . . ?
C328 C243 H24A 109.5 . . ?
C328 C243 H24B 109.5 . . ?
C328 C243 H24C 109.5 . . ?
H24A C243 H24B 109.5 . . ?
H24A C243 H24C 109.5 . . ?
H24B C243 H24C 109.5 . . ?
C330 C241 H24D 109.5 . . ?
C330 C241 H24E 109.5 . . ?
C330 C241 H24F 109.5 . . ?
H24D C241 H24E 109.5 . . ?
H24D C241 H24F 109.5 . . ?
H24E C241 H24F 109.5 . . ?
P88 C129 H12A 104.3 . . ?
P88 C129 H12B 104.3 . . ?
H12A C129 H12B 105.6 . . ?
C337 C129 P88 132(2) . . ?
C337 C129 H12A 104.3 . . ?
C337 C129 H12B 104.3 . . ?
C27 C123 H12C 109.5 . . ?
C27 C123 H12D 109.5 . . ?
C27 C123 H12E 109.5 . . ?
H12C C123 H12D 109.5 . . ?
H12C C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C180 C121 C296 123.5(18) . . ?
N244 C121 C180 122.4(16) . . ?
N244 C121 C296 113.0(17) . . ?
C245 N61 Pt90 117.4(7) . . ?
C245 N61 C259 120.0 . . ?
C259 N61 Pt90 121.3(7) . . ?
N61 C245 H245 120.0 . . ?
C63 C245 N61 120.0 . . ?
C63 C245 H245 120.0 . . ?
C245 C63 H63 120.0 . . ?
C245 C63 C9 120.0 . . ?
C9 C63 H63 120.0 . . ?
C63 C9 C198 122.5(10) . . ?
C265 C9 C198 117.3(10) . . ?
C265 C9 C63 120.0 . . ?
C9 C265 H265 120.0 . . ?
C9 C265 C259 120.0 . . ?
C259 C265 H265 120.0 . . ?
N61 C259 H259 120.0 . . ?
C265 C259 N61 120.0 . . ?
C265 C259 H259 120.0 . . ?
P94 C69 H69A 110.2 . . ?
P94 C69 H69B 110.2 . . ?
H69A C69 H69B 108.5 . . ?
C255 C69 P94 107.7(19) . . ?
C255 C69 H69A 110.2 . . ?
C255 C69 H69B 110.2 . . ?
P94 C287 H28D 108.6 . . ?
P94 C287 H28E 108.6 . . ?
H28D C287 H28E 107.6 . . ?
C269 C287 P94 114.8(18) . . ?
C269 C287 H28D 108.6 . . ?
C269 C287 H28E 108.6 . . ?
P52 C239 H23D 108.0 . . ?
P52 C239 H23E 108.0 . . ?
H23D C239 H23E 107.2 . . ?
C237 C239 P52 117.4(16) . . ?
C237 C239 H23D 108.0 . . ?
C237 C239 H23E 108.0 . . ?
C69 C255 H25A 109.5 . . ?
C69 C255 H25B 109.5 . . ?
C69 C255 H25C 109.5 . . ?
H25A C255 H25B 109.5 . . ?
H25A C255 H25C 109.5 . . ?
H25B C255 H25C 109.5 . . ?
C287 C269 H26E 109.5 . . ?
C287 C269 H26F 109.5 . . ?
C287 C269 H26G 109.5 . . ?
H26E C269 H26F 109.5 . . ?
H26E C269 H26G 109.5 . . ?
H26F C269 H26G 109.5 . . ?
C135 C35 H35I 109.5 . . ?
C135 C35 H35J 109.5 . . ?
C135 C35 H35K 109.5 . . ?
H35I C35 H35J 109.5 . . ?
H35I C35 H35K 109.5 . . ?
H35J C35 H35K 109.5 . . ?
C141 C147 H14C 106.8 . . ?
C141 C147 H14D 108.0 . . ?
