# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_sc3n@cs(51365)-c84
_database_code_depnum_ccdc_archive 'CCDC 2178354'
loop_
_audit_author_name
_audit_author_address
'Fu Ze'
;Soochow University
China
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2022-08-02 downloaded from the CCDC.
;
_audit_creation_date             2021-03-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 N Sc3, C36 H44 N4 Ni'
_chemical_formula_sum            'C120 H44 N5 Ni Sc3'
_chemical_formula_weight         1749.19
_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 0.0150 0.0070 '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 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -1.3410 3.2900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.4030 1.2600 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.6460(18)
_cell_length_b                   14.9090(19)
_cell_length_c                   19.743(3)
_cell_angle_alpha                85.084(7)
_cell_angle_beta                 88.542(7)
_cell_angle_gamma                62.548(7)
_cell_volume                     3811.0(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9729
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      51.92
_cell_measurement_theta_min      3.37
_shelx_estimated_absorpt_T_max   0.810
_shelx_estimated_absorpt_T_min   0.704
_exptl_absorpt_coefficient_mu    3.152
_exptl_absorpt_correction_T_max  0.802
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1517 before and 0.1054 after correction. The Ratio of minimum to maximum transmission is 0.7753. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            90145
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        52.000
_diffrn_reflns_theta_max         52.000
_diffrn_reflns_theta_min         1.954
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9662
_reflns_number_total             12883
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.735
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       0.0033(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1199
_refine_ls_number_reflns         12883
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1245
_refine_ls_R_factor_gt           0.1038
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1800P)²+15.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2927
_refine_ls_wR_factor_ref         0.3112
_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. Others
 Sof(Sc1B)=Sof(Sc2B)=Sof(Sc3B)=1-FVAR(1)
 Sof(Sc1A)=Sof(Sc2A)=Sof(Sc3A)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C21P(H21A,H21B), C23P(H23A,H23B), C25P(H25A,H25B), C27P(H27A,H27B), C29P(H29A,
 H29B), C31P(H31A,H31B), C33P(H33A,H33B), C35P(H35A,H35B)
3.b Aromatic/amide H refined with riding coordinates:
 C2P(H2P), C7P(H7P), C12P(H12P), C17P(H17P)
3.c Idealised Me refined as rotating group:
 C22P(H22A,H22B,H22C), C24P(H24A,H24B,H24C), C26P(H26A,H26B,H26C), C28P(H28A,
 H28B,H28C), C30P(H30A,H30B,H30C), C32P(H32A,H32B,H32C), C34P(H34A,H34B,H34C),
 C36P(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_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
Sc1A Sc 0.33526(15) 0.28213(14) 0.58546(8) 0.0441(6) Uani 0.746(4) 1 d . . P A
1
Sc2A Sc 0.21829(13) 0.49588(12) 0.68470(9) 0.0395(5) Uani 0.746(4) 1 d . . P A
1
Sc3A Sc 0.3583(2) 0.25333(17) 0.76742(11) 0.0525(6) Uani 0.746(4) 1 d . . P A 1
N1 N 0.2963(5) 0.3362(4) 0.6813(3) 0.0461(13) Uani 1 1 d . . . . .
C1 C 0.1169(10) 0.6684(8) 0.6550(7) 0.094(4) Uani 1 1 d . . . . .
C2 C 0.1702(8) 0.6276(7) 0.5938(5) 0.074(3) Uani 1 1 d . . . . .
C3 C 0.2805(10) 0.6015(7) 0.6121(6) 0.083(3) Uani 1 1 d . . . . .
C4 C 0.2898(9) 0.6100(7) 0.6818(6) 0.079(3) Uani 1 1 d . . . . .
C5 C 0.1875(9) 0.6549(7) 0.7063(6) 0.078(3) Uani 1 1 d . . . . .
C6 C 0.1646(9) 0.6136(7) 0.7717(6) 0.082(3) Uani 1 1 d . . . . .
C7 C 0.0682(7) 0.6109(6) 0.7566(6) 0.076(3) Uani 1 1 d . . . . .
C8 C 0.0491(8) 0.6336(6) 0.6850(6) 0.076(3) Uani 1 1 d . . . . .
C9 C 0.0207(7) 0.5713(6) 0.6470(5) 0.068(2) Uani 1 1 d . . . . .
C10 C 0.0741(7) 0.5344(8) 0.5813(5) 0.076(3) Uani 1 1 d . . . . .
C11 C 0.1496(8) 0.5677(7) 0.5588(6) 0.078(3) Uani 1 1 d . . . . .
C12 C 0.2273(7) 0.5086(7) 0.5165(4) 0.063(2) Uani 1 1 d . . . . .
C13 C 0.3323(7) 0.4883(6) 0.5213(4) 0.057(2) Uani 1 1 d . . . . .
C14 C 0.3632(8) 0.5291(7) 0.5746(5) 0.067(2) Uani 1 1 d . . . . .
C15 C 0.4560(8) 0.4687(8) 0.6087(5) 0.071(2) Uani 1 1 d . . . . .
C16 C 0.4591(7) 0.4645(8) 0.6822(5) 0.066(2) Uani 1 1 d . . . . .
C17 C 0.3724(8) 0.5291(7) 0.7180(6) 0.077(3) Uani 1 1 d . . . . .
C18 C 0.3507(7) 0.4839(8) 0.7854(5) 0.070(3) Uani 1 1 d . . . . .
C19 C 0.2428(9) 0.5366(8) 0.8069(5) 0.080(3) Uani 1 1 d . . . . .
C20 C 0.2096(8) 0.4784(8) 0.8541(4) 0.070(2) Uani 1 1 d . . . . .
C21 C 0.1106(7) 0.4833(7) 0.8486(4) 0.062(2) Uani 1 1 d . . . . .
C22 C 0.0428(7) 0.5424(6) 0.7952(5) 0.060(2) Uani 1 1 d . . . . .
C23 C -0.0111(6) 0.5012(6) 0.7592(4) 0.0566(19) Uani 1 1 d . . . . .
C24 C -0.0168(7) 0.5139(6) 0.6862(5) 0.064(2) Uani 1 1 d . . . . .
C25 C -0.0157(6) 0.4260(7) 0.6613(5) 0.063(2) Uani 1 1 d . . . . .
C26 C 0.0307(7) 0.3885(8) 0.6009(5) 0.069(2) Uani 1 1 d . . . . .
C27 C 0.0765(7) 0.4389(7) 0.5623(4) 0.066(2) Uani 1 1 d . . . . .
C28 C 0.1614(7) 0.3800(7) 0.5136(4) 0.065(2) Uani 1 1 d . . . . .
C29 C 0.2296(8) 0.4152(8) 0.4891(4) 0.075(3) Uani 1 1 d . . . . .
C30 C 0.3342(7) 0.3501(7) 0.4748(4) 0.064(2) Uani 1 1 d . . . . .
C31 C 0.3998(7) 0.3898(7) 0.5020(4) 0.059(2) Uani 1 1 d . . . . .
C32 C 0.4947(7) 0.3270(7) 0.5363(5) 0.067(2) Uani 1 1 d . . . . .
C33 C 0.5226(7) 0.3729(8) 0.5901(4) 0.068(2) Uani 1 1 d . . . . .
C34 C 0.5746(7) 0.3115(8) 0.6517(5) 0.073(2) Uani 1 1 d . . . . .
C35 C 0.5278(7) 0.3661(8) 0.7079(5) 0.066(2) Uani 1 1 d . . . . .
C36 C 0.5077(7) 0.3247(7) 0.7711(5) 0.069(2) Uani 1 1 d . . . . .
C37 C 0.4208(8) 0.3837(9) 0.8074(4) 0.071(3) Uani 1 1 d . . . . .
C38 C 0.3851(8) 0.3279(9) 0.8622(4) 0.075(3) Uani 1 1 d . . . . .
C39 C 0.2834(9) 0.3737(9) 0.8787(4) 0.076(3) Uani 1 1 d . . . . .
C40 C 0.2226(7) 0.3198(7) 0.8951(4) 0.062(2) Uani 1 1 d . . . . .
C41 C 0.1191(7) 0.3847(7) 0.8715(4) 0.066(2) Uani 1 1 d . . . . .
C42 C 0.0609(7) 0.3462(7) 0.8391(5) 0.064(2) Uani 1 1 d . . . . .
C43 C -0.0041(6) 0.4056(6) 0.7821(4) 0.057(2) Uani 1 1 d . . . . .
C44 C -0.0121(6) 0.3578(7) 0.7221(5) 0.066(2) Uani 1 1 d . . . . .
C45 C 0.0346(7) 0.2532(7) 0.7193(5) 0.064(2) Uani 1 1 d . . . . .
C46 C 0.0664(7) 0.2185(8) 0.6555(5) 0.065(2) Uani 1 1 d . . . . .
C47 C 0.0679(7) 0.2786(7) 0.5960(5) 0.065(2) Uani 1 1 d . . . . .
C48 C 0.1482(8) 0.2240(8) 0.5561(5) 0.070(3) Uani 1 1 d . . . . .
C49 C 0.1942(8) 0.2766(9) 0.5110(4) 0.075(3) Uani 1 1 d . . . . .
C50 C 0.2978(8) 0.2093(7) 0.4956(4) 0.069(2) Uani 1 1 d . . . . .
C51 C 0.3714(8) 0.2452(7) 0.4781(4) 0.069(2) Uani 1 1 d . . . . .
C52 C 0.4700(8) 0.1791(7) 0.5122(4) 0.068(2) Uani 1 1 d . . . . .
C53 C 0.5299(7) 0.2180(7) 0.5423(4) 0.063(2) Uani 1 1 d . . . . .
C54 C 0.5908(6) 0.1584(7) 0.6007(4) 0.064(2) Uani 1 1 d . . . . .
C55 C 0.6081(7) 0.2068(8) 0.6547(6) 0.074(3) Uani 1 1 d . . . . .
C56 C 0.6041(6) 0.1565(7) 0.7213(5) 0.068(2) Uani 1 1 d . . . . .
C57 C 0.5598(7) 0.2095(9) 0.7773(5) 0.081(3) Uani 1 1 d . . . . .
C58 C 0.5227(8) 0.1634(8) 0.8244(5) 0.079(3) Uani 1 1 d . . . . .
C59 C 0.4333(7) 0.2248(8) 0.8714(4) 0.067(2) Uani 1 1 d . . . . .
C60 C 0.3772(7) 0.1648(7) 0.8823(4) 0.065(2) Uani 1 1 d . . . . .
C61 C 0.2680(7) 0.2165(7) 0.8916(4) 0.063(2) Uani 1 1 d . . . . .
C62 C 0.2070(7) 0.1740(7) 0.8644(4) 0.062(2) Uani 1 1 d . . . . .
C63 C 0.1061(6) 0.2392(6) 0.8378(4) 0.060(2) Uani 1 1 d . . . . .
C64 C 0.0877(7) 0.1963(8) 0.7797(4) 0.066(2) Uani 1 1 d . . . . .
C65 C 0.1830(9) 0.0965(8) 0.7736(5) 0.079(3) Uani 1 1 d . . . . .
C66 C 0.2145(9) 0.0612(7) 0.7095(6) 0.082(3) Uani 1 1 d . . . . .
C67 C 0.1580(9) 0.1160(8) 0.6501(6) 0.080(3) Uani 1 1 d . . . . .
C68 C 0.1999(8) 0.1269(7) 0.5847(5) 0.068(2) Uani 1 1 d . . . . .
C69 C 0.3099(10) 0.0671(8) 0.5781(6) 0.083(3) Uani 1 1 d . . . . .
C70 C 0.3571(9) 0.1085(8) 0.5352(5) 0.085(3) Uani 1 1 d . . . . .
C71 C 0.4599(7) 0.0934(7) 0.5457(5) 0.070(2) Uani 1 1 d . . . . .
C72 C 0.5194(7) 0.0375(6) 0.6058(5) 0.063(2) Uani 1 1 d . . . . .
C73 C 0.5840(6) 0.0713(6) 0.6311(5) 0.062(2) Uani 1 1 d . . . . .
C74 C 0.5951(6) 0.0687(7) 0.7032(5) 0.069(2) Uani 1 1 d . . . . .
C75 C 0.5447(7) 0.0289(6) 0.7484(5) 0.066(2) Uani 1 1 d . . . . .
C76 C 0.5121(7) 0.0747(7) 0.8093(4) 0.063(2) Uani 1 1 d . . . . .
C77 C 0.4222(8) 0.0806(7) 0.8459(5) 0.073(3) Uani 1 1 d . . . . .
C78 C 0.3610(8) 0.0378(7) 0.8175(5) 0.076(3) Uani 1 1 d . . . . .
C79 C 0.2547(7) 0.0858(7) 0.8283(5) 0.065(2) Uani 1 1 d . . . . .
C80 C 0.3963(8) -0.0103(6) 0.7551(6) 0.075(3) Uani 1 1 d . . . . .
C81 C 0.3208(9) 0.0026(6) 0.7025(7) 0.087(3) Uani 1 1 d . . . . .
C82 C 0.3717(9) 0.0031(6) 0.6351(6) 0.076(3) Uani 1 1 d . . . . .
C83 C 0.4730(7) -0.0106(6) 0.6501(5) 0.067(2) Uani 1 1 d . . . . .
C84 C 0.4866(7) -0.0152(6) 0.7216(5) 0.069(2) Uani 1 1 d . . . . .
Ni1P Ni 0.47674(6) 0.48189(6) 0.91633(4) 0.0314(3) Uani 1 1 d . . . B 3
N1P N 0.5312(4) 0.5363(4) 0.8414(3) 0.0355(11) Uani 1 1 d . . . B 3
N2P N 0.6021(4) 0.3523(4) 0.9177(2) 0.0293(10) Uani 1 1 d . . . B 3
N3P N 0.4209(4) 0.4260(4) 0.9890(3) 0.0338(11) Uani 1 1 d . . . B 3
N4P N 0.3489(4) 0.6104(4) 0.9130(2) 0.0298(11) Uani 1 1 d . . . B 3
C1P C 0.6250(5) 0.4875(5) 0.8103(3) 0.0358(13) Uani 1 1 d . . . B 3
C2P C 0.6988(5) 0.3907(5) 0.8285(3) 0.0352(13) Uani 1 1 d . . . B 3
H2P H 0.762348 0.366737 0.805357 0.042 Uiso 1 1 calc R . . B 3
C3P C 0.6880(5) 0.3269(5) 0.8767(3) 0.0354(13) Uani 1 1 d . . . B 3
C4P C 0.7651(5) 0.2234(5) 0.8932(3) 0.0393(14) Uani 1 1 d . . . B 3
C5P C 0.7259(5) 0.1822(5) 0.9449(3) 0.0380(14) Uani 1 1 d . . . B 3
C6P C 0.6256(5) 0.2637(4) 0.9589(3) 0.0342(13) Uani 1 1 d . . . B 3
C7P C 0.5618(5) 0.2539(4) 1.0080(3) 0.0341(13) Uani 1 1 d . . . B 3
H7P H 0.585903 0.190789 1.034503 0.041 Uiso 1 1 calc R . . B 3
C8P C 0.4656(5) 0.3290(5) 1.0212(3) 0.0340(13) Uani 1 1 d . . . B 3
C9P C 0.3970(5) 0.3154(5) 1.0701(3) 0.0340(13) Uani 1 1 d . . . B 3
C10P C 0.3096(5) 0.4047(5) 1.0682(3) 0.0357(14) Uani 1 1 d . . . B 3
C11P C 0.3240(5) 0.4726(5) 1.0181(3) 0.0337(13) Uani 1 1 d . . . B 3
C12P C 0.2509(5) 0.5704(5) 1.0010(3) 0.0363(14) Uani 1 1 d . . . B 3
H12P H 0.188128 0.595065 1.025151 0.044 Uiso 1 1 calc R . . B 3
C13P C 0.2619(5) 0.6350(5) 0.9517(3) 0.0342(13) Uani 1 1 d . . . B 3
C14P C 0.1821(5) 0.7362(5) 0.9325(3) 0.0362(13) Uani 1 1 d . . . B 3
C15P C 0.2210(5) 0.7749(5) 0.8808(3) 0.0365(14) Uani 1 1 d . . . B 3
C16P C 0.3226(5) 0.6968(5) 0.8692(3) 0.0353(13) Uani 1 1 d . . . B 3
C17P C 0.3878(5) 0.7070(4) 0.8197(3) 0.0343(13) Uani 1 1 d . . . B 3
H17P H 0.364334 0.770492 0.793678 0.041 Uiso 1 1 calc R . . B 3
C18P C 0.4831(5) 0.6316(5) 0.8062(3) 0.0353(13) Uani 1 1 d . . . B 3
C19P C 0.5486(5) 0.6413(5) 0.7528(3) 0.0345(13) Uani 1 1 d . . . B 3
C20P C 0.6357(5) 0.5524(5) 0.7549(3) 0.0347(13) Uani 1 1 d . . . B 3
C21P C 0.7268(5) 0.5201(5) 0.7083(3) 0.0404(14) Uani 1 1 d . . . B 3
H21A H 0.724372 0.580988 0.682278 0.048 Uiso 1 1 calc R . . B 3
H21B H 0.790961 0.487909 0.736111 0.048 Uiso 1 1 calc R . . B 3
C22P C 0.7298(6) 0.4468(5) 0.6590(3) 0.0462(16) Uani 1 1 d . . . B 3
H22A H 0.668238 0.479393 0.629666 0.069 Uiso 1 1 calc GR . . B 3
H22B H 0.731859 0.386429 0.684408 0.069 Uiso 1 1 calc GR . . B 3
H22C H 0.791322 0.426957 0.631092 0.069 Uiso 1 1 calc GR . . B 3
C23P C 0.8648(5) 0.1718(5) 0.8569(4) 0.0444(15) Uani 1 1 d . . . B 3
H23A H 0.912267 0.110452 0.885332 0.053 Uiso 1 1 calc R . . B 3
H23B H 0.896520 0.217938 0.851142 0.053 Uiso 1 1 calc R . . B 3
C24P C 0.8520(6) 0.1409(6) 0.7865(4) 0.058(2) Uani 1 1 d . . . B 3
H24A H 0.805182 0.201292 0.758080 0.087 Uiso 1 1 calc GR . . B 3
H24B H 0.823462 0.092814 0.792047 0.087 Uiso 1 1 calc GR . . B 3
H24C H 0.919159 0.108926 0.764819 0.087 Uiso 1 1 calc GR . . B 3
C25P C 0.7721(6) 0.0789(5) 0.9787(4) 0.0459(16) Uani 1 1 d . . . B 3
H25A H 0.760374 0.083135 1.028207 0.055 Uiso 1 1 calc R . . B 3
H25B H 0.847323 0.046534 0.971701 0.055 Uiso 1 1 calc R . . B 3
C26P C 0.7288(6) 0.0111(5) 0.9530(4) 0.0531(18) Uani 1 1 d . . . B 3
H26A H 0.747067 -0.000092 0.905233 0.080 Uiso 1 1 calc GR . . B 3
H26B H 0.653763 0.044528 0.956982 0.080 Uiso 1 1 calc GR . . B 3
H26C H 0.758143 -0.054216 0.980310 0.080 Uiso 1 1 calc GR . . B 3
C27P C 0.4185(6) 0.2168(5) 1.1102(3) 0.0416(15) Uani 1 1 d . . . B 3
H27A H 0.376977 0.231240 1.151947 0.050 Uiso 1 1 calc R . . B 3
H27B H 0.492079 0.180689 1.124101 0.050 Uiso 1 1 calc R . . B 3
C28P C 0.3933(7) 0.1491(6) 1.0689(4) 0.0549(19) Uani 1 1 d . . . B 3
H28A H 0.435480 0.133366 1.028032 0.082 Uiso 1 1 calc GR . . B 3
H28B H 0.320287 0.184294 1.055552 0.082 Uiso 1 1 calc GR . . B 3
H28C H 0.407787 0.085944 1.096435 0.082 Uiso 1 1 calc GR . . B 3
C29P C 0.2091(5) 0.4289(5) 1.1044(3) 0.0422(15) Uani 1 1 d . . . B 3
H29A H 0.223132 0.381665 1.145696 0.051 Uiso 1 1 calc R . . B 3
H29B H 0.179357 0.498643 1.118786 0.051 Uiso 1 1 calc R . . B 3
C30P C 0.1318(6) 0.4201(6) 1.0595(4) 0.0542(18) Uani 1 1 d . . . B 3
H30A H 0.117235 0.467122 1.018683 0.081 Uiso 1 1 calc GR . . B 3
H30B H 0.068070 0.436893 1.084495 0.081 Uiso 1 1 calc GR . . B 3
H30C H 0.160129 0.350517 1.046228 0.081 Uiso 1 1 calc GR . . B 3
C31P C 0.0779(5) 0.7833(5) 0.9647(4) 0.0464(16) Uani 1 1 d . . . B 3
H31A H 0.046985 0.857937 0.956071 0.056 Uiso 1 1 calc R . . B 3
H31B H 0.086578 0.766676 1.014531 0.056 Uiso 1 1 calc R . . B 3
C32P C 0.0046(6) 0.7479(7) 0.9385(5) 0.063(2) Uani 1 1 d . . . B 3
H32A H -0.001924 0.761079 0.888949 0.094 Uiso 1 1 calc GR . . B 3
H32B H -0.063003 0.784635 0.958893 0.094 Uiso 1 1 calc GR . . B 3
H32C H 0.031450 0.674958 0.950786 0.094 Uiso 1 1 calc GR . . B 3
C33P C 0.1699(6) 0.8775(5) 0.8427(4) 0.0449(16) Uani 1 1 d . . . B 3
H33A H 0.221006 0.903455 0.836015 0.054 Uiso 1 1 calc R . . B 3
H33B H 0.114348 0.924155 0.871036 0.054 Uiso 1 1 calc R . . B 3
C34P C 0.1244(6) 0.8803(6) 0.7740(4) 0.0518(17) Uani 1 1 d . . . B 3
H34A H 0.179689 0.840481 0.743641 0.078 Uiso 1 1 calc GR . . B 3
H34B H 0.087857 0.950693 0.754351 0.078 Uiso 1 1 calc GR . . B 3
H34C H 0.076177 0.851613 0.779514 0.078 Uiso 1 1 calc GR . . B 3
C35P C 0.5168(6) 0.7334(5) 0.7021(3) 0.0421(15) Uani 1 1 d . . . B 3
H35A H 0.578908 0.731280 0.679672 0.051 Uiso 1 1 calc R . . B 3
H35B H 0.484359 0.795578 0.726682 0.051 Uiso 1 1 calc R . . B 3
C36P C 0.4415(6) 0.7385(5) 0.6479(3) 0.0459(16) Uani 1 1 d . . . B 3
H36A H 0.424726 0.797999 0.615678 0.069 Uiso 1 1 calc GR . . B 3
H36B H 0.378477 0.743954 0.669604 0.069 Uiso 1 1 calc GR . . B 3
H36C H 0.473091 0.676966 0.623519 0.069 Uiso 1 1 calc GR . . B 3
Sc1B Sc 0.2535(6) 0.3534(6) 0.5861(3) 0.066(2) Uani 0.254(4) 1 d . . P A 2
Sc2B Sc 0.2038(6) 0.4640(6) 0.7429(4) 0.073(2) Uani 0.254(4) 1 d . . P A 2
Sc3B Sc 0.4138(7) 0.2243(7) 0.7353(5) 0.084(3) Uani 0.254(4) 1 d . . P A 2


_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
Sc1A N1 2.083(6) . ?
Sc1A C28 2.652(8) . ?
Sc1A C29 2.573(9) . ?
Sc1A C30 2.326(8) . ?
Sc1A C31 2.656(8) . ?
Sc1A C49 2.601(8) . ?
Sc1A C50 2.357(8) . ?
Sc1A C51 2.225(8) . ?
Sc1A C52 2.405(8) . ?
Sc1A C53 2.696(9) . ?
Sc1A C70 2.730(9) . ?
Sc1A C71 2.726(8) . ?
Sc2A N1 2.120(6) . ?
Sc2A C1 2.330(11) . ?
Sc2A C2 2.399(9) . ?
Sc2A C3 2.497(9) . ?
Sc2A C4 2.370(9) . ?
Sc2A C5 2.276(10) . ?
Sc2A C6 2.413(9) . ?
Sc2A C7 2.562(9) . ?
Sc2A C8 2.380(9) . ?
Sc2A C11 2.649(11) . ?
Sc2A C17 2.633(8) . ?
Sc2A C19 2.611(10) . ?
Sc3A N1 1.982(6) . ?
Sc3A C36 2.845(9) . ?
Sc3A C37 2.681(9) . ?
Sc3A C38 2.385(9) . ?
Sc3A C39 2.825(9) . ?
Sc3A C57 2.722(10) . ?
Sc3A C58 2.402(9) . ?
Sc3A C59 2.266(7) . ?
Sc3A C60 2.479(8) . ?
Sc3A C76 2.653(8) . ?
Sc3A C77 2.661(9) . ?
N1 Sc1B 1.954(9) . ?
N1 Sc2B 2.208(9) . ?
N1 Sc3B 2.006(10) . ?
C1 C2 1.442(16) . ?
C1 C5 1.399(17) . ?
C1 C8 1.414(15) . ?
C2 C3 1.523(16) . ?
C2 C11 1.317(15) . ?
C3 C4 1.408(15) . ?
C3 C14 1.437(14) . ?
C4 C5 1.422(15) . ?
C4 C17 1.407(15) . ?
C5 C6 1.480(16) . ?
C5 Sc2B 2.776(12) . ?
C6 C7 1.469(15) . ?
C6 C19 1.343(16) . ?
C6 Sc2B 2.156(11) . ?
C7 C8 1.429(15) . ?
C7 C22 1.402(13) . ?
C7 Sc2B 2.208(11) . ?
C8 C9 1.445(15) . ?
C8 Sc2B 2.681(12) . ?
C9 C10 1.506(14) . ?
C9 C24 1.391(13) . ?
C10 C11 1.453(14) . ?
C10 C27 1.488(14) . ?
C10 Sc1B 2.761(12) . ?
C11 C12 1.386(14) . ?
C11 Sc1B 2.842(12) . ?
C12 C13 1.427(12) . ?
C12 C29 1.523(14) . ?
C12 Sc1B 2.461(11) . ?
C13 C14 1.439(13) . ?
C13 C31 1.420(12) . ?
C14 C15 1.388(14) . ?
C15 C16 1.448(13) . ?
C15 C33 1.384(14) . ?
C16 C17 1.408(14) . ?
C16 C35 1.400(14) . ?
C17 C18 1.532(15) . ?
C18 C19 1.474(14) . ?
C18 C37 1.404(15) . ?
C18 Sc2B 2.479(11) . ?
C19 C20 1.443(15) . ?
C19 Sc2B 1.985(11) . ?
C20 C21 1.425(13) . ?
C20 C39 1.477(15) . ?
C20 Sc2B 2.231(11) . ?
C21 C22 1.401(13) . ?
C21 C41 1.449(13) . ?
C21 Sc2B 2.430(11) . ?
C22 C23 1.433(12) . ?
C22 Sc2B 2.354(11) . ?
C23 C24 1.437(12) . ?
C23 C43 1.416(11) . ?
C24 C25 1.431(13) . ?
C25 C26 1.385(13) . ?
C25 C44 1.490(13) . ?
C26 C27 1.391(14) . ?
C26 C47 1.481(14) . ?
C27 C28 1.523(13) . ?
C27 Sc1B 2.339(12) . ?
C28 C29 1.386(14) . ?
C28 C49 1.393(14) . ?
C28 Sc1B 1.880(10) . ?
C29 C30 1.422(13) . ?
C29 Sc1B 2.018(10) . ?
C30 C31 1.473(13) . ?
C30 C51 1.394(13) . ?
C30 Sc1B 2.463(10) . ?
C31 C32 1.417(13) . ?
C32 C33 1.472(13) . ?
C32 C53 1.455(13) . ?
C33 C34 1.453(14) . ?
C34 C35 1.403(13) . ?
C34 C55 1.400(14) . ?
C35 C36 1.428(14) . ?
C36 C37 1.392(14) . ?
C36 C57 1.518(15) . ?
C36 Sc3B 2.600(12) . ?
C37 C38 1.534(14) . ?
C38 C39 1.367(14) . ?
C38 C59 1.361(14) . ?
C39 C40 1.465(13) . ?
C40 C41 1.434(13) . ?
C40 C61 1.374(13) . ?
C41 C42 1.417(13) . ?
C42 C43 1.436(13) . ?
C42 C63 1.421(12) . ?
C43 C44 1.468(13) . ?
C44 C45 1.390(12) . ?
C45 C46 1.391(13) . ?
C45 C64 1.419(12) . ?
C46 C47 1.421(13) . ?
C46 C67 1.509(14) . ?
C47 C48 1.359(14) . ?
C48 C49 1.483(14) . ?
C48 C68 1.363(14) . ?
C49 C50 1.424(14) . ?
C49 Sc1B 2.353(10) . ?
C50 C51 1.432(14) . ?
C50 C70 1.501(15) . ?
C50 Sc1B 2.746(11) . ?
C51 C52 1.460(14) . ?
C51 Sc1B 2.823(11) . ?
C52 C53 1.420(13) . ?
C52 C71 1.454(14) . ?
C53 C54 1.435(13) . ?
C54 C55 1.428(13) . ?
C54 C73 1.428(13) . ?
C55 C56 1.469(14) . ?
C56 C57 1.381(14) . ?
C56 C74 1.450(14) . ?
C56 Sc3B 2.505(13) . ?
C57 C58 1.358(15) . ?
C57 Sc3B 2.221(12) . ?
C58 C59 1.546(15) . ?
C58 C76 1.457(14) . ?
C58 Sc3B 2.236(11) . ?
C59 C60 1.470(13) . ?
C59 Sc3B 2.710(12) . ?
C60 C61 1.434(13) . ?
C60 C77 1.376(14) . ?
C61 C62 1.448(13) . ?
C62 C63 1.425(13) . ?
C62 C79 1.420(13) . ?
C63 C64 1.448(13) . ?
C64 C65 1.511(15) . ?
C65 C66 1.397(14) . ?
C65 C79 1.472(15) . ?
C66 C67 1.409(15) . ?
C66 C81 1.401(15) . ?
C67 C68 1.445(14) . ?
C68 C69 1.447(15) . ?
C69 C70 1.360(15) . ?
C69 C82 1.439(15) . ?
C70 C71 1.434(15) . ?
C71 C72 1.441(13) . ?
C72 C73 1.380(13) . ?
C72 C83 1.432(13) . ?
C73 C74 1.433(13) . ?
C74 C75 1.405(13) . ?
C74 Sc3B 2.705(13) . ?
C75 C76 1.397(13) . ?
C75 C84 1.426(13) . ?
C75 Sc3B 2.641(12) . ?
C76 C77 1.456(13) . ?
C76 Sc3B 2.402(12) . ?
C77 C78 1.462(15) . ?
C78 C79 1.401(14) . ?
C78 C80 1.441(15) . ?
C80 C81 1.471(16) . ?
C80 C84 1.437(14) . ?
C81 C82 1.510(16) . ?
C82 C83 1.437(14) . ?
C83 C84 1.423(14) . ?
Ni1P N1P 1.953(5) . ?
Ni1P N2P 1.956(5) . ?
Ni1P N3P 1.946(5) . ?
Ni1P N4P 1.964(5) . ?
N1P C1P 1.380(8) . ?
N1P C18P 1.390(8) . ?
N2P C3P 1.395(8) . ?
N2P C6P 1.391(8) . ?
N3P C8P 1.384(8) . ?
N3P C11P 1.394(8) . ?
N4P C13P 1.382(8) . ?
N4P C16P 1.387(8) . ?
C1P C2P 1.369(9) . ?
C1P C20P 1.451(8) . ?
C2P C3P 1.345(9) . ?
C3P C4P 1.445(9) . ?
C4P C5P 1.391(9) . ?
C4P C23P 1.497(9) . ?
C5P C6P 1.450(9) . ?
C5P C25P 1.471(9) . ?
C6P C7P 1.375(9) . ?
C7P C8P 1.372(9) . ?
C8P C9P 1.445(8) . ?
C9P C10P 1.356(9) . ?