C141 C147 H14E 113.4 . . ?
H14C C147 H14D 109.4 . . ?
H14C C147 H14E 109.6 . . ?
H14D C147 H14E 109.5 . . ?
C239 C237 H23F 102.5 . . ?
C239 C237 H23G 110.8 . . ?
C239 C237 H23H 114.7 . . ?
H23F C237 H23G 109.6 . . ?
H23F C237 H23H 109.5 . . ?
H23G C237 H23H 109.5 . . ?
C261 C41 H41A 109.5 . . ?
C261 C41 H41B 109.5 . . ?
C261 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
P60 C77 H77A 107.9 . . ?
P60 C77 H77B 107.9 . . ?
H77A C77 H77B 107.2 . . ?
C81 C77 P60 117.6(16) . . ?
C81 C77 H77A 107.9 . . ?
C81 C77 H77B 107.9 . . ?
H33C C331 H33D 109.5 . . ?
H33C C331 H33E 109.5 . . ?
H33D C331 H33E 109.5 . . ?
C37 C331 H33C 109.5 . . ?
C37 C331 H33D 109.5 . . ?
C37 C331 H33E 109.5 . . ?
P60 C37 H37A 106.3 . . ?
P60 C37 H37B 106.3 . . ?
C331 C37 P60 124(2) . . ?
C331 C37 H37A 106.3 . . ?
C331 C37 H37B 106.3 . . ?
H37A C37 H37B 106.4 . . ?
P88 C21 H21F 110.5 . . ?
P88 C21 H21G 110.5 . . ?
H21F C21 H21G 108.7 . . ?
C159 C21 P88 106(2) . . ?
C159 C21 H21F 110.5 . . ?
C159 C21 H21G 110.5 . . ?
P88 C345 H34C 109.8 . . ?
P88 C345 H34D 109.8 . . ?
H34C C345 H34D 108.2 . . ?
C301 C345 P88 109(2) . . ?
C301 C345 H34C 109.8 . . ?
C301 C345 H34D 109.8 . . ?
P60 C177 H17A 109.0 . . ?
P60 C177 H17B 109.0 . . ?
H17A C177 H17B 107.8 . . ?
C89 C177 P60 113(2) . . ?
C89 C177 H17A 109.0 . . ?
C89 C177 H17B 109.0 . . ?
C77 C81 H81A 109.5 . . ?
C77 C81 H81B 109.5 . . ?
C77 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C21 C159 H15A 109.7 . . ?
C21 C159 H15B 110.4 . . ?
C21 C159 H15C 108.3 . . ?
H15A C159 H15B 109.5 . . ?
H15A C159 H15C 109.5 . . ?
H15B C159 H15C 109.5 . . ?
C345 C301 H30A 109.5 . . ?
C345 C301 H30B 109.5 . . ?
C345 C301 H30C 109.5 . . ?
H30A C301 H30B 109.5 . . ?
H30A C301 H30C 109.5 . . ?
H30B C301 H30C 109.5 . . ?
P92 C167 H16A 108.4 . . ?
P92 C167 H16B 108.4 . . ?
C358 C167 P92 115.5(16) . . ?
C358 C167 H16A 108.4 . . ?
C358 C167 H16B 108.4 . . ?
H16A C167 H16B 107.5 . . ?
C129 C337 H33F 107.7 . . ?
C129 C337 H33G 109.4 . . ?
C129 C337 H33H 111.1 . . ?
H33F C337 H33G 109.5 . . ?
H33F C337 H33H 109.5 . . ?
H33G C337 H33H 109.5 . . ?
H34E C349 H34F 109.5 . . ?
H34E C349 H34G 109.5 . . ?
H34F C349 H34G 109.5 . . ?
C173 C349 H34E 109.5 . . ?
C173 C349 H34F 109.5 . . ?
C173 C349 H34G 109.5 . . ?
P30 C173 H17C 108.6 . . ?
P30 C173 H17D 108.6 . . ?