C9P C27P 1.507(8) . ?
C10P C11P 1.435(8) . ?
C10P C29P 1.519(9) . ?
C11P C12P 1.371(9) . ?
C12P C13P 1.370(9) . ?
C13P C14P 1.445(9) . ?
C14P C15P 1.367(9) . ?
C14P C31P 1.506(9) . ?
C15P C16P 1.433(9) . ?
C15P C33P 1.498(9) . ?
C16P C17P 1.397(9) . ?
C17P C18P 1.367(9) . ?
C18P C19P 1.449(8) . ?
C19P C20P 1.349(9) . ?
C19P C35P 1.518(8) . ?
C20P C21P 1.511(9) . ?
C21P C22P 1.509(9) . ?
C23P C24P 1.543(10) . ?
C25P C26P 1.541(9) . ?
C27P C28P 1.525(10) . ?
C29P C30P 1.513(10) . ?
C31P C32P 1.514(11) . ?
C33P C34P 1.516(10) . ?
C35P C36P 1.528(10) . ?
Sc1B Sc2B 3.532(10) . ?
Sc2B Sc3B 3.491(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Sc1A C28 104.1(3) . . ?
N1 Sc1A C29 112.7(3) . . ?
N1 Sc1A C30 136.9(3) . . ?
N1 Sc1A C31 113.6(3) . . ?
N1 Sc1A C49 118.8(3) . . ?
N1 Sc1A C50 147.4(3) . . ?
N1 Sc1A C51 172.5(3) . . ?
N1 Sc1A C52 146.9(3) . . ?
N1 Sc1A C53 119.5(3) . . ?
N1 Sc1A C70 132.0(3) . . ?
N1 Sc1A C71 131.8(3) . . ?
C28 Sc1A C31 84.3(3) . . ?
C28 Sc1A C53 128.4(3) . . ?
C28 Sc1A C70 87.5(3) . . ?
C28 Sc1A C71 113.5(3) . . ?
C29 Sc1A C28 30.7(3) . . ?
C29 Sc1A C31 53.6(3) . . ?
C29 Sc1A C49 54.1(4) . . ?
C29 Sc1A C53 102.4(3) . . ?
C29 Sc1A C70 100.9(4) . . ?
C29 Sc1A C71 115.1(3) . . ?
C30 Sc1A C28 59.1(3) . . ?
C30 Sc1A C29 33.3(3) . . ?
C30 Sc1A C31 33.6(3) . . ?
C30 Sc1A C49 68.7(3) . . ?
C30 Sc1A C50 61.5(3) . . ?
C30 Sc1A C52 62.8(3) . . ?
C30 Sc1A C53 70.1(3) . . ?
C30 Sc1A C70 89.2(3) . . ?
C30 Sc1A C71 89.4(3) . . ?
C31 Sc1A C53 54.7(3) . . ?
C31 Sc1A C70 113.7(3) . . ?
C31 Sc1A C71 99.4(3) . . ?
C49 Sc1A C28 30.7(3) . . ?
C49 Sc1A C31 101.4(3) . . ?
C49 Sc1A C53 121.8(3) . . ?
C49 Sc1A C70 57.3(4) . . ?
C49 Sc1A C71 85.5(3) . . ?
C50 Sc1A C28 58.3(3) . . ?
C50 Sc1A C29 67.6(3) . . ?
C50 Sc1A C31 93.0(3) . . ?
C50 Sc1A C49 32.9(3) . . ?
C50 Sc1A C52 59.8(4) . . ?
C50 Sc1A C53 90.8(3) . . ?
C50 Sc1A C70 33.3(3) . . ?
C50 Sc1A C71 55.2(3) . . ?
C51 Sc1A C28 72.5(3) . . ?
C51 Sc1A C29 60.9(3) . . ?
C51 Sc1A C30 35.6(3) . . ?
C51 Sc1A C31 59.8(3) . . ?
C51 Sc1A C49 61.7(3) . . ?
C51 Sc1A C50 36.3(4) . . ?
C51 Sc1A C52 36.5(3) . . ?
C51 Sc1A C53 60.7(3) . . ?
C51 Sc1A C70 55.1(4) . . ?
C51 Sc1A C71 55.2(3) . . ?
C52 Sc1A C28 108.8(3) . . ?
C52 Sc1A C29 94.5(3) . . ?
C52 Sc1A C31 67.2(3) . . ?
C52 Sc1A C49 92.1(3) . . ?
C52 Sc1A C53 31.7(3) . . ?
C52 Sc1A C70 54.1(4) . . ?
C52 Sc1A C71 32.2(3) . . ?
C53 Sc1A C70 83.1(3) . . ?
C53 Sc1A C71 54.8(3) . . ?
C71 Sc1A C70 30.5(3) . . ?
N1 Sc2A C1 162.3(4) . . ?
N1 Sc2A C2 129.7(3) . . ?
N1 Sc2A C3 118.7(3) . . ?
N1 Sc2A C4 128.2(3) . . ?
N1 Sc2A C5 159.9(4) . . ?
N1 Sc2A C6 136.6(3) . . ?
N1 Sc2A C7 131.9(3) . . ?
N1 Sc2A C8 141.1(3) . . ?
N1 Sc2A C11 104.8(3) . . ?
N1 Sc2A C17 100.1(3) . . ?
N1 Sc2A C19 107.9(3) . . ?
C1 Sc2A C2 35.5(4) . . ?
C1 Sc2A C3 56.8(4) . . ?
C1 Sc2A C4 59.3(4) . . ?
C1 Sc2A C6 60.4(5) . . ?
C1 Sc2A C7 56.8(4) . . ?
C1 Sc2A C8 34.9(4) . . ?
C1 Sc2A C11 57.8(4) . . ?
C1 Sc2A C17 90.6(4) . . ?
C1 Sc2A C19 89.7(4) . . ?
C2 Sc2A C3 36.2(4) . . ?
C2 Sc2A C6 93.3(4) . . ?
C2 Sc2A C7 91.2(4) . . ?
C2 Sc2A C11 29.7(3) . . ?
C2 Sc2A C17 90.0(4) . . ?
C2 Sc2A C19 118.7(4) . . ?
C3 Sc2A C7 109.4(3) . . ?
C3 Sc2A C11 57.4(4) . . ?
C3 Sc2A C17 55.8(4) . . ?
C3 Sc2A C19 102.1(3) . . ?
C4 Sc2A C2 60.7(4) . . ?
C4 Sc2A C3 33.5(4) . . ?
C4 Sc2A C6 63.2(4) . . ?
C4 Sc2A C7 91.2(3) . . ?
C4 Sc2A C8 90.6(4) . . ?
C4 Sc2A C11 88.1(4) . . ?
C4 Sc2A C17 32.1(3) . . ?
C4 Sc2A C19 68.6(4) . . ?
C5 Sc2A C1 35.3(4) . . ?
C5 Sc2A C2 59.8(4) . . ?
C5 Sc2A C3 56.1(3) . . ?
C5 Sc2A C4 35.6(4) . . ?
C5 Sc2A C6 36.6(4) . . ?
C5 Sc2A C7 56.6(3) . . ?
C5 Sc2A C8 57.6(4) . . ?
C5 Sc2A C11 88.5(4) . . ?
C5 Sc2A C17 60.3(4) . . ?
C5 Sc2A C19 59.0(4) . . ?
C6 Sc2A C3 91.6(4) . . ?
C6 Sc2A C7 34.2(3) . . ?
C6 Sc2A C11 118.1(4) . . ?
C6 Sc2A C17 70.4(4) . . ?
C6 Sc2A C19 30.7(4) . . ?
C7 Sc2A C11 102.7(4) . . ?
C7 Sc2A C17 104.5(3) . . ?
C7 Sc2A C19 56.9(4) . . ?
C8 Sc2A C2 62.3(3) . . ?
C8 Sc2A C3 91.3(4) . . ?
C8 Sc2A C6 58.4(4) . . ?
C8 Sc2A C7 33.3(4) . . ?
C8 Sc2A C11 69.4(4) . . ?
C8 Sc2A C17 117.8(4) . . ?
C8 Sc2A C19 87.3(4) . . ?
C17 Sc2A C11 112.7(3) . . ?
C19 Sc2A C11 147.1(4) . . ?
C19 Sc2A C17 57.5(4) . . ?
N1 Sc3A Sc2A 32.54(16) . . ?
N1 Sc3A C36 92.4(3) . . ?
N1 Sc3A C37 93.5(3) . . ?
N1 Sc3A C38 120.9(3) . . ?
N1 Sc3A C39 110.2(3) . . ?
N1 Sc3A C57 110.4(3) . . ?
N1 Sc3A C58 139.9(4) . . ?
N1 Sc3A C59 153.7(3) . . ?
N1 Sc3A C60 161.6(3) . . ?
N1 Sc3A C76 139.3(3) . . ?
N1 Sc3A C77 150.6(3) . . ?
C36 Sc3A Sc2A 80.4(2) . . ?
C37 Sc3A Sc2A 68.5(2) . . ?
C37 Sc3A C36 29.0(3) . . ?
C37 Sc3A C39 53.5(3) . . ?
C37 Sc3A C57 56.7(4) . . ?
C38 Sc3A Sc2A 89.5(3) . . ?
C38 Sc3A C36 56.2(3) . . ?
C38 Sc3A C37 34.6(3) . . ?
C38 Sc3A C39 28.9(3) . . ?
C38 Sc3A C57 69.7(4) . . ?
C38 Sc3A C58 63.3(4) . . ?
C38 Sc3A C60 61.4(4) . . ?
C38 Sc3A C76 90.8(3) . . ?
C38 Sc3A C77 88.1(4) . . ?
C39 Sc3A Sc2A 78.4(2) . . ?
C39 Sc3A C36 80.9(3) . . ?
C57 Sc3A Sc2A 109.5(3) . . ?
C57 Sc3A C36 31.6(3) . . ?
C57 Sc3A C39 98.6(3) . . ?
C58 Sc3A Sc2A 135.2(3) . . ?
C58 Sc3A C36 55.0(3) . . ?
C58 Sc3A C37 69.5(4) . . ?
C58 Sc3A C39 89.0(4) . . ?
C58 Sc3A C57 29.9(3) . . ?
C58 Sc3A C60 58.5(3) . . ?
C58 Sc3A C76 33.0(3) . . ?
C58 Sc3A C77 54.5(4) . . ?
C59 Sc3A Sc2A 123.4(3) . . ?
C59 Sc3A C36 67.1(3) . . ?
C59 Sc3A C37 60.5(3) . . ?
C59 Sc3A C38 33.9(4) . . ?
C59 Sc3A C39 52.4(4) . . ?
C59 Sc3A C57 60.4(3) . . ?
C59 Sc3A C58 38.6(4) . . ?
C59 Sc3A C60 35.7(3) . . ?
C59 Sc3A C76 58.3(3) . . ?
C59 Sc3A C77 55.7(4) . . ?
C60 Sc3A Sc2A 139.3(2) . . ?
C60 Sc3A C36 102.3(3) . . ?
C60 Sc3A C37 94.2(3) . . ?
C60 Sc3A C39 62.3(3) . . ?
C60 Sc3A C57 87.8(3) . . ?
C60 Sc3A C76 54.4(3) . . ?
C60 Sc3A C77 30.8(3) . . ?
C76 Sc3A Sc2A 162.0(2) . . ?
C76 Sc3A C36 84.8(3) . . ?
C76 Sc3A C37 102.5(3) . . ?
C76 Sc3A C39 109.4(3) . . ?
C76 Sc3A C57 54.1(3) . . ?
C76 Sc3A C77 31.8(3) . . ?
C77 Sc3A Sc2A 166.1(2) . . ?
C77 Sc3A C36 109.3(3) . . ?
C77 Sc3A C37 115.2(3) . . ?
C77 Sc3A C39 93.1(3) . . ?
C77 Sc3A C57 82.5(3) . . ?
Sc1A N1 Sc2A 116.7(3) . . ?
Sc3A N1 Sc1A 123.9(3) . . ?
Sc3A N1 Sc2A 117.3(3) . . ?
Sc1B N1 Sc2B 116.0(4) . . ?
Sc1B N1 Sc3B 132.2(5) . . ?
Sc3B N1 Sc2B 111.8(4) . . ?
C2 C1 Sc2A 74.9(5) . . ?
C5 C1 Sc2A 70.2(6) . . ?
C5 C1 C2 110.3(10) . . ?
C5 C1 C8 106.0(11) . . ?
C8 C1 Sc2A 74.5(6) . . ?
C8 C1 C2 119.9(10) . . ?
C1 C2 Sc2A 69.6(6) . . ?
C1 C2 C3 101.8(10) . . ?
C3 C2 Sc2A 75.4(5) . . ?
C11 C2 Sc2A 85.7(6) . . ?
C11 C2 C1 123.0(10) . . ?
C11 C2 C3 121.1(9) . . ?
C2 C3 Sc2A 68.4(5) . . ?
C4 C3 Sc2A 68.3(5) . . ?
C4 C3 C2 110.5(10) . . ?
C4 C3 C14 122.3(11) . . ?
C14 C3 Sc2A 103.9(5) . . ?
C14 C3 C2 119.1(9) . . ?
C3 C4 Sc2A 78.2(5) . . ?
C3 C4 C5 105.5(10) . . ?
C5 C4 Sc2A 68.6(5) . . ?
C17 C4 Sc2A 84.3(5) . . ?
C17 C4 C3 117.1(10) . . ?
C17 C4 C5 122.9(11) . . ?
C1 C5 Sc2A 74.4(6) . . ?
C1 C5 C4 111.0(10) . . ?
C1 C5 C6 111.9(10) . . ?
C1 C5 Sc2B 89.1(7) . . ?
C4 C5 Sc2A 75.8(5) . . ?
C4 C5 C6 119.4(10) . . ?
C4 C5 Sc2B 90.4(6) . . ?
C6 C5 Sc2A 76.7(5) . . ?
C6 C5 Sc2B 50.3(5) . . ?
C5 C6 Sc2A 66.6(5) . . ?
C5 C6 Sc2B 97.8(7) . . ?
C7 C6 Sc2A 78.5(5) . . ?
C7 C6 C5 102.9(10) . . ?
C7 C6 Sc2B 72.3(5) . . ?
C19 C6 Sc2A 82.8(6) . . ?
C19 C6 C5 118.2(10) . . ?
C19 C6 C7 122.5(9) . . ?
C19 C6 Sc2B 64.3(5) . . ?
C6 C7 Sc2A 67.3(5) . . ?
C6 C7 Sc2B 68.4(5) . . ?
C8 C7 Sc2A 66.3(5) . . ?
C8 C7 C6 107.7(9) . . ?
C8 C7 Sc2B 92.4(6) . . ?
C22 C7 Sc2A 103.2(5) . . ?
C22 C7 C6 119.4(10) . . ?
C22 C7 C8 123.0(9) . . ?
C22 C7 Sc2B 77.8(5) . . ?
C1 C8 Sc2A 70.6(6) . . ?
C1 C8 C7 110.5(11) . . ?
C1 C8 C9 118.5(10) . . ?
C1 C8 Sc2B 92.7(7) . . ?
C7 C8 Sc2A 80.4(6) . . ?
C7 C8 C9 119.9(8) . . ?
C7 C8 Sc2B 55.4(5) . . ?
C9 C8 Sc2A 85.0(5) . . ?
C9 C8 Sc2B 88.9(5) . . ?
C8 C9 Sc2A 62.4(5) . . ?
C8 C9 C10 119.3(9) . . ?
C10 C9 Sc2A 78.7(5) . . ?
C24 C9 Sc2A 105.4(6) . . ?
C24 C9 C8 114.6(9) . . ?
C24 C9 C10 119.7(9) . . ?
C9 C10 Sc2A 69.4(5) . . ?
C9 C10 Sc1B 118.6(5) . . ?
C11 C10 Sc2A 68.8(6) . . ?
C11 C10 C9 116.8(10) . . ?
C11 C10 C27 123.4(9) . . ?
C11 C10 Sc1B 78.1(5) . . ?
C27 C10 Sc2A 111.4(5) . . ?
C27 C10 C9 114.9(8) . . ?
C27 C10 Sc1B 57.9(5) . . ?
C2 C11 Sc2A 64.6(6) . . ?