C349 C173 P30 114.6(14) . . ?
C349 C173 H17C 108.6 . . ?
C349 C173 H17D 108.6 . . ?
H17C C173 H17D 107.6 . . ?
P92 C79 H79A 109.8 . . ?
P92 C79 H79B 109.8 . . ?
H79A C79 H79B 108.2 . . ?
C175 C79 P92 109.6(16) . . ?
C175 C79 H79A 109.8 . . ?
C175 C79 H79B 109.8 . . ?
C79 C175 H17E 109.5 . . ?
C79 C175 H17F 109.5 . . ?
C79 C175 H17G 109.5 . . ?
H17E C175 H17F 109.5 . . ?
H17E C175 H17G 109.5 . . ?
H17F C175 H17G 109.5 . . ?
C177 C89 H89A 109.5 . . ?
C177 C89 H89B 109.5 . . ?
C177 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 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
Pt32 P24 C264 C282 -179.5(10) . . . . ?
Pt32 P24 C328 C243 74.6(13) . . . . ?
Pt32 P24 C27 C123 -63.5(13) . . . . ?
Pt32 P66 C212 C95 62.6(13) . . . . ?
Pt32 P66 C310 C352 -57.9(15) . . . . ?
Pt32 P66 C342 C361 -169.7(13) . . . . ?
Pt32 O106 C4 O82 -22.3(18) . . . . ?
Pt32 O106 C4 C42 151.7(7) . . . . ?
Pt32 N86 C240 C104 -176.7(5) . . . . ?
Pt32 N86 C210 C204 176.7(5) . . . . ?
Pt58 P94 C261 C41 119.5(18) . . . . ?
Pt58 P94 C69 C255 -177.1(12) . . . . ?
Pt58 P94 C287 C269 -71.5(17) . . . . ?
Pt58 P52 C135 C35 -74.8(18) . . . . ?
Pt58 P52 C141 C147 59.5(19) . . . . ?
Pt58 P52 C239 C237 173(2) . . . . ?
Pt58 O96 C118 O22 7.3(19) . . . . ?
Pt58 O96 C118 C230 -172.2(7) . . . . ?
Pt58 N36 C234 C130 165.1(6) . . . . ?
Pt58 N36 C334 C286 -164.4(6) . . . . ?
Pt28 P30 C199 C231 -63.0(16) . . . . ?
Pt28 P30 C173 C349 -179.3(16) . . . . ?
Pt28 P92 C356 C219 -167.3(13) . . . . ?
Pt28 P92 C167 C358 66.1(19) . . . . ?
Pt28 O64 C322 O12 -25(2) . . . . ?
Pt28 O64 C322 C232 149.5(10) . . . . ?
Pt28 N76 C268 C306 175.1(8) . . . . ?
Pt28 N76 C228 C318 -175.2(8) . . . . ?
Pt90 P60 C37 C331 58(3) . . . . ?
Pt90 P60 C177 C89 -63(2) . . . . ?
Pt90 P88 C129 C337 -172(3) . . . . ?
Pt90 P88 C21 C159 83(2) . . . . ?
Pt90 P88 C345 C301 60(2) . . . . ?
Pt90 O10 C201 O34 4(3) . . . . ?
Pt90 O10 C201 C144 -179.9(9) . . . . ?
Pt90 N61 C245 C63 -166.7(8) . . . . ?
Pt90 N61 C259 C265 166.2(9) . . . . ?
O82 C4 C42 C56 171.0(11) . . . . ?
O82 C4 C42 C202 -3.5(16) . . . . ?
O106 C4 C42 C56 -3.2(13) . . . . ?
O106 C4 C42 C202 -177.7(7) . . . . ?
O96 C118 C230 C78 -160.7(10) . . . . ?
O96 C118 C230 C200 16.9(16) . . . . ?
N68 C70 C178 C300 -4.1(17) . . . . ?
N68 C108 C8 C238 -172.9(13) . . . . ?