C2 C11 C10 121.7(11) . . ?
C2 C11 C12 115.2(10) . . ?
C2 C11 Sc1B 121.5(7) . . ?
C10 C11 Sc2A 80.5(6) . . ?
C10 C11 Sc1B 71.9(5) . . ?
C12 C11 Sc2A 106.1(6) . . ?
C12 C11 C10 118.7(10) . . ?
C12 C11 Sc1B 60.0(5) . . ?
C11 C12 C13 125.2(9) . . ?
C11 C12 C29 121.3(9) . . ?
C11 C12 Sc1B 90.9(5) . . ?
C13 C12 C29 105.7(8) . . ?
C13 C12 Sc1B 94.4(5) . . ?
C29 C12 Sc1B 55.0(4) . . ?
C12 C13 C14 119.1(8) . . ?
C31 C13 C12 111.3(8) . . ?
C31 C13 C14 119.5(8) . . ?
C3 C14 C13 115.3(9) . . ?
C15 C14 C3 117.8(10) . . ?
C15 C14 C13 119.0(9) . . ?
C14 C15 C16 119.0(9) . . ?
C33 C15 C14 121.8(9) . . ?
C33 C15 C16 107.4(9) . . ?
C17 C16 C15 120.4(9) . . ?
C35 C16 C15 109.2(9) . . ?
C35 C16 C17 122.9(9) . . ?
C4 C17 Sc2A 63.6(5) . . ?
C4 C17 C16 119.1(11) . . ?
C4 C17 C18 118.8(9) . . ?
C16 C17 Sc2A 107.5(6) . . ?
C16 C17 C18 116.7(9) . . ?
C18 C17 Sc2A 77.7(4) . . ?
C17 C18 Sc2A 69.3(5) . . ?
C17 C18 Sc2B 96.4(6) . . ?
C19 C18 Sc2A 68.9(5) . . ?
C19 C18 C17 114.1(10) . . ?
C19 C18 Sc2B 53.2(4) . . ?
C37 C18 Sc2A 113.1(5) . . ?
C37 C18 C17 117.5(8) . . ?
C37 C18 C19 124.9(9) . . ?
C37 C18 Sc2B 102.3(5) . . ?
C6 C19 Sc2A 66.5(6) . . ?
C6 C19 C18 126.4(11) . . ?
C6 C19 C20 113.1(10) . . ?
C6 C19 Sc2B 78.1(7) . . ?
C18 C19 Sc2A 79.3(5) . . ?
C18 C19 Sc2B 90.3(6) . . ?
C20 C19 Sc2A 107.1(6) . . ?
C20 C19 C18 115.8(10) . . ?
C20 C19 Sc2B 79.5(6) . . ?
C19 C20 C39 119.8(9) . . ?
C19 C20 Sc2B 61.0(5) . . ?
C21 C20 C19 121.9(9) . . ?
C21 C20 C39 108.2(9) . . ?
C21 C20 Sc2B 80.0(5) . . ?
C39 C20 Sc2B 101.3(6) . . ?
C20 C21 C41 108.3(8) . . ?
C20 C21 Sc2B 64.7(5) . . ?
C22 C21 C20 120.8(8) . . ?
C22 C21 C41 120.2(8) . . ?
C22 C21 Sc2B 70.0(5) . . ?
C41 C21 Sc2B 107.1(5) . . ?
C7 C22 C23 115.6(9) . . ?
C7 C22 Sc2B 66.5(5) . . ?
C21 C22 C7 116.5(9) . . ?
C21 C22 C23 119.6(8) . . ?
C21 C22 Sc2B 76.0(5) . . ?
C23 C22 Sc2B 99.3(5) . . ?
C22 C23 C24 119.8(8) . . ?
C43 C23 C22 120.0(8) . . ?
C43 C23 C24 109.7(7) . . ?
C9 C24 C23 123.8(9) . . ?
C9 C24 C25 120.6(9) . . ?
C25 C24 C23 108.9(7) . . ?
C24 C25 C44 106.6(8) . . ?
C26 C25 C24 122.4(9) . . ?
C26 C25 C44 122.0(8) . . ?
C25 C26 C27 119.0(9) . . ?
C25 C26 C47 116.1(9) . . ?
C27 C26 C47 119.7(8) . . ?
C10 C27 C28 115.0(8) . . ?
C10 C27 Sc1B 89.5(6) . . ?
C26 C27 C10 122.9(9) . . ?
C26 C27 C28 118.9(8) . . ?
C26 C27 Sc1B 107.9(6) . . ?
C28 C27 Sc1B 53.3(4) . . ?
C27 C28 Sc1A 107.4(5) . . ?
C27 C28 Sc1B 86.2(5) . . ?
C29 C28 Sc1A 71.5(5) . . ?
C29 C28 C27 121.3(9) . . ?
C29 C28 C49 115.9(9) . . ?
C29 C28 Sc1B 74.6(6) . . ?
C49 C28 Sc1A 72.6(5) . . ?
C49 C28 C27 119.4(9) . . ?
C49 C28 Sc1B 90.7(6) . . ?
C12 C29 Sc1A 98.9(5) . . ?
C12 C29 Sc1B 86.9(6) . . ?
C28 C29 Sc1A 77.8(5) . . ?
C28 C29 C12 119.8(8) . . ?
C28 C29 C30 123.3(9) . . ?
C28 C29 Sc1B 63.9(5) . . ?
C30 C29 Sc1A 63.8(5) . . ?
C30 C29 C12 106.5(9) . . ?
C30 C29 Sc1B 89.7(6) . . ?
C29 C30 Sc1A 82.9(5) . . ?
C29 C30 C31 109.1(8) . . ?
C29 C30 Sc1B 55.0(4) . . ?
C31 C30 Sc1A 85.6(5) . . ?
C31 C30 Sc1B 91.2(5) . . ?
C51 C30 Sc1A 68.3(5) . . ?
C51 C30 C29 120.9(9) . . ?
C51 C30 C31 118.2(8) . . ?
C51 C30 Sc1B 89.7(6) . . ?
C13 C31 Sc1A 99.1(5) . . ?
C13 C31 C30 106.3(7) . . ?
C30 C31 Sc1A 60.8(4) . . ?
C32 C31 Sc1A 82.3(5) . . ?
C32 C31 C13 122.2(8) . . ?
C32 C31 C30 123.0(8) . . ?
C31 C32 Sc1A 68.0(5) . . ?
C31 C32 C33 115.8(8) . . ?
C31 C32 C53 117.9(9) . . ?
C33 C32 Sc1A 108.2(5) . . ?
C53 C32 Sc1A 69.4(5) . . ?
C53 C32 C33 119.2(9) . . ?
C15 C33 C32 121.4(9) . . ?
C15 C33 C34 107.1(9) . . ?
C34 C33 C32 119.9(9) . . ?
C35 C34 C33 108.8(9) . . ?
C55 C34 C33 118.5(9) . . ?
C55 C34 C35 120.4(10) . . ?
C16 C35 C34 106.7(9) . . ?
C16 C35 C36 120.1(8) . . ?
C34 C35 C36 125.7(9) . . ?
C35 C36 Sc3A 116.2(5) . . ?
C35 C36 C57 112.7(9) . . ?
C35 C36 Sc3B 103.7(6) . . ?
C37 C36 Sc3A 68.9(5) . . ?
C37 C36 C35 119.5(9) . . ?
C37 C36 C57 123.5(9) . . ?
C37 C36 Sc3B 88.5(6) . . ?
C57 C36 Sc3A 69.7(5) . . ?
C57 C36 Sc3B 58.4(5) . . ?
C18 C37 Sc3A 110.6(5) . . ?
C18 C37 C38 117.5(9) . . ?
C36 C37 Sc3A 82.1(5) . . ?
C36 C37 C18 123.3(9) . . ?
C36 C37 C38 117.0(10) . . ?
C38 C37 Sc3A 62.1(4) . . ?
C37 C38 Sc3A 83.3(5) . . ?
C39 C38 Sc3A 93.7(6) . . ?
C39 C38 C37 117.4(10) . . ?
C59 C38 Sc3A 68.2(5) . . ?
C59 C38 C37 120.8(9) . . ?
C59 C38 C39 115.3(10) . . ?
C20 C39 Sc3A 109.7(5) . . ?
C38 C39 Sc3A 57.4(5) . . ?
C38 C39 C20 124.0(10) . . ?
C38 C39 C40 124.5(10) . . ?
C40 C39 Sc3A 86.7(5) . . ?
C40 C39 C20 106.4(9) . . ?
C41 C40 C39 107.8(8) . . ?
C61 C40 C39 119.0(9) . . ?
C61 C40 C41 122.0(9) . . ?
C40 C41 C21 108.6(8) . . ?
C42 C41 C21 120.4(9) . . ?
C42 C41 C40 121.4(8) . . ?
C41 C42 C43 118.6(8) . . ?
C41 C42 C63 116.6(8) . . ?
C63 C42 C43 116.4(8) . . ?
C23 C43 C42 120.8(8) . . ?
C23 C43 C44 107.5(7) . . ?
C42 C43 C44 121.2(8) . . ?
C43 C44 C25 107.1(7) . . ?
C45 C44 C25 120.9(9) . . ?
C45 C44 C43 122.5(9) . . ?
C44 C45 C46 115.9(9) . . ?
C44 C45 C64 114.9(9) . . ?
C46 C45 C64 121.8(9) . . ?
C45 C46 C47 125.7(9) . . ?
C45 C46 C67 119.3(9) . . ?
C47 C46 C67 105.5(8) . . ?
C46 C47 C26 118.1(9) . . ?
C48 C47 C26 121.9(8) . . ?
C48 C47 C46 110.7(9) . . ?
C47 C48 C49 119.7(9) . . ?
C47 C48 C68 109.4(9) . . ?
C68 C48 C49 125.1(10) . . ?
C28 C49 Sc1A 76.6(5) . . ?
C28 C49 C48 120.3(9) . . ?
C28 C49 C50 121.3(9) . . ?
C28 C49 Sc1B 53.0(4) . . ?
C48 C49 Sc1A 104.9(5) . . ?
C48 C49 Sc1B 104.1(5) . . ?
C50 C49 Sc1A 64.1(4) . . ?
C50 C49 C48 111.1(10) . . ?
C50 C49 Sc1B 89.8(5) . . ?
C49 C50 Sc1A 83.0(4) . . ?
C49 C50 C51 121.8(9) . . ?
C49 C50 C70 121.9(9) . . ?
C49 C50 Sc1B 59.0(4) . . ?
C51 C50 Sc1A 66.9(5) . . ?
C51 C50 C70 105.6(9) . . ?
C51 C50 Sc1B 78.1(5) . . ?
C70 C50 Sc1A 87.1(5) . . ?
C70 C50 Sc1B 106.2(5) . . ?
C30 C51 Sc1A 76.1(5) . . ?
C30 C51 C50 115.7(9) . . ?
C30 C51 C52 119.5(9) . . ?
C30 C51 Sc1B 60.7(5) . . ?
C50 C51 Sc1A 76.9(5) . . ?
C50 C51 C52 110.3(8) . . ?
C50 C51 Sc1B 72.2(5) . . ?
C52 C51 Sc1A 78.5(5) . . ?
C52 C51 Sc1B 101.6(5) . . ?
C51 C52 Sc1A 65.0(5) . . ?
C53 C52 Sc1A 85.5(5) . . ?
C53 C52 C51 122.1(9) . . ?
C53 C52 C71 120.6(8) . . ?
C71 C52 Sc1A 86.2(5) . . ?
C71 C52 C51 106.5(9) . . ?
C32 C53 Sc1A 80.3(5) . . ?
C52 C53 Sc1A 62.8(5) . . ?
C52 C53 C32 119.1(8) . . ?
C52 C53 C54 115.7(8) . . ?
C54 C53 Sc1A 103.2(5) . . ?
C54 C53 C32 118.9(8) . . ?
C55 C54 C53 120.1(9) . . ?
C55 C54 C73 106.7(8) . . ?
C73 C54 C53 122.5(9) . . ?
C34 C55 C54 122.8(10) . . ?
C34 C55 C56 116.9(9) . . ?
C54 C55 C56 111.2(9) . . ?
C55 C56 Sc3B 101.1(6) . . ?
C57 C56 C55 122.7(9) . . ?
C57 C56 C74 124.9(9) . . ?
C57 C56 Sc3B 62.0(5) . . ?
C74 C56 C55 102.9(8) . . ?
C74 C56 Sc3B 81.6(5) . . ?
C36 C57 Sc3A 78.7(5) . . ?
C36 C57 Sc3B 85.9(6) . . ?
C56 C57 Sc3A 104.1(6) . . ?
C56 C57 C36 120.4(10) . . ?
C56 C57 Sc3B 84.7(6) . . ?
C58 C57 Sc3A 61.9(5) . . ?
C58 C57 C36 117.1(10) . . ?
C58 C57 C56 115.7(11) . . ?
C58 C57 Sc3B 72.9(6) . . ?
C57 C58 Sc3A 88.2(6) . . ?
C57 C58 C59 121.7(10) . . ?
C57 C58 C76 120.7(10) . . ?
C57 C58 Sc3B 71.7(6) . . ?
C59 C58 Sc3A 66.0(5) . . ?
C59 C58 Sc3B 89.6(6) . . ?
C76 C58 Sc3A 83.0(5) . . ?
C76 C58 C59 107.4(9) . . ?
C76 C58 Sc3B 78.0(5) . . ?
C38 C59 Sc3A 77.9(5) . . ?
C38 C59 C58 119.5(9) . . ?
C38 C59 C60 122.8(9) . . ?
C38 C59 Sc3B 87.3(5) . . ?
C58 C59 Sc3A 75.5(4) . . ?
C58 C59 Sc3B 55.6(4) . . ?
C60 C59 Sc3A 80.1(4) . . ?
C60 C59 C58 104.5(8) . . ?
C60 C59 Sc3B 89.4(5) . . ?
C59 C60 Sc3A 64.2(4) . . ?
C61 C60 Sc3A 91.0(5) . . ?
C61 C60 C59 118.9(9) . . ?
C77 C60 Sc3A 81.9(5) . . ?
C77 C60 C59 109.7(8) . . ?
C77 C60 C61 121.4(9) . . ?
C40 C61 C60 117.7(9) . . ?
C40 C61 C62 117.7(8) . . ?
C60 C61 C62 117.7(8) . . ?
C63 C62 C61 120.1(8) . . ?
C79 C62 C61 120.3(8) . . ?
C79 C62 C63 110.5(9) . . ?
C42 C63 C62 121.9(8) . . ?
C42 C63 C64 119.6(8) . . ?
C62 C63 C64 109.1(8) . . ?
C45 C64 C63 124.7(9) . . ?
C45 C64 C65 118.4(9) . . ?
C63 C64 C65 105.9(7) . . ?
C66 C65 C64 119.7(10) . . ?
C66 C65 C79 123.6(10) . . ?
C79 C65 C64 107.0(7) . . ?
C65 C66 C67 121.3(11) . . ?
C65 C66 C81 115.4(11) . . ?
C81 C66 C67 116.7(11) . . ?
C66 C67 C46 119.2(10) . . ?
C66 C67 C68 126.5(11) . . ?
C68 C67 C46 103.2(8) . . ?
C48 C68 C67 110.9(9) . . ?
C48 C68 C69 121.9(9) . . ?
C67 C68 C69 116.2(10) . . ?
C70 C69 C68 116.3(10) . . ?
C70 C69 C82 115.3(11) . . ?
C82 C69 C68 120.2(11) . . ?
C50 C70 Sc1A 59.6(4) . . ?
C69 C70 Sc1A 108.2(6) . . ?
C69 C70 C50 121.8(11) . . ?
C69 C70 C71 123.6(11) . . ?
C71 C70 Sc1A 74.6(5) . . ?
C71 C70 C50 108.0(10) . . ?
C52 C71 Sc1A 61.7(4) . . ?
C70 C71 Sc1A 74.9(5) . . ?
C70 C71 C52 109.0(9) . . ?
C70 C71 C72 121.8(10) . . ?
C72 C71 Sc1A 104.5(5) . . ?
C72 C71 C52 121.7(9) . . ?
C73 C72 C71 116.6(9) . . ?
C73 C72 C83 121.1(9) . . ?
C83 C72 C71 115.3(9) . . ?
C54 C73 C74 108.0(8) . . ?
C72 C73 C54 122.4(8) . . ?
C72 C73 C74 119.0(9) . . ?
C56 C74 Sc3B 66.4(5) . . ?
C73 C74 C56 110.8(9) . . ?
C73 C74 Sc3B 101.8(5) . . ?
C75 C74 C56 118.2(9) . . ?
C75 C74 C73 121.3(9) . . ?
C75 C74 Sc3B 72.3(5) . . ?
C74 C75 C84 119.0(9) . . ?
C74 C75 Sc3B 77.3(5) . . ?
C76 C75 C74 116.5(9) . . ?
C76 C75 C84 117.5(9) . . ?
C76 C75 Sc3B 64.7(5) . . ?
C84 C75 Sc3B 102.2(5) . . ?
C58 C76 Sc3A 64.0(5) . . ?
C58 C76 Sc3B 65.6(5) . . ?
C75 C76 Sc3A 102.0(5) . . ?
C75 C76 C58 122.8(9) . . ?
C75 C76 C77 123.6(9) . . ?
C75 C76 Sc3B 83.6(5) . . ?
C77 C76 Sc3A 74.4(5) . . ?
C77 C76 C58 106.2(9) . . ?
C77 C76 Sc3B 93.7(6) . . ?
C60 C77 Sc3A 67.3(5) . . ?
C60 C77 C76 112.1(9) . . ?
C60 C77 C78 121.3(9) . . ?
C76 C77 Sc3A 73.8(5) . . ?
C76 C77 C78 118.8(9) . . ?
C78 C77 Sc3A 100.5(5) . . ?
C79 C78 C77 117.7(9) . . ?
C79 C78 C80 117.5(10) . . ?
C80 C78 C77 116.9(9) . . ?
C62 C79 C65 107.4(8) . . ?
C78 C79 C62 121.6(9) . . ?
C78 C79 C65 120.1(9) . . ?
C78 C80 C81 119.5(9) . . ?
C84 C80 C78 121.9(10) . . ?
C84 C80 C81 108.1(10) . . ?
C66 C81 C80 123.1(11) . . ?
C66 C81 C82 120.9(11) . . ?
C80 C81 C82 106.1(9) . . ?
C69 C82 C81 119.1(10) . . ?
C83 C82 C69 123.4(10) . . ?
C83 C82 C81 106.7(9) . . ?
C72 C83 C82 120.2(9) . . ?
C84 C83 C72 119.1(9) . . ?
C84 C83 C82 109.7(9) . . ?
C75 C84 C80 121.2(9) . . ?
C83 C84 C75 120.0(9) . . ?
C83 C84 C80 109.3(9) . . ?
N1P Ni1P N2P 89.8(2) . . ?
N1P Ni1P N4P 90.2(2) . . ?
N2P Ni1P N4P 178.21(18) . . ?
N3P Ni1P N1P 178.3(2) . . ?
N3P Ni1P N2P 90.0(2) . . ?
N3P Ni1P N4P 89.8(2) . . ?
C1P N1P Ni1P 127.6(4) . . ?
C1P N1P C18P 104.6(5) . . ?
C18P N1P Ni1P 127.8(4) . . ?
C3P N2P Ni1P 127.9(4) . . ?
C6P N2P Ni1P 128.2(4) . . ?
C6P N2P C3P 103.9(5) . . ?
C8P N3P Ni1P 128.1(4) . . ?
C8P N3P C11P 103.8(5) . . ?
C11P N3P Ni1P 128.0(4) . . ?
C13P N4P Ni1P 128.3(4) . . ?
C13P N4P C16P 103.3(5) . . ?
C16P N4P Ni1P 128.3(4) . . ?
N1P C1P C20P 111.0(6) . . ?
C2P C1P N1P 125.1(6) . . ?
C2P C1P C20P 123.8(6) . . ?
C3P C2P C1P 124.9(6) . . ?
N2P C3P C4P 111.3(5) . . ?
C2P C3P N2P 124.5(6) . . ?
C2P C3P C4P 124.1(6) . . ?
C3P C4P C23P 124.6(6) . . ?
C5P C4P C3P 107.2(6) . . ?
C5P C4P C23P 128.2(6) . . ?
C4P C5P C6P 105.0(5) . . ?
C4P C5P C25P 129.2(6) . . ?
C6P C5P C25P 125.7(6) . . ?
N2P C6P C5P 112.6(5) . . ?
C7P C6P N2P 124.2(6) . . ?
C7P C6P C5P 123.3(6) . . ?
C8P C7P C6P 124.4(6) . . ?
N3P C8P C9P 111.3(6) . . ?
C7P C8P N3P 125.0(5) . . ?
C7P C8P C9P 123.7(6) . . ?
C8P C9P C27P 125.0(6) . . ?
C10P C9P C8P 106.7(5) . . ?
C10P C9P C27P 128.2(6) . . ?
C9P C10P C11P 106.8(5) . . ?
C9P C10P C29P 128.4(5) . . ?
C11P C10P C29P 124.4(6) . . ?
N3P C11P C10P 111.4(5) . . ?
C12P C11P N3P 124.8(5) . . ?
C12P C11P C10P 123.8(6) . . ?
C13P C12P C11P 124.6(6) . . ?
N4P C13P C14P 111.9(5) . . ?
C12P C13P N4P 124.4(6) . . ?
C12P C13P C14P 123.7(6) . . ?
C13P C14P C31P 124.0(6) . . ?
C15P C14P C13P 106.2(5) . . ?
C15P C14P C31P 129.8(6) . . ?
C14P C15P C16P 106.3(5) . . ?
C14P C15P C33P 128.1(6) . . ?
C16P C15P C33P 125.6(6) . . ?
N4P C16P C15P 112.3(5) . . ?
N4P C16P C17P 124.0(6) . . ?
C17P C16P C15P 123.7(6) . . ?
C18P C17P C16P 124.2(6) . . ?
N1P C18P C19P 110.6(6) . . ?
C17P C18P N1P 125.5(6) . . ?
C17P C18P C19P 124.0(6) . . ?
C18P C19P C35P 124.2(6) . . ?
C20P C19P C18P 107.1(5) . . ?
C20P C19P C35P 128.6(6) . . ?
C1P C20P C21P 124.4(6) . . ?
C19P C20P C1P 106.7(5) . . ?
C19P C20P C21P 128.9(5) . . ?
C22P C21P C20P 113.0(5) . . ?
C4P C23P C24P 113.0(6) . . ?
C5P C25P C26P 113.8(6) . . ?
C9P C27P C28P 111.6(5) . . ?
C30P C29P C10P 112.1(6) . . ?
C14P C31P C32P 113.4(6) . . ?
C15P C33P C34P 114.9(6) . . ?
C19P C35P C36P 112.4(5) . . ?
N1 Sc1B C10 102.0(4) . . ?
N1 Sc1B C11 102.9(4) . . ?
N1 Sc1B C12 119.1(4) . . ?
N1 Sc1B C27 117.0(4) . . ?
N1 Sc1B C29 156.0(5) . . ?
N1 Sc1B C30 136.1(5) . . ?
N1 Sc1B C49 139.2(5) . . ?
N1 Sc1B C50 129.3(4) . . ?
N1 Sc1B C51 127.3(4) . . ?
N1 Sc1B Sc2B 34.2(2) . . ?
C10 Sc1B C11 30.0(3) . . ?
C10 Sc1B C51 129.2(4) . . ?
C10 Sc1B Sc2B 68.0(3) . . ?
C11 Sc1B Sc2B 71.8(3) . . ?
C12 Sc1B C10 55.4(3) . . ?
C12 Sc1B C11 29.2(3) . . ?
C12 Sc1B C30 57.3(3) . . ?
C12 Sc1B C50 105.4(4) . . ?
C12 Sc1B C51 86.8(3) . . ?
C12 Sc1B Sc2B 95.4(3) . . ?
C27 Sc1B C10 32.6(3) . . ?
C27 Sc1B C11 59.0(4) . . ?
C27 Sc1B C12 75.4(4) . . ?
C27 Sc1B C30 104.5(4) . . ?
C27 Sc1B C49 64.9(4) . . ?
C27 Sc1B C50 95.6(4) . . ?
C27 Sc1B C51 113.5(4) . . ?
C27 Sc1B Sc2B 88.6(3) . . ?
C28 Sc1B N1 156.0(5) . . ?
C28 Sc1B C10 63.0(4) . . ?
C28 Sc1B C11 73.8(5) . . ?
C28 Sc1B C12 69.4(4) . . ?
C28 Sc1B C27 40.5(4) . . ?
C28 Sc1B C29 41.5(4) . . ?
C28 Sc1B C30 67.9(4) . . ?
C28 Sc1B C49 36.3(4) . . ?
C28 Sc1B C50 60.7(4) . . ?
C28 Sc1B C51 73.1(4) . . ?
C28 Sc1B Sc2B 128.5(5) . . ?
C29 Sc1B C10 72.1(4) . . ?
C29 Sc1B C11 60.1(4) . . ?
C29 Sc1B C12 38.2(4) . . ?
C29 Sc1B C27 70.7(4) . . ?
C29 Sc1B C30 35.3(4) . . ?
C29 Sc1B C49 64.7(5) . . ?
C29 Sc1B C50 68.5(4) . . ?
C29 Sc1B C51 58.0(4) . . ?
C29 Sc1B Sc2B 131.8(5) . . ?
C30 Sc1B C10 105.9(4) . . ?
C30 Sc1B C11 86.1(4) . . ?
C30 Sc1B C50 54.4(3) . . ?
C30 Sc1B C51 29.6(3) . . ?
C30 Sc1B Sc2B 143.8(4) . . ?
C49 Sc1B C10 95.3(4) . . ?
C49 Sc1B C11 110.1(5) . . ?
C49 Sc1B C12 101.1(4) . . ?
C49 Sc1B C30 70.7(4) . . ?
C49 Sc1B C50 31.2(3) . . ?
C49 Sc1B C51 56.8(4) . . ?
C49 Sc1B Sc2B 143.5(4) . . ?
C50 Sc1B C10 123.7(4) . . ?
C50 Sc1B C11 127.5(4) . . ?
C50 Sc1B C51 29.7(3) . . ?
C50 Sc1B Sc2B 159.2(3) . . ?
C51 Sc1B C11 115.1(4) . . ?
C51 Sc1B Sc2B 157.5(4) . . ?
N1 Sc2B C5 120.1(4) . . ?
N1 Sc2B C7 151.4(5) . . ?
N1 Sc2B C8 120.1(4) . . ?
N1 Sc2B C18 96.1(4) . . ?
N1 Sc2B C20 130.7(5) . . ?
N1 Sc2B C21 135.3(4) . . ?
N1 Sc2B C22 141.3(4) . . ?
N1 Sc2B Sc1B 29.8(2) . . ?
N1 Sc2B Sc3B 32.2(2) . . ?
C5 Sc2B Sc1B 102.6(3) . . ?
C5 Sc2B Sc3B 130.1(4) . . ?
C6 Sc2B N1 149.7(6) . . ?
C6 Sc2B C5 31.9(4) . . ?
C6 Sc2B C7 39.3(4) . . ?
C6 Sc2B C8 56.6(4) . . ?
C6 Sc2B C18 65.3(4) . . ?
C6 Sc2B C20 64.0(5) . . ?
C6 Sc2B C21 73.4(4) . . ?
C6 Sc2B C22 66.5(4) . . ?
C6 Sc2B Sc1B 134.0(5) . . ?
C6 Sc2B Sc3B 141.3(5) . . ?
C7 Sc2B C5 53.7(4) . . ?
C7 Sc2B C8 32.2(4) . . ?
C7 Sc2B C18 104.4(4) . . ?
C7 Sc2B C20 77.2(5) . . ?
C7 Sc2B C21 61.6(4) . . ?
C7 Sc2B C22 35.6(3) . . ?
C7 Sc2B Sc1B 121.7(4) . . ?
C7 Sc2B Sc3B 175.0(5) . . ?
C8 Sc2B C5 48.6(4) . . ?
C8 Sc2B Sc1B 90.4(3) . . ?
C8 Sc2B Sc3B 152.2(4) . . ?
C18 Sc2B C5 67.3(4) . . ?
C18 Sc2B C8 115.3(5) . . ?
C18 Sc2B Sc1B 112.9(4) . . ?
C18 Sc2B Sc3B 75.9(3) . . ?
C19 Sc2B N1 132.2(5) . . ?
C19 Sc2B C5 58.4(5) . . ?
C19 Sc2B C6 37.6(5) . . ?
C19 Sc2B C7 71.8(5) . . ?
C19 Sc2B C8 94.2(5) . . ?
C19 Sc2B C18 36.5(4) . . ?
C19 Sc2B C20 39.5(4) . . ?
C19 Sc2B C21 68.4(4) . . ?
C19 Sc2B C22 83.6(5) . . ?
C19 Sc2B Sc1B 146.4(5) . . ?
C19 Sc2B Sc3B 106.9(5) . . ?
C20 Sc2B C5 93.7(4) . . ?
C20 Sc2B C8 109.1(5) . . ?
C20 Sc2B C18 63.0(4) . . ?
C20 Sc2B C21 35.3(3) . . ?
C20 Sc2B C22 64.7(4) . . ?
C20 Sc2B Sc1B 160.1(4) . . ?
C20 Sc2B Sc3B 98.7(4) . . ?
C21 Sc2B C5 104.4(4) . . ?
C21 Sc2B C8 91.0(4) . . ?
C21 Sc2B C18 98.0(4) . . ?
C21 Sc2B Sc1B 144.9(4) . . ?
C21 Sc2B Sc3B 113.3(4) . . ?
C22 Sc2B C5 88.8(4) . . ?
C22 Sc2B C8 58.8(3) . . ?
C22 Sc2B C18 119.9(4) . . ?
C22 Sc2B C21 34.0(3) . . ?
C22 Sc2B Sc1B 126.2(4) . . ?
C22 Sc2B Sc3B 139.9(4) . . ?
Sc3B Sc2B Sc1B 62.1(2) . . ?
N1 Sc3B C36 99.5(5) . . ?
N1 Sc3B C56 130.3(6) . . ?
N1 Sc3B C57 133.5(6) . . ?
N1 Sc3B C58 152.4(6) . . ?
N1 Sc3B C59 121.9(5) . . ?
N1 Sc3B C74 134.5(6) . . ?
N1 Sc3B C75 146.4(5) . . ?
N1 Sc3B C76 161.5(6) . . ?
N1 Sc3B Sc1B 23.6(2) . . ?
N1 Sc3B Sc2B 36.0(3) . . ?
C36 Sc3B C59 65.2(4) . . ?
C36 Sc3B C74 90.8(4) . . ?
C36 Sc3B C75 108.4(4) . . ?
C36 Sc3B Sc1B 110.1(4) . . ?
C36 Sc3B Sc2B 80.1(3) . . ?
C56 Sc3B C36 59.0(4) . . ?
C56 Sc3B C59 91.0(4) . . ?
C56 Sc3B C74 32.0(3) . . ?
C56 Sc3B C75 56.8(4) . . ?
C56 Sc3B Sc1B 116.8(5) . . ?
C56 Sc3B Sc2B 135.7(4) . . ?
C57 Sc3B C36 35.6(4) . . ?
C57 Sc3B C56 33.3(4) . . ?
C57 Sc3B C58 35.5(4) . . ?
C57 Sc3B C59 61.0(4) . . ?
C57 Sc3B C74 60.3(4) . . ?
C57 Sc3B C75 72.8(5) . . ?
C57 Sc3B C76 63.8(4) . . ?
C57 Sc3B Sc1B 135.8(5) . . ?
C57 Sc3B Sc2B 114.5(5) . . ?
C58 Sc3B C36 60.5(4) . . ?
C58 Sc3B C56 58.2(4) . . ?
C58 Sc3B C59 34.8(4) . . ?
C58 Sc3B C74 68.7(4) . . ?
C58 Sc3B C75 61.1(4) . . ?
C58 Sc3B C76 36.4(4) . . ?
C58 Sc3B Sc1B 170.5(5) . . ?
C58 Sc3B Sc2B 117.3(5) . . ?