N68 C108 C8 C224 -1(3) . . . . ?
N68 C108 C300 C178 -0.9(18) . . . . ?
N86 C240 C104 C16 0.0 . . . . ?
C240 N86 C210 C204 0.0 . . . . ?
C240 C104 C16 C204 0.0 . . . . ?
C240 C104 C16 C84 -179.2(8) . . . . ?
C104 C16 C204 C210 0.0 . . . . ?
C104 C16 C84 C70 -118.2(11) . . . . ?
C104 C16 C84 C26 62.8(13) . . . . ?
C16 C204 C210 N86 0.0 . . . . ?
C16 C84 C70 N68 179.3(12) . . . . ?
C16 C84 C70 C178 4(2) . . . . ?
C16 C84 C26 N100 170.7(11) . . . . ?
C16 C84 C26 C1 -2(2) . . . . ?
C204 C16 C84 C70 62.6(14) . . . . ?
C204 C16 C84 C26 -116.3(11) . . . . ?
C210 N86 C240 C104 0.0 . . . . ?
N40 C164 C290 C216 -3.3(18) . . . . ?
N40 C156 C160 C14 0(3) . . . . ?
N40 C156 C160 C154 -168.1(14) . . . . ?
N98 C146 C174 C250 3.5(19) . . . . ?
N98 C224 C250 C174 -1(2) . . . . ?
N100 C14 C160 C156 12(3) . . . . ?
N100 C14 C160 C154 179.9(14) . . . . ?
N100 C14 C192 C1 2.1(18) . . . . ?
C84 C16 C204 C210 179.1(8) . . . . ?
C84 C70 C178 C300 171.7(14) . . . . ?
C70 N68 C108 C8 175.3(15) . . . . ?
C70 N68 C108 C300 -1.6(16) . . . . ?
C70 C84 C26 N100 -8(2) . . . . ?
C70 C84 C26 C1 179.6(15) . . . . ?
C70 C178 C300 C108 2.9(17) . . . . ?
O22 C118 C230 C78 19.8(17) . . . . ?
O22 C118 C230 C200 -162.6(12) . . . . ?
C108 N68 C70 C84 -172.2(14) . . . . ?
C108 N68 C70 C178 3.5(16) . . . . ?
C108 C8 C224 N98 9(3) . . . . ?
C108 C8 C224 C250 -171.8(17) . . . . ?
C118 C230 C200 C148 -177.5(10) . . . . ?
N54 C194 C308 C222 -177.1(13) . . . . ?
N54 C194 C308 C346 7(3) . . . . ?
N54 C194 C274 C324 4.6(19) . . . . ?
N54 C348 C324 C274 2(2) . . . . ?
N36 C234 C130 C238 0.0 . . . . ?
C234 N36 C334 C286 0.0 . . . . ?
C234 C130 C238 C286 0.0 . . . . ?
C234 C130 C238 C8 179.0(9) . . . . ?
C130 C238 C286 C334 0.0 . . . . ?
C130 C238 C8 C108 109.3(13) . . . . ?
C130 C238 C8 C224 -63.5(16) . . . . ?
C238 C286 C334 N36 0.0 . . . . ?
C238 C8 C224 N98 -179.2(15) . . . . ?
C238 C8 C224 C250 0(3) . . . . ?
C286 C238 C8 C108 -71.7(16) . . . . ?
C286 C238 C8 C224 115.5(13) . . . . ?
C334 N36 C234 C130 0.0 . . . . ?
C8 C108 C300 C178 -177.9(15) . . . . ?
C8 C238 C286 C334 -179.0(9) . . . . ?
C8 C224 C250 C174 179.8(17) . . . . ?
C14 N100 C26 C84 -178.6(14) . . . . ?
C14 N100 C26 C1 -4.9(16) . . . . ?
C14 C160 C154 C152 59.7(17) . . . . ?
C14 C160 C154 C254 -118.9(13) . . . . ?