C59 Sc3B Sc1B 145.3(4) . . ?
C59 Sc3B Sc2B 86.2(4) . . ?
C74 Sc3B C59 102.7(4) . . ?
C74 Sc3B Sc1B 111.9(4) . . ?
C74 Sc3B Sc2B 163.4(5) . . ?
C75 Sc3B C59 87.6(4) . . ?
C75 Sc3B C74 30.4(3) . . ?
C75 Sc3B Sc1B 124.4(4) . . ?
C75 Sc3B Sc2B 166.1(5) . . ?
C76 Sc3B C36 95.7(4) . . ?
C76 Sc3B C56 67.1(4) . . ?
C76 Sc3B C59 56.1(4) . . ?
C76 Sc3B C74 55.2(4) . . ?
C76 Sc3B C75 31.7(3) . . ?
C76 Sc3B Sc1B 152.0(4) . . ?
C76 Sc3B Sc2B 139.1(5) . . ?
Sc2B Sc3B Sc1B 59.5(2) . . ?

_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_sc3n@c86_sq
_database_code_depnum_ccdc_archive 'CCDC 2178355'
loop_
_audit_author_name
_audit_author_address
'Ze Fu'
;Soochow University
China
;
_audit_update_record             
;
2022-06-18 deposited with the CCDC.	2022-08-02 downloaded from the CCDC.
;
_audit_creation_date             2022-01-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'N Sc3, 0.5(C172), C6 H6, C36 H44 N4 Ni'
_chemical_formula_sum            'C128 H50 N5 Ni Sc3'
_chemical_formula_weight         1851.32
_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 0.0148 0.0070 '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'
Ni Ni -1.3408 3.2904 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.4030 1.2598 '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           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   26.259(3)
_cell_length_b                   17.9994(19)
_cell_length_c                   17.8301(16)
_cell_angle_alpha                90
_cell_angle_beta                 108.472(4)
_cell_angle_gamma                90
_cell_volume                     7993.0(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9883
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      51.264
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   0.839
_shelx_estimated_absorpt_T_min   0.752
_exptl_absorpt_coefficient_mu    3.028
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1412 before and 0.0807 after correction. The Ratio of minimum to maximum transmission is 0.6592. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3776
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_av_unetI/netI     0.0635
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            59347
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.906
_diffrn_reflns_theta_min         2.273
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_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           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4504
_reflns_number_total             7570
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       0.00025(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1244
_refine_ls_number_reflns         7570
_refine_ls_number_restraints     1795
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.0904
_refine_ls_restrained_S_all      1.214
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1023P)²+49.6648P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2305
_refine_ls_wR_factor_ref         0.2667
_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
 C9-C1
 1.4 with sigma of 0.01
 C32-C31
 1.4 with sigma of 0.01
 C60-C37
 1.4 with sigma of 0.01
 C42-C41
 1.4 with sigma of 0.01
 C48-C47
 1.4 with sigma of 0.01
 C49-C48 \\sim C48-C71 \\sim C71-C51 \\sim C51-C50 \\sim C50-C49
 with sigma of 0.02
 C49-C71 \\sim C49-C51 \\sim C48-C51 \\sim C48-C50 \\sim C71-C50
 with sigma of 0.02
 C85-C75 \\sim C75-C74 \\sim C74-C73 \\sim C73-C72 \\sim C72-C85
 with sigma of 0.02
 C85-C74 \\sim C85-C73 \\sim C75-C73 \\sim C75-C72 \\sim C74-C72
 with sigma of 0.02
 C84-C83 \\sim C83-C82 \\sim C82-C81 \\sim C81-C86 \\sim C86-C84
 with sigma of 0.02
 C84-C82 \\sim C84-C81 \\sim C83-C81 \\sim C83-C86 \\sim C82-C86
 with sigma of 0.02
 C78-C79 \\sim C79-C61 \\sim C61-C60 \\sim C60-C59 \\sim C59-C78
 with sigma of 0.02
 C78-C61 \\sim C78-C60 \\sim C79-C60 \\sim C79-C59 \\sim C61-C59
 with sigma of 0.02
 C27-C10 \\sim C10-C9 \\sim C9-C8 \\sim C8-C26 \\sim C26-C27
 with sigma of 0.02
 C27-C9 \\sim C27-C8 \\sim C10-C8 \\sim C10-C26 \\sim C9-C26
 with sigma of 0.02
 C36-C37 \\sim C37-C38 \\sim C38-C17 \\sim C17-C16 \\sim C16-C36
 with sigma of 0.02
 C36-C38 \\sim C36-C17 \\sim C37-C17 \\sim C37-C16 \\sim C38-C16
 with sigma of 0.02
 C1-C2 \\sim C2-C3 \\sim C3-C4 \\sim C4-C5 \\sim C5-C1
 with sigma of 0.02
 C1-C3 \\sim C1-C4 \\sim C2-C4 \\sim C2-C5 \\sim C3-C5
 with sigma of 0.02
 C33-C34 \\sim C34-C14 \\sim C14-C13 \\sim C13-C32 \\sim C32-C33
 with sigma of 0.02
 C33-C14 \\sim C33-C13 \\sim C34-C13 \\sim C34-C32 \\sim C14-C32
 with sigma of 0.02
 C40-C41 \\sim C41-C21 \\sim C21-C20 \\sim C20-C19 \\sim C19-C40
 with sigma of 0.02
 C40-C21 \\sim C40-C20 \\sim C41-C20 \\sim C41-C19 \\sim C21-C19
 with sigma of 0.02
 C29-C30 \\sim C30-C31 \\sim C31-C54 \\sim C54-C53 \\sim C53-C29
 with sigma of 0.02
 C29-C31 \\sim C29-C54 \\sim C30-C54 \\sim C30-C53 \\sim C31-C53
 with sigma of 0.02
 C64-C65 \\sim C65-C43 \\sim C43-C42 \\sim C42-C63 \\sim C63-C64
 with sigma of 0.02
 C64-C43 \\sim C64-C42 \\sim C65-C42 \\sim C65-C63 \\sim C43-C63
 with sigma of 0.02
 C68-C67 \\sim C67-C45 \\sim C45-C46 \\sim C46-C47 \\sim C47-C68
 with sigma of 0.02
 C68-C45 \\sim C68-C46 \\sim C67-C46 \\sim C67-C47 \\sim C45-C47
 with sigma of 0.02
 C1-C8 \\sim C1-C10 \\sim C9-C2 \\sim C9-C5
 with sigma of 0.02
 C6-C5 \\sim C6-C7 \\sim C6-C20
 with sigma of 0.02
 C5-C7 \\sim C7-C20 \\sim C20-C5
 with sigma of 0.02
 C7-C6 \\sim C7-C8 \\sim C7-C23
 with sigma of 0.02
 C6-C8 \\sim C8-C23 \\sim C23-C6
 with sigma of 0.02
 C11-C10 \\sim C11-C12 \\sim C11-C30
 with sigma of 0.02
 C10-C12 \\sim C12-C30 \\sim C30-C10
 with sigma of 0.02
 C12-C11 \\sim C12-C13 \\sim C12-C2
 with sigma of 0.02
 C11-C13 \\sim C13-C2 \\sim C2-C11
 with sigma of 0.02
 C15-C14 \\sim C15-C16 \\sim C15-C3
 with sigma of 0.02
 C14-C16 \\sim C16-C3 \\sim C3-C14
 with sigma of 0.02
 C18-C17 \\sim C18-C19 \\sim C18-C4
 with sigma of 0.02
 C17-C19 \\sim C19-C4 \\sim C4-C17
 with sigma of 0.02
 C22-C21 \\sim C22-C23 \\sim C22-C44
 with sigma of 0.02
 C21-C23 \\sim C23-C44 \\sim C44-C21
 with sigma of 0.02
 C23-C22 \\sim C23-C24 \\sim C23-C7
 with sigma of 0.02
 C22-C24 \\sim C24-C7 \\sim C7-C22
 with sigma of 0.02
 C24-C23 \\sim C24-C25 \\sim C24-C46
 with sigma of 0.02
 C23-C25 \\sim C25-C46 \\sim C46-C23
 with sigma of 0.02
 C25-C24 \\sim C25-C26 \\sim C25-C49
 with sigma of 0.02
 C24-C26 \\sim C26-C49 \\sim C49-C24
 with sigma of 0.02
 C28-C27 \\sim C28-C29 \\sim C28-C50
 with sigma of 0.02
 C27-C29 \\sim C29-C50 \\sim C50-C27
 with sigma of 0.02
 C31-C33 \\sim C31-C13 \\sim C32-C30 \\sim C32-C54
 with sigma of 0.02
 C33-C32 \\sim C33-C34 \\sim C33-C56
 with sigma of 0.02
 C32-C34 \\sim C34-C56 \\sim C56-C32
 with sigma of 0.02
 C35-C34 \\sim C35-C36 \\sim C35-C58
 with sigma of 0.02
 C34-C36 \\sim C36-C58 \\sim C58-C34
 with sigma of 0.02
 C37-C59 \\sim C37-C61 \\sim C60-C36 \\sim C60-C38
 with sigma of 0.02
 C39-C38 \\sim C39-C40 \\sim C39-C62
 with sigma of 0.02
 C38-C40 \\sim C40-C62 \\sim C62-C38
 with sigma of 0.02
 C41-C43 \\sim C41-C63 \\sim C42-C40 \\sim C42-C21
 with sigma of 0.02
 C44-C43 \\sim C44-C45 \\sim C44-C22
 with sigma of 0.02
 C43-C45 \\sim C45-C22 \\sim C22-C43
 with sigma of 0.02
 C47-C49 \\sim C47-C71 \\sim C48-C46 \\sim C48-C68
 with sigma of 0.02
 C52-C51 \\sim C52-C53 \\sim C52-C73
 with sigma of 0.02
 C51-C53 \\sim C53-C73 \\sim C73-C51
 with sigma of 0.02
 C55-C54 \\sim C55-C56 \\sim C55-C74
 with sigma of 0.02
 C54-C56 \\sim C56-C74 \\sim C74-C54
 with sigma of 0.02
 C56-C55 \\sim C56-C57 \\sim C56-C33
 with sigma of 0.02
 C55-C57 \\sim C57-C33 \\sim C33-C55
 with sigma of 0.02
 C57-C56 \\sim C57-C58 \\sim C57-C76
 with sigma of 0.02
 C56-C58 \\sim C58-C76 \\sim C76-C56
 with sigma of 0.02
 C58-C57 \\sim C58-C59 \\sim C58-C35
 with sigma of 0.02
 C57-C59 \\sim C59-C35 \\sim C35-C57
 with sigma of 0.02
 C62-C61 \\sim C62-C63 \\sim C62-C39
 with sigma of 0.02
 C61-C63 \\sim C63-C39 \\sim C39-C61
 with sigma of 0.02
 C66-C65 \\sim C66-C67 \\sim C66-C82
 with sigma of 0.02
 C65-C67 \\sim C67-C82 \\sim C82-C65
 with sigma of 0.02
 C69-C68 \\sim C69-C70 \\sim C69-C83
 with sigma of 0.02
 C68-C70 \\sim C70-C83 \\sim C83-C68
 with sigma of 0.02
 C70-C71 \\sim C70-C72 \\sim C70-C69
 with sigma of 0.02
 C71-C72 \\sim C72-C69 \\sim C69-C71
 with sigma of 0.02
 C76-C75 \\sim C76-C77 \\sim C76-C57
 with sigma of 0.02
 C75-C77 \\sim C77-C57 \\sim C57-C75
 with sigma of 0.02
 C77-C76 \\sim C77-C78 \\sim C77-C86
 with sigma of 0.02
 C76-C78 \\sim C78-C86 \\sim C86-C76
 with sigma of 0.02
 C80-C81 \\sim C80-C79 \\sim C80-C64
 with sigma of 0.02
 C79-C81 \\sim C81-C64 \\sim C64-C79
 with sigma of 0.02
3. Restrained planarity
 C48, C49, C50, C51, C71
 with sigma of 0.1
 C72, C73, C74, C75, C85
 with sigma of 0.1
 C81, C82, C83, C84, C86
 with sigma of 0.1
 C59, C60, C61, C78, C79
 with sigma of 0.1
 C8, C9, C10, C26, C27
 with sigma of 0.1
 C16, C17, C36, C37, C38
 with sigma of 0.1
 C1, C2, C3, C4, C5
 with sigma of 0.1
 C13, C14, C32, C33, C34
 with sigma of 0.1
 C19, C20, C21, C40, C41
 with sigma of 0.1
 C29, C30, C31, C53, C54
 with sigma of 0.1
 C42, C43, C63, C64, C65
 with sigma of 0.1
 C45, C46, C47, C67, C68
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Ni1P \\sim N1P \\sim N2P \\sim N3P \\sim N4P \\sim C1P \\sim C2P \\sim C3P
\\sim C4P \\sim C5P \\sim C6P \\sim C7P \\sim C8P \\sim C9P \\sim C10P \\sim
C11P \\sim C12P \\sim C13P \\sim C14P \\sim C15P \\sim C16P \\sim C17P \\sim
C18P \\sim C19P \\sim C20P \\sim C21P \\sim C22P \\sim C23P \\sim C24P \\sim
C25P \\sim C26P \\sim C27P \\sim C28P \\sim C29P \\sim C30P \\sim C31P \\sim
C32P \\sim C33P \\sim C34P \\sim C35P \\sim C36P: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
Sc1 \\sim Sc2 \\sim Sc3 \\sim Sc4 \\sim Sc5 \\sim Sc6: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81
\\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
Uanis(C34P) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Others
 Sof(Sc4)=Sof(Sc5)=Sof(Sc6)=0.5*(1-FVAR(2))
 Sof(Sc1)=Sof(Sc2)=Sof(Sc3)=0.5*FVAR(2)
 Fixed Sof: C1(0.5) C2(0.5) C3(0.5) C4(0.5) C5(0.5) C6(0.5) C7(0.5) C8(0.5)
 C9(0.5) C10(0.5) C11(0.5) C12(0.5) C13(0.5) C14(0.5) C15(0.5) C16(0.5)
 C17(0.5) C18(0.5) C19(0.5) C20(0.5) C21(0.5) C22(0.5) C23(0.5) C24(0.5)
 C25(0.5) C26(0.5) C27(0.5) C28(0.5) C29(0.5) C30(0.5) C31(0.5) C32(0.5)
 C33(0.5) C34(0.5) C35(0.5) C36(0.5) C37(0.5) C38(0.5) C39(0.5) C40(0.5)
 C41(0.5) C42(0.5) C43(0.5) C44(0.5) C45(0.5) C46(0.5) C47(0.5) C48(0.5)
 C49(0.5) C50(0.5) C51(0.5) C52(0.5) C53(0.5) C54(0.5) C55(0.5) C56(0.5)
 C57(0.5) C58(0.5) C59(0.5) C60(0.5) C61(0.5) C62(0.5) C63(0.5) C64(0.5)
 C65(0.5) C66(0.5) C67(0.5) C68(0.5) C69(0.5) C70(0.5) C71(0.5) C72(0.5)
 C73(0.5) C74(0.5) C75(0.5) C76(0.5) C77(0.5) C78(0.5) C79(0.5) C80(0.5)
 C81(0.5) C82(0.5) C83(0.5) C84(0.5) C85(0.5) C86(0.5) Ni1P(0.5) N1P(0.5)
 N2P(0.5) N3P(0.5) N4P(0.5) C1P(0.5) C2P(0.5) H2P(0.5) C3P(0.5) C4P(0.5)
 C5P(0.5) C6P(0.5) C7P(0.5) H7P(0.5) C8P(0.5) C9P(0.5) C10P(0.5) C11P(0.5)
 C12P(0.5) H12P(0.5) C13P(0.5) C14P(0.5) C15P(0.5) C16P(0.5) C17P(0.5)
 H17P(0.5) C18P(0.5) C19P(0.5) C20P(0.5) C21P(0.5) H21A(0.5) H21B(0.5)
 C22P(0.5) H22A(0.5) H22B(0.5) H22C(0.5) C23P(0.5) H23A(0.5) H23B(0.5)
 C24P(0.5) H24A(0.5) H24B(0.5) H24C(0.5) C25P(0.5) H25A(0.5) H25B(0.5)
 C26P(0.5) H26A(0.5) H26B(0.5) H26C(0.5) C27P(0.5) H27A(0.5) H27B(0.5)
 C28P(0.5) H28A(0.5) H28B(0.5) H28C(0.5) C29P(0.5) H29A(0.5) H29B(0.5)
 C30P(0.5) H30A(0.5) H30B(0.5) H30C(0.5) C31P(0.5) H31A(0.5) H31B(0.5)
 C32P(0.5) H32A(0.5) H32B(0.5) H32C(0.5) C33P(0.5) H33A(0.5) H33B(0.5)
 C34P(0.5) H34A(0.5) H34B(0.5) H34C(0.5) C35P(0.5) H35A(0.5) H35B(0.5)
 C36P(0.5) H36A(0.5) H36B(0.5) H36C(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C21P(H21A,H21B), C23P(H23A,H23B), C25P(H25A,H25B), C27P(H27A,H27B), C29P(H29A,
 H29B), C31P(H31A,H31B), C33P(H33A,H33B), C35P(H35A,H35B)
6.b Aromatic/amide H refined with riding coordinates:
 C1S(H1S), C2S(H2S), C3S(H3S), C4S(H4S), C2P(H2P), C7P(H7P), C12P(H12P),
 C17P(H17P)
6.c Idealised Me refined as rotating group:
 C22P(H22A,H22B,H22C), C24P(H24A,H24B,H24C), C26P(H26A,H26B,H26C), C28P(H28A,
 H28B,H28C), C30P(H30A,H30B,H30C), C32P(H32A,H32B,H32C), C34P(H34A,H34B,H34C),
 C36P(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_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
N1 N 0.2132(2) 0.500000 0.1645(3) 0.0461(16) Uani 1 2 d S T P . .