C38 C46 C120 C20 -179.5(10) . . . . ?
C38 C46 C122 C116 179.5(10) . . . . ?
C38 C146 C174 C250 179.9(17) . . . . ?
C38 C164 C290 C216 179.5(15) . . . . ?
C26 N100 C14 C160 -179.9(15) . . . . ?
C26 N100 C14 C192 1.8(16) . . . . ?
C26 C84 C70 N68 -2(2) . . . . ?
C26 C84 C70 C178 -177.0(15) . . . . ?
C26 C1 C192 C14 -5.1(17) . . . . ?
C4 C42 C202 C220 174.6(9) . . . . ?
N44 C226 C198 C168 -1(2) . . . . ?
N44 C226 C198 C9 -177.1(12) . . . . ?
N44 C226 C136 C128 -3.5(18) . . . . ?
C46 C38 C146 N98 -179.6(15) . . . . ?
C46 C38 C146 C174 5(2) . . . . ?
C46 C38 C164 N40 166.0(14) . . . . ?
C46 C38 C164 C290 -17(2) . . . . ?
C46 C120 C20 C48 0.0 . . . . ?
C120 C46 C122 C116 0.0 . . . . ?
C120 C20 C48 C116 0.0 . . . . ?
C20 C48 C116 C122 0.0 . . . . ?
C48 C116 C122 C46 0.0 . . . . ?
C122 C46 C120 C20 0.0 . . . . ?
N76 C268 C306 C222 0.0 . . . . ?
C268 N76 C228 C318 0.0 . . . . ?
C268 C306 C222 C318 0.0 . . . . ?
C268 C306 C222 C308 178.9(12) . . . . ?
C306 C222 C318 C228 0.0 . . . . ?
C306 C222 C308 C194 -108.2(14) . . . . ?
C306 C222 C308 C346 68.2(15) . . . . ?
C222 C318 C228 N76 0.0 . . . . ?
C222 C308 C346 N44 -175.0(12) . . . . ?
C222 C308 C346 C128 11(2) . . . . ?
C318 C222 C308 C194 70.7(15) . . . . ?
C318 C222 C308 C346 -112.9(13) . . . . ?
C228 N76 C268 C306 0.0 . . . . ?
C148 C74 C232 C78 0.0 . . . . ?
C148 C74 C232 C322 178.5(10) . . . . ?
C148 C220 C124 C144 -176.3(8) . . . . ?
C148 C220 C202 C42 176.3(8) . . . . ?
C74 C148 C200 C230 0.0 . . . . ?
C74 C148 C220 C124 155.3(5) . . . . ?
C74 C148 C220 C202 -21.0(9) . . . . ?
C74 C232 C78 C230 0.0 . . . . ?
C74 C232 C322 O12 -2(2) . . . . ?
C74 C232 C322 O64 -176.1(10) . . . . ?
C232 C78 C230 C118 177.6(10) . . . . ?
C232 C78 C230 C200 0.0 . . . . ?
C78 C232 C322 O12 176.2(13) . . . . ?
C78 C232 C322 O64 2.4(17) . . . . ?
C78 C230 C200 C148 0.0 . . . . ?
C200 C148 C74 C232 0.0 . . . . ?
C200 C148 C220 C124 -29.0(9) . . . . ?
C200 C148 C220 C202 154.7(5) . . . . ?
C216 C156 C160 C14 -177.1(16) . . . . ?
C216 C156 C160 C154 15(2) . . . . ?
C146 N98 C224 C8 -177.4(16) . . . . ?
C146 N98 C224 C250 3.1(19) . . . . ?
C146 C38 C46 C120 121.0(13) . . . . ?
C146 C38 C46 C122 -58.6(16) . . . . ?
C146 C38 C164 N40 -3(3) . . . . ?
C146 C38 C164 C290 173.5(16) . . . . ?
C146 C174 C250 C224 -2(2) . . . . ?
C224 N98 C146 C38 179.6(17) . . . . ?
C224 N98 C146 C174 -4.1(19) . . . . ?
C212 P66 C310 C352 177.1(13) . . . . ?
C212 P66 C342 C361 -51.9(17) . . . . ?
C164 N40 C156 C216 -4.6(17) . . . . ?
C164 N40 C156 C160 178.0(16) . . . . ?
C164 C38 C46 C120 -49.0(17) . . . . ?
C164 C38 C46 C122 131.5(13) . . . . ?
C164 C38 C146 N98 -10(3) . . . . ?
C164 C38 C146 C174 174.0(16) . . . . ?
C220 C148 C74 C232 175.7(8) . . . . ?
C220 C148 C200 C230 -175.7(8) . . . . ?
C220 C124 C144 C56 0.0 . . . . ?
C220 C124 C144 C201 176.7(11) . . . . ?
C124 C220 C202 C42 0.0 . . . . ?
C124 C144 C56 C42 0.0 . . . . ?
C124 C144 C201 O34 -151.5(13) . . . . ?
C124 C144 C201 O10 32.5(18) . . . . ?
C144 C56 C42 C4 -174.3(9) . . . . ?
C144 C56 C42 C202 0.0 . . . . ?
C56 C144 C201 O34 25(2) . . . . ?
C56 C144 C201 O10 -150.7(11) . . . . ?
C56 C42 C202 C220 0.0 . . . . ?
C202 C220 C124 C144 0.0 . . . . ?
C156 N40 C164 C38 -178.1(16) . . . . ?
C156 N40 C164 C290 4.9(17) . . . . ?
C156 C216 C290 C164 0.4(18) . . . . ?
C156 C160 C154 C152 -131.2(13) . . . . ?
C156 C160 C154 C254 50.2(17) . . . . ?
C194 N54 C348 C270 176.3(16) . . . . ?
C194 N54 C348 C324 0.6(18) . . . . ?
C194 C308 C346 N44 1(3) . . . . ?
C194 C308 C346 C128 -173.4(15) . . . . ?
C226 N44 C346 C128 0.3(16) . . . . ?
C226 N44 C346 C308 -174.6(14) . . . . ?
C226 C198 C168 N244 -5(3) . . . . ?
C226 C198 C168 C3 175.7(16) . . . . ?
C226 C198 C9 C63 -57.3(17) . . . . ?
C226 C198 C9 C265 117.7(13) . . . . ?
C226 C136 C128 C346 3.5(17) . . . . ?
N126 C132 C270 C348 -5(3) . . . . ?
N126 C132 C270 C49 -178.5(14) . . . . ?
N126 C132 C252 C248 2.7(18) . . . . ?
N126 C280 C248 C252 1(2) . . . . ?
C160 C14 C192 C1 -176.2(15) . . . . ?
C160 C154 C152 C162 -178.7(11) . . . . ?
C160 C154 C254 C260 178.6(12) . . . . ?
C198 C226 C136 C128 177.4(14) . . . . ?
C198 C168 N244 C121 -177.2(17) . . . . ?
C198 C168 C3 C296 177.5(17) . . . . ?
C198 C9 C265 C259 -175.1(12) . . . . ?
C168 C198 C9 C63 126.1(13) . . . . ?
C168 C198 C9 C265 -58.9(17) . . . . ?
C168 N244 C121 C180 166.8(18) . . . . ?
C168 N244 C121 C296 -1(2) . . . . ?
C180 C280 C248 C252 179.3(18) . . . . ?
C180 C185 C227 C7 -174.8(18) . . . . ?
C180 C185 C207 C115 175.1(17) . . . . ?
C192 C1 C26 N100 6.0(16) . . . . ?
C192 C1 C26 C84 179.5(15) . . . . ?
C192 C14 C160 C156 -170.1(16) . . . . ?
C192 C14 C160 C154 -2(2) . . . . ?