Sc1 Sc 0.2249(2) 0.4356(3) 0.2672(3) 0.0645(15) Uani 0.313(3) 1 d . U . A 2
Sc2 Sc 0.25522(16) 0.5950(3) 0.1844(3) 0.0679(15) Uani 0.313(3) 1 d . U . A 2
Sc3 Sc 0.18307(16) 0.4600(2) 0.0497(2) 0.0551(13) Uani 0.313(3) 1 d . U . A 2
Sc4 Sc 0.2288(3) 0.5190(7) 0.2840(5) 0.066(4) Uani 0.187(3) 1 d . U . A 3
Sc5 Sc 0.1649(3) 0.5843(4) 0.0823(4) 0.061(2) Uani 0.187(3) 1 d . U . A 3
Sc6 Sc 0.2629(3) 0.4419(5) 0.1291(5) 0.080(3) Uani 0.187(3) 1 d . U . A 3
C1 C 0.0744(6) 0.3506(7) 0.1774(7) 0.096(4) Uani 0.5 1 d D U . B 1
C2 C 0.1160(5) 0.3157(7) 0.2366(6) 0.084(3) Uani 0.5 1 d D U . B 1
C3 C 0.1458(5) 0.2750(8) 0.1968(7) 0.087(4) Uani 0.5 1 d D U . B 1
C4 C 0.1205(6) 0.2851(10) 0.1145(7) 0.083(3) Uani 0.5 1 d D U . B 1
C5 C 0.0795(5) 0.3368(6) 0.1037(6) 0.080(3) Uani 0.5 1 d D U . B 1
C6 C 0.0686(8) 0.3897(7) 0.0423(8) 0.088(4) Uani 0.5 1 d D U . B 1
C7 C 0.0541(6) 0.4630(6) 0.0602(7) 0.094(4) Uani 0.5 1 d D U . B 1
C8 C 0.0429(5) 0.4714(6) 0.1332(6) 0.090(4) Uani 0.5 1 d D U . B 1
C9 C 0.0548(5) 0.4153(6) 0.1922(7) 0.088(3) Uani 0.5 1 d D U . B 1
C10 C 0.0722(6) 0.4466(7) 0.2658(6) 0.078(3) Uani 0.5 1 d D U . B 1
C11 C 0.1178(6) 0.4167(7) 0.3271(8) 0.080(3) Uani 0.5 1 d D U . B 1
C12 C 0.1395(5) 0.3489(7) 0.3132(7) 0.081(3) Uani 0.5 1 d D U . B 1
C13 C 0.1952(4) 0.3356(8) 0.3467(10) 0.082(4) Uani 0.5 1 d D U . B 1
C14 C 0.2257(5) 0.2975(7) 0.3018(7) 0.088(3) Uani 0.5 1 d D U . B 1
C15 C 0.1989(6) 0.2645(13) 0.2283(8) 0.089(4) Uani 0.5 1 d D U . B 1
C16 C 0.2305(5) 0.2603(10) 0.1795(8) 0.102(4) Uani 0.5 1 d D U . B 1
C17 C 0.2060(5) 0.2667(9) 0.0959(8) 0.099(4) Uani 0.5 1 d D U . B 1
C18 C 0.1493(6) 0.2805(10) 0.0620(8) 0.092(4) Uani 0.5 1 d D U . B 1
C19 C 0.1355(6) 0.3275(8) -0.0036(8) 0.086(3) Uani 0.5 1 d D U . B 1
C20 C 0.0956(5) 0.3827(7) -0.0134(6) 0.079(3) Uani 0.5 1 d D U . B 1
C21 C 0.1069(5) 0.4427(7) -0.0576(8) 0.089(4) Uani 0.5 1 d D U . B 1
C22 C 0.0944(4) 0.5172(6) -0.0381(7) 0.095(4) Uani 0.5 1 d D U . B 1
C23 C 0.0668(5) 0.5263(6) 0.0208(7) 0.092(4) Uani 0.5 1 d D U . B 1
C24 C 0.0691(9) 0.5996(7) 0.0604(9) 0.097(4) Uani 0.5 1 d D U . B 1
C25 C 0.0600(5) 0.6032(7) 0.1356(7) 0.084(3) Uani 0.5 1 d D U . B 1
C26 C 0.0485(6) 0.5375(6) 0.1728(7) 0.086(3) Uani 0.5 1 d D U . B 1
C27 C 0.0673(6) 0.5237(7) 0.2547(7) 0.081(3) Uani 0.5 1 d D U . B 1
C28 C 0.0988(6) 0.5768(8) 0.3041(9) 0.087(3) Uani 0.5 1 d D U . B 1
C29 C 0.1429(5) 0.5489(8) 0.3678(9) 0.080(3) Uani 0.5 1 d D U . B 1
C30 C 0.1514(4) 0.4700(7) 0.3787(8) 0.074(3) Uani 0.5 1 d D U . B 1
C31 C 0.2078(5) 0.4577(6) 0.4091(9) 0.084(3) Uani 0.5 1 d D U . B 1
C32 C 0.2319(4) 0.3939(5) 0.3961(6) 0.078(3) Uani 0.5 1 d D U . B 1
C33 C 0.2817(5) 0.3916(7) 0.3814(8) 0.090(4) Uani 0.5 1 d D U . B 1
C34 C 0.2799(5) 0.3353(7) 0.3240(8) 0.103(4) Uani 0.5 1 d D U . B 1
C35 C 0.3147(6) 0.3292(8) 0.2778(8) 0.112(4) Uani 0.5 1 d D U . B 1
C36 C 0.2839(5) 0.2902(7) 0.2012(7) 0.100(4) Uani 0.5 1 d D U . B 1
C37 C 0.2938(5) 0.3092(8) 0.1299(8) 0.110(4) Uani 0.5 1 d D U . B 1
C38 C 0.2451(5) 0.2989(8) 0.0653(7) 0.108(4) Uani 0.5 1 d D U . B 1
C39 C 0.2307(6) 0.3450(13) -0.0052(13) 0.112(4) Uani 0.5 1 d D U . B 1
C40 C 0.1741(5) 0.3564(6) -0.0400(7) 0.091(3) Uani 0.5 1 d D U . B 1
C41 C 0.1545(5) 0.4242(7) -0.0768(9) 0.090(3) Uani 0.5 1 d D U . B 1
C42 C 0.1897(5) 0.4811(6) -0.0808(6) 0.094(3) Uani 0.5 1 d D U . B 1
C43 C 0.1745(5) 0.5567(7) -0.0744(10) 0.099(4) Uani 0.5 1 d D U . B 1
C44 C 0.1261(6) 0.5769(7) -0.0543(10) 0.101(4) Uani 0.5 1 d D U . B 1
C45 C 0.1270(6) 0.6471(8) -0.0158(10) 0.107(4) Uani 0.5 1 d D U . B 1
C46 C 0.0970(5) 0.6590(7) 0.0359(8) 0.113(4) Uani 0.5 1 d D U . B 1
C47 C 0.1246(6) 0.7110(11) 0.0930(7) 0.106(4) Uani 0.5 1 d D U . B 1
C48 C 0.1206(6) 0.7112(9) 0.1687(7) 0.105(4) Uani 0.5 1 d D U . B 1
C49 C 0.0861(6) 0.6614(8) 0.1902(8) 0.108(4) Uani 0.5 1 d D U . B 1
C50 C 0.1084(5) 0.6434(7) 0.2703(8) 0.094(3) Uani 0.5 1 d D U . B 1
C51 C 0.1596(6) 0.6809(8) 0.2991(8) 0.099(4) Uani 0.5 1 d D U . B 1
C52 C 0.2027(6) 0.6498(11) 0.3544(12) 0.099(4) Uani 0.5 1 d D U . B 1
C53 C 0.1938(5) 0.5852(6) 0.3922(8) 0.086(3) Uani 0.5 1 d D U . B 1
C54 C 0.2349(4) 0.5266(6) 0.4170(7) 0.080(3) Uani 0.5 1 d D U . B 1
C55 C 0.2852(5) 0.5289(6) 0.3990(8) 0.092(4) Uani 0.5 1 d D U . B 1
C56 C 0.3050(5) 0.4627(6) 0.3723(8) 0.101(4) Uani 0.5 1 d D U . B 1
C57 C 0.3335(7) 0.4683(6) 0.3147(8) 0.107(4) Uani 0.5 1 d D U . B 1
C58 C 0.3356(5) 0.4000(6) 0.2650(7) 0.101(4) Uani 0.5 1 d D U . B 1
C59 C 0.3494(7) 0.4127(8) 0.1925(7) 0.112(4) Uani 0.5 1 d D U . B 1
C60 C 0.3272(6) 0.3678(8) 0.1275(8) 0.115(4) Uani 0.5 1 d D U . B 1
C61 C 0.3169(6) 0.4112(8) 0.0589(8) 0.108(4) Uani 0.5 1 d D U . B 1
C62 C 0.2674(5) 0.4053(8) -0.0065(8) 0.104(4) Uani 0.5 1 d D U . B 1
C63 C 0.2452(5) 0.4738(7) -0.0483(9) 0.111(4) Uani 0.5 1 d D U . B 1
C64 C 0.2671(5) 0.5472(8) -0.0243(9) 0.105(4) Uani 0.5 1 d D U . B 1
C65 C 0.2225(5) 0.5971(7) -0.0427(8) 0.103(3) Uani 0.5 1 d D U . B 1
C66 C 0.2244(6) 0.6614(13) 0.0078(13) 0.110(4) Uani 0.5 1 d D U . B 1
C67 C 0.1758(6) 0.6892(8) 0.0119(9) 0.107(4) Uani 0.5 1 d D U . B 1
C68 C 0.1755(6) 0.7258(11) 0.0830(8) 0.115(4) Uani 0.5 1 d D U . B 1
C69 C 0.2212(6) 0.7379(14) 0.1472(8) 0.116(4) Uani 0.5 1 d D U . B 1
C70 C 0.2177(6) 0.7349(15) 0.2256(8) 0.106(4) Uani 0.5 1 d D U . B 1
C71 C 0.1659(5) 0.7245(10) 0.2348(7) 0.104(4) Uani 0.5 1 d D U . B 1
C72 C 0.2615(5) 0.7065(8) 0.2857(8) 0.097(4) Uani 0.5 1 d D U . B 1
C73 C 0.2535(5) 0.6619(8) 0.3509(8) 0.097(3) Uani 0.5 1 d D U . B 1
C74 C 0.2933(6) 0.6019(7) 0.3662(9) 0.100(4) Uani 0.5 1 d D U . B 1
C75 C 0.3241(5) 0.6099(7) 0.3149(8) 0.102(4) Uani 0.5 1 d D U . B 1
C76 C 0.3432(8) 0.5394(7) 0.2867(9) 0.111(4) Uani 0.5 1 d D U . B 1
C77 C 0.3558(7) 0.5476(7) 0.2132(8) 0.111(4) Uani 0.5 1 d D U . B 1
C78 C 0.3554(5) 0.4850(7) 0.1652(7) 0.098(3) Uani 0.5 1 d D U . B 1
C79 C 0.3365(5) 0.4836(8) 0.0832(8) 0.104(3) Uani 0.5 1 d D U . B 1
C80 C 0.3132(7) 0.5518(8) 0.0432(9) 0.106(4) Uani 0.5 1 d D U . B 1
C81 C 0.3170(7) 0.6195(9) 0.0903(9) 0.111(4) Uani 0.5 1 d D U . B 1
C82 C 0.2749(5) 0.6734(8) 0.0679(8) 0.106(4) Uani 0.5 1 d D U . B 1
C83 C 0.2718(6) 0.7110(10) 0.1391(9) 0.117(4) Uani 0.5 1 d D U . B 1
C84 C 0.3156(6) 0.6837(10) 0.2007(9) 0.115(4) Uani 0.5 1 d D U . B 1
C85 C 0.3014(7) 0.6706(10) 0.2603(10) 0.116(4) Uani 0.5 1 d D U . B 1
C86 C 0.3393(7) 0.6218(8) 0.1756(9) 0.115(4) Uani 0.5 1 d D U . B 1
C1S C 0.4048(4) 0.500000 -0.0611(6) 0.073(3) Uani 1 2 d S T P C 4
H1S H 0.430625 0.500001 -0.009793 0.088 Uiso 1 2 calc RS T P C 4
C2S C 0.3861(3) 0.5676(4) -0.0982(4) 0.070(2) Uani 1 1 d . . . C 4
H2S H 0.397436 0.613359 -0.071658 0.084 Uiso 1 1 calc R . . C 4
C3S C 0.3523(4) 0.5663(4) -0.1709(5) 0.090(3) Uani 1 1 d . . . C 4
H3S H 0.338038 0.611835 -0.195684 0.108 Uiso 1 1 calc R . . C 4
C4S C 0.3371(5) 0.500000 -0.2125(7) 0.090(4) Uani 1 2 d S T P C 4
H4S H 0.316947 0.500000 -0.267157 0.108 Uiso 1 2 calc RS T P C 4
Ni1P Ni 0.44843(4) 0.51384(18) 0.41119(6) 0.0297(9) Uani 0.5 1 d . U . D -1
N1P N 0.4247(6) 0.5888(8) 0.4731(9) 0.028(3) Uani 0.5 1 d . U . D -1
N2P N 0.4645(5) 0.5906(8) 0.3439(8) 0.032(3) Uani 0.5 1 d . U . D -1
N3P N 0.4692(6) 0.4387(6) 0.3492(8) 0.033(3) Uani 0.5 1 d . U . D -1
N4P N 0.4311(6) 0.4364(7) 0.4736(10) 0.030(3) Uani 0.5 1 d . U . D -1
C1P C 0.4233(6) 0.6649(8) 0.4643(10) 0.030(3) Uani 0.5 1 d . U . D -1
C2P C 0.4391(5) 0.7022(8) 0.4064(9) 0.034(3) Uani 0.5 1 d . U . D -1
H2P H 0.435806 0.754827 0.404089 0.040 Uiso 0.5 1 calc R . . D -1
C3P C 0.4592(5) 0.6675(8) 0.3519(9) 0.034(3) Uani 0.5 1 d . U . D -1
C4P C 0.4745(5) 0.7074(10) 0.2912(8) 0.035(3) Uani 0.5 1 d . U . D -1
C5P C 0.4892(6) 0.6555(8) 0.2481(9) 0.038(3) Uani 0.5 1 d . U . D -1
C6P C 0.4832(5) 0.5845(9) 0.2801(8) 0.031(3) Uani 0.5 1 d . U . D -1
C7P C 0.4944(3) 0.5166(6) 0.2531(6) 0.034(3) Uani 0.5 1 d . U . D -1
H7P H 0.507863 0.516438 0.209481 0.041 Uiso 0.5 1 calc R . . D -1
C8P C 0.4876(6) 0.4490(9) 0.2849(9) 0.034(3) Uani 0.5 1 d . U . D -1
C9P C 0.4972(6) 0.3779(9) 0.2513(8) 0.036(3) Uani 0.5 1 d . U . D -1
C10P C 0.4857(6) 0.3250(8) 0.2972(9) 0.039(3) Uani 0.5 1 d . U . D -1
C11P C 0.4678(5) 0.3638(10) 0.3551(8) 0.032(3) Uani 0.5 1 d . U . D -1
C12P C 0.4521(5) 0.3244(8) 0.4124(9) 0.033(3) Uani 0.5 1 d . U . D -1
H12P H 0.453960 0.271669 0.413079 0.040 Uiso 0.5 1 calc R . . D -1
C13P C 0.4346(6) 0.3590(10) 0.4660(10) 0.033(3) Uani 0.5 1 d . U . D -1