C136 C226 C198 C168 178.3(16) . . . . ?
C136 C226 C198 C9 2(2) . . . . ?
C136 C128 C346 N44 -2.4(17) . . . . ?
C136 C128 C346 C308 172.7(14) . . . . ?
C132 N126 C280 C180 -177.7(16) . . . . ?
C132 N126 C280 C248 0.4(18) . . . . ?
C132 C270 C348 N54 4(3) . . . . ?
C132 C270 C348 C324 178.6(17) . . . . ?
C132 C270 C49 C189 -101.6(17) . . . . ?
C132 C270 C49 C53 78.6(18) . . . . ?
C132 C252 C248 C280 -2.4(18) . . . . ?
C154 C152 C162 C184 0.0 . . . . ?
C152 C154 C254 C260 0.0 . . . . ?
C152 C162 C184 C260 0.0 . . . . ?
C162 C184 C260 C254 0.0 . . . . ?
C184 C260 C254 C154 0.0 . . . . ?
C254 C154 C152 C162 0.0 . . . . ?
C270 C132 C252 C248 177.1(15) . . . . ?
C270 C348 C324 C274 -173.2(17) . . . . ?
C270 C49 C189 C217 -179.8(18) . . . . ?
C270 C49 C53 C109 179.8(18) . . . . ?
C308 C222 C318 C228 -178.9(11) . . . . ?
C308 C194 C274 C324 -169.7(16) . . . . ?
C280 N126 C132 C270 -176.3(15) . . . . ?
C280 N126 C132 C252 -2.0(18) . . . . ?
C280 C180 C185 C227 -82.4(19) . . . . ?
C280 C180 C185 C207 102.6(17) . . . . ?
C280 C180 C121 N244 11(3) . . . . ?
C280 C180 C121 C296 178.3(18) . . . . ?
C346 N44 C226 C198 -178.9(14) . . . . ?
C346 N44 C226 C136 2.0(16) . . . . ?
C290 C216 C156 N40 2.7(19) . . . . ?
C290 C216 C156 C160 -179.9(16) . . . . ?
C264 P24 C328 C243 -60.4(14) . . . . ?
C264 P24 C27 C123 69.4(13) . . . . ?
C348 N54 C194 C308 171.0(15) . . . . ?
C348 N54 C194 C274 -3.2(18) . . . . ?
C348 C270 C49 C189 83.9(18) . . . . ?
C348 C270 C49 C53 -95.9(17) . . . . ?
C348 C324 C274 C194 -4(2) . . . . ?
C252 C132 C270 C348 -178.3(16) . . . . ?
C252 C132 C270 C49 8(2) . . . . ?
N244 C168 C3 C296 -2(2) . . . . ?
C300 C108 C8 C238 4(2) . . . . ?
C300 C108 C8 C224 175.7(16) . . . . ?
C322 C232 C78 C230 -178.4(11) . . . . ?
C310 P66 C212 C95 -166.3(13) . . . . ?
C310 P66 C342 C361 59.7(17) . . . . ?
C274 C194 C308 C222 -4(2) . . . . ?
C274 C194 C308 C346 -179.9(15) . . . . ?
C328 P24 C264 C282 -53.2(14) . . . . ?
C328 P24 C27 C123 -178.4(12) . . . . ?
C330 P30 C199 C231 169.8(15) . . . . ?
C330 P30 C173 C349 -55(2) . . . . ?
C342 P66 C212 C95 -56.4(14) . . . . ?
C342 P66 C310 C352 67.4(15) . . . . ?
C201 C144 C56 C42 -176.7(11) . . . . ?
C49 C270 C348 N54 177.6(14) . . . . ?
C49 C270 C348 C324 -8(3) . . . . ?
C49 C189 C217 C205 0.0 . . . . ?
C189 C49 C53 C109 0.0 . . . . ?
C189 C217 C205 C109 0.0 . . . . ?
C217 C205 C109 C53 0.0 . . . . ?
C205 C109 C53 C49 0.0 . . . . ?
C53 C49 C189 C217 0.0 . . . . ?
C356 P92 C167 C358 -61(2) . . . . ?
C27 P24 C264 C282 58.1(14) . . . . ?
C27 P24 C328 C243 -172.1(12) . . . . ?
C3 C168 N244 C121 1.8(19) . . . . ?
C3 C296 C121 C180 -167.6(19) . . . . ?
C3 C296 C121 N244 1(2) . . . . ?
C185 C180 C280 N126 177.6(15) . . . . ?
C185 C180 C280 C248 0(3) . . . . ?
C185 C180 C121 N244 -173.3(16) . . . . ?
C185 C180 C121 C296 -6(3) . . . . ?
C185 C227 C7 C51 0.0 . . . . ?
C227 C185 C207 C115 0.0 . . . . ?
C227 C7 C51 C115 0.0 . . . . ?
C7 C51 C115 C207 0.0 . . . . ?
C51 C115 C207 C185 0.0 . . . . ?
C207 C185 C227 C7 0.0 . . . . ?
C199 P30 C173 C349 55(2) . . . . ?
C135 P52 C141 C147 -173.4(18) . . . . ?
C135 P52 C239 C237 40(3) . . . . ?
C141 P52 C135 C35 165.1(17) . . . . ?
C141 P52 C239 C237 -66(3) . . . . ?
C261 P94 C69 C255 -47.9(17) . . . . ?
C261 P94 C287 C269 167.7(15) . . . . ?
C129 P88 C21 C159 -56(2) . . . . ?
C129 P88 C345 C301 -171(2) . . . . ?
C121 C180 C280 N126 -6(3) . . . . ?
C121 C180 C280 C248 176(2) . . . . ?
C121 C180 C185 C227 101(2) . . . . ?
C121 C180 C185 C207 -74(2) . . . . ?
C121 C296 C3 C168 1(2) . . . . ?
N61 C245 C63 C9 0.0 . . . . ?
C245 N61 C259 C265 0.0 . . . . ?
C245 C63 C9 C198 174.9(13) . . . . ?
C245 C63 C9 C265 0.0 . . . . ?
C63 C9 C265 C259 0.0 . . . . ?
C9 C198 C168 N244 171.0(14) . . . . ?
C9 C198 C168 C3 -8(3) . . . . ?
C9 C265 C259 N61 0.0 . . . . ?
C259 N61 C245 C63 0.0 . . . . ?
C69 P94 C261 C41 -11(2) . . . . ?
C69 P94 C287 C269 55.9(17) . . . . ?
C287 P94 C261 C41 -119.1(19) . . . . ?
C287 P94 C69 C255 56.6(16) . . . . ?
C239 P52 C135 C35 53.6(19) . . . . ?
C239 P52 C141 C147 -62(2) . . . . ?
C77 P60 C37 C331 -61(3) . . . . ?
C77 P60 C177 C89 55(2) . . . . ?
C37 P60 C177 C89 170(2) . . . . ?
C21 P88 C129 C337 -37(4) . . . . ?
C21 P88 C345 C301 -60(2) . . . . ?
C345 P88 C129 C337 64(4) . . . . ?
C345 P88 C21 C159 -156(2) . . . . ?
C177 P60 C37 C331 -169(2) . . . . ?
C167 P92 C356 C219 -44.8(19) . . . . ?
C173 P30 C199 C231 60.5(17) . . . . ?
C79 P92 C356 C219 66.9(18) . . . . ?
C79 P92 C167 C358 -169.9(17) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 4622 electrons were 
found in a volume of 16109Å³ in 1 void per unit cell. 
This is consistent with the presence of 
16[C2H3N], 5[C6H14O] per Asymmetric Unit 
which account for 5136 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.432 -0.309 -0.040 16109.2 4622.4 '128 C2H3N,40 C6H14O'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.54(3)
2 0.46(3)