C14P C 0.4157(6) 0.3211(8) 0.5256(10) 0.036(3) Uani 0.5 1 d . U . D -1
C15P C 0.4002(7) 0.3749(10) 0.5666(12) 0.032(3) Uani 0.5 1 d . U . D -1
C16P C 0.4096(8) 0.4445(10) 0.5370(13) 0.031(3) Uani 0.5 1 d . U . D -1
C17P C 0.3985(3) 0.5109(12) 0.5649(5) 0.030(3) Uani 0.5 1 d . U . D -1
H17P H 0.385292 0.510078 0.608720 0.036 Uiso 0.5 1 calc R . . D -1
C18P C 0.4049(8) 0.5791(9) 0.5342(12) 0.027(3) Uani 0.5 1 d . U . D -1
C19P C 0.3915(7) 0.6485(8) 0.5633(12) 0.031(3) Uani 0.5 1 d . U . D -1
C20P C 0.4024(6) 0.7020(9) 0.5178(9) 0.033(3) Uani 0.5 1 d . U . D -1
C21P C 0.3943(6) 0.7836(8) 0.5202(10) 0.038(3) Uani 0.5 1 d . U . D -1
H21A H 0.423899 0.809296 0.507569 0.046 Uiso 0.5 1 calc R . . D -1
H21B H 0.396058 0.797992 0.574577 0.046 Uiso 0.5 1 calc R . . D -1
C22P C 0.3412(6) 0.8099(11) 0.4632(11) 0.048(4) Uani 0.5 1 d . U . D -1
H22A H 0.340400 0.799932 0.408773 0.072 Uiso 0.5 1 calc GR . . D -1
H22B H 0.337237 0.863367 0.470031 0.072 Uiso 0.5 1 calc GR . . D -1
H22C H 0.311654 0.783316 0.473859 0.072 Uiso 0.5 1 calc GR . . D -1
C23P C 0.4719(6) 0.7881(8) 0.2800(9) 0.042(3) Uani 0.5 1 d . U . D -1
H23A H 0.495245 0.802411 0.248409 0.050 Uiso 0.5 1 calc R . . D -1
H23B H 0.486089 0.812468 0.332323 0.050 Uiso 0.5 1 calc R . . D -1
C24P C 0.4147(6) 0.8169(10) 0.2385(10) 0.057(4) Uani 0.5 1 d . U . D -1
H24A H 0.400839 0.794527 0.185795 0.086 Uiso 0.5 1 calc GR . . D -1
H24B H 0.415574 0.871110 0.233356 0.086 Uiso 0.5 1 calc GR . . D -1
H24C H 0.391401 0.803577 0.269701 0.086 Uiso 0.5 1 calc GR . . D -1
C25P C 0.5067(6) 0.6665(8) 0.1762(9) 0.043(3) Uani 0.5 1 d . U . D -1
H25A H 0.526891 0.713722 0.182351 0.051 Uiso 0.5 1 calc R . . D -1
H25B H 0.531602 0.625843 0.174282 0.051 Uiso 0.5 1 calc R . . D -1
C26P C 0.4633(9) 0.6683(10) 0.1010(12) 0.056(4) Uani 0.5 1 d . U . D -1
H26A H 0.478539 0.673151 0.057681 0.084 Uiso 0.5 1 calc GR . . D -1
H26B H 0.439873 0.710854 0.100385 0.084 Uiso 0.5 1 calc GR . . D -1
H26C H 0.442479 0.622292 0.094546 0.084 Uiso 0.5 1 calc GR . . D -1
C27P C 0.5170(6) 0.3686(9) 0.1824(8) 0.043(3) Uani 0.5 1 d . U . D -1
H27A H 0.537396 0.321457 0.188381 0.052 Uiso 0.5 1 calc R . . D -1
H27B H 0.541941 0.409720 0.182028 0.052 Uiso 0.5 1 calc R . . D -1
C28P C 0.4721(9) 0.3676(12) 0.1042(13) 0.070(5) Uani 0.5 1 d . U . D -1
H28A H 0.487419 0.364550 0.060818 0.106 Uiso 0.5 1 calc GR . . D -1
H28B H 0.450865 0.413179 0.098887 0.106 Uiso 0.5 1 calc GR . . D -1
H28C H 0.449021 0.324410 0.102375 0.106 Uiso 0.5 1 calc GR . . D -1
C29P C 0.4902(6) 0.2423(11) 0.2900(9) 0.053(3) Uani 0.5 1 d . U . D -1
H29A H 0.501488 0.220835 0.343924 0.064 Uiso 0.5 1 calc R . . D -1
H29B H 0.519192 0.232061 0.266954 0.064 Uiso 0.5 1 calc R . . D -1
C30P C 0.4402(9) 0.2023(13) 0.2411(17) 0.108(8) Uani 0.5 1 d . U . D -1
H30A H 0.429314 0.221240 0.186765 0.161 Uiso 0.5 1 calc GR . . D -1
H30B H 0.411294 0.210611 0.263838 0.161 Uiso 0.5 1 calc GR . . D -1
H30C H 0.447630 0.148906 0.240800 0.161 Uiso 0.5 1 calc GR . . D -1
C31P C 0.4128(6) 0.2371(10) 0.5325(10) 0.042(3) Uani 0.5 1 d . U . D -1
H31A H 0.444543 0.214645 0.522926 0.051 Uiso 0.5 1 calc R . . D -1
H31B H 0.414118 0.224293 0.587125 0.051 Uiso 0.5 1 calc R . . D -1
C32P C 0.3631(7) 0.2044(11) 0.4759(13) 0.057(5) Uani 0.5 1 d . U . D -1
H32A H 0.362537 0.214323 0.421553 0.085 Uiso 0.5 1 calc GR . . D -1
H32B H 0.331427 0.226853 0.484545 0.085 Uiso 0.5 1 calc GR . . D -1
H32C H 0.362774 0.150650 0.484306 0.085 Uiso 0.5 1 calc GR . . D -1
C33P C 0.3765(8) 0.3631(12) 0.6345(15) 0.034(4) Uani 0.5 1 d . U . D -1
H33A H 0.392410 0.399899 0.676673 0.041 Uiso 0.5 1 calc R . . D -1
H33B H 0.386497 0.312931 0.657205 0.041 Uiso 0.5 1 calc R . . D -1
C34P C 0.3143(12) 0.3709(16) 0.6068(19) 0.035(5) Uani 0.5 1 d . U . D -1
H34A H 0.298379 0.334986 0.564560 0.052 Uiso 0.5 1 calc GR . . D -1
H34B H 0.304285 0.421376 0.586868 0.052 Uiso 0.5 1 calc GR . . D -1
H34C H 0.301054 0.361371 0.651438 0.052 Uiso 0.5 1 calc GR . . D -1
C35P C 0.3655(8) 0.6551(12) 0.6267(15) 0.035(4) Uani 0.5 1 d . U . D -1
H35A H 0.381281 0.617558 0.668059 0.043 Uiso 0.5 1 calc R . . D -1
H35B H 0.373539 0.704818 0.651408 0.043 Uiso 0.5 1 calc R . . D -1
C36P C 0.3061(14) 0.6447(17) 0.597(2) 0.049(6) Uani 0.5 1 d . U . D -1
H36A H 0.290014 0.682664 0.556684 0.074 Uiso 0.5 1 calc GR . . D -1
H36B H 0.291381 0.649269 0.640482 0.074 Uiso 0.5 1 calc GR . . D -1
H36C H 0.297781 0.595268 0.572729 0.074 Uiso 0.5 1 calc GR . . D -1


_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
N1 Sc1 2.106(7) 6_565 ?
N1 Sc1 2.106(7) . ?
N1 Sc2 2.005(5) 6_565 ?
N1 Sc2 2.005(5) . ?
N1 Sc3 2.076(6) 6_565 ?
N1 Sc3 2.076(6) . ?
N1 Sc4 2.067(10) . ?
N1 Sc4 2.067(10) 6_565 ?
N1 Sc5 2.210(7) 6_565 ?
N1 Sc5 2.210(7) . ?
N1 Sc6 1.929(8) . ?
N1 Sc6 1.929(8) 6_565 ?
Sc1 Sc1 2.318(12) 6_565 ?
Sc1 Sc2 3.433(7) . ?
Sc1 Sc2 1.964(8) 6_565 ?
Sc1 Sc3 3.708(6) . ?
Sc2 Sc2 3.419(9) 6_565 ?
Sc2 Sc3 3.519(6) . ?
Sc2 Sc3 2.731(5) 6_565 ?
Sc3 Sc3 1.440(9) 6_565 ?
Sc4 Sc4 0.68(3) 6_565 ?
Sc4 Sc5 3.649(11) . ?
Sc4 Sc6 3.453(11) . ?
Sc4 Sc6 3.240(13) 6_565 ?
Sc5 Sc5 3.036(15) 6_565 ?
Sc5 Sc6 3.540(10) . ?
Sc5 Sc6 2.487(10) 6_565 ?
Sc6 Sc6 2.091(19) 6_565 ?
C1 C2 1.403(12) . ?
C1 C5 1.385(12) . ?
C1 C9 1.334(10) . ?
C1 C25 1.102(16) 6_565 ?
C1 C48 1.689(18) 6_565 ?
C1 C49 0.384(17) 6_565 ?
C1 C50 1.616(19) 6_565 ?
C2 C3 1.414(13) . ?
C2 C12 1.438(12) . ?
C2 C48 1.344(16) 6_565 ?
C2 C49 1.030(15) 6_565 ?
C2 C50 1.010(16) 6_565 ?
C2 C51 1.321(17) 6_565 ?
C2 C71 1.506(18) 6_565 ?
C3 C4 1.418(13) . ?
C3 C15 1.342(14) . ?
C3 C47 1.774(17) 6_565 ?
C3 C48 0.734(17) 6_565 ?
C3 C49 1.914(18) 6_565 ?
C3 C51 1.915(18) 6_565 ?
C3 C70 1.803(19) 6_565 ?
C3 C71 0.715(16) 6_565 ?
C4 C5 1.389(13) . ?
C4 C18 1.380(14) . ?
C4 C46 1.676(19) 6_565 ?
C4 C47 0.435(18) 6_565 ?
C4 C48 0.967(15) 6_565 ?
C4 C68 1.720(19) 6_565 ?
C5 C6 1.412(12) . ?
C5 C24 1.359(16) 6_565 ?
C5 C25 1.392(16) 6_565 ?
C5 C46 1.425(16) 6_565 ?
C5 C47 1.523(19) 6_565 ?
C5 C48 1.568(17) 6_565 ?
C5 C49 1.496(16) 6_565 ?
C6 C7 1.438(12) . ?
C6 C20 1.396(12) . ?
C6 C23 1.556(18) 6_565 ?
C6 C24 0.37(2) 6_565 ?
C6 C25 1.754(17) 6_565 ?
C6 C46 1.178(18) 6_565 ?
C7 C7 1.33(2) 6_565 ?
C7 C8 1.848(14) 6_565 ?
C7 C8 1.430(12) . ?
C7 C23 1.432(11) . ?
C7 C23 0.888(12) 6_565 ?
C7 C24 1.195(18) 6_565 ?
C7 C25 1.767(15) 6_565 ?
C8 C8 1.03(2) 6_565 ?
C8 C9 1.419(12) . ?
C8 C25 1.411(17) 6_565 ?
C8 C26 0.692(14) 6_565 ?
C8 C26 1.368(12) . ?
C9 C10 1.368(12) . ?
C9 C25 1.112(15) 6_565 ?
C9 C26 0.912(16) 6_565 ?
C9 C27 1.524(18) 6_565 ?
C9 C28 1.968(18) 6_565 ?
C9 C49 1.614(16) 6_565 ?
C9 C50 1.948(17) 6_565 ?
C10 C10 1.92(2) 6_565 ?
C10 C11 1.446(13) . ?
C10 C26 1.603(15) 6_565 ?
C10 C27 0.570(18) 6_565 ?
C10 C27 1.401(13) . ?
C10 C28 0.911(16) 6_565 ?
C10 C50 1.868(18) 6_565 ?
C11 C12 1.401(13) . ?
C11 C27 1.868(17) 6_565 ?
C11 C28 0.550(17) 6_565 ?
C11 C29 1.020(16) 6_565 ?
C11 C30 1.424(12) . ?
C11 C50 1.448(18) 6_565 ?
C11 C53 1.965(17) 6_565 ?
C12 C13 1.415(13) . ?
C12 C28 1.686(19) 6_565 ?
C12 C50 0.935(16) 6_565 ?
C12 C51 0.845(17) 6_565 ?
C12 C52 1.589(19) 6_565 ?
C12 C53 2.038(17) 6_565 ?
C13 C14 1.469(12) . ?
C13 C32 1.506(11) . ?
C13 C51 1.087(17) 6_565 ?
C13 C52 0.33(2) 6_565 ?
C13 C53 1.647(17) 6_565 ?
C13 C73 1.510(17) 6_565 ?
C14 C15 1.408(14) . ?
C14 C34 1.513(12) . ?
C14 C51 1.765(18) 6_565 ?
C14 C52 1.581(19) 6_565 ?
C14 C70 1.432(19) 6_565 ?
C14 C71 1.691(18) 6_565 ?
C14 C72 1.070(17) 6_565 ?
C14 C73 1.196(17) 6_565 ?
C15 C16 1.381(14) . ?
C15 C48 2.04(2) 6_565 ?
C15 C69 1.72(2) 6_565 ?
C15 C70 0.512(19) 6_565 ?
C15 C71 0.931(18) 6_565 ?
C15 C72 1.72(2) 6_565 ?
C16 C17 1.429(14) . ?
C16 C36 1.436(14) . ?
C16 C68 1.880(19) 6_565 ?
C16 C69 0.551(18) 6_565 ?
C16 C70 0.985(18) 6_565 ?
C16 C72 1.905(18) 6_565 ?
C16 C83 1.57(2) 6_565 ?
C17 C18 1.440(14) . ?
C17 C38 1.428(14) . ?
C17 C67 1.66(2) 6_565 ?
C17 C68 0.772(17) 6_565 ?
C17 C69 0.878(17) 6_565 ?
C17 C83 1.702(19) 6_565 ?
C18 C19 1.396(14) . ?
C18 C45 1.858(19) 6_565 ?
C18 C46 1.699(19) 6_565 ?
C18 C47 0.990(18) 6_565 ?
C18 C67 1.405(19) 6_565 ?
C18 C68 0.681(18) 6_565 ?
C19 C20 1.412(13) . ?
C19 C40 1.461(13) . ?
C19 C44 1.923(19) 6_565 ?
C19 C45 0.524(18) 6_565 ?
C19 C46 1.423(18) 6_565 ?
C19 C47 1.960(18) 6_565 ?
C19 C67 1.051(18) 6_565 ?
C19 C68 1.840(19) 6_565 ?
C20 C21 1.423(13) . ?
C20 C22 1.853(17) 6_565 ?
C20 C23 1.979(15) 6_565 ?
C20 C24 1.703(16) 6_565 ?
C20 C44 1.439(17) 6_565 ?
C20 C45 0.995(17) 6_565 ?
C20 C46 1.148(17) 6_565 ?
C21 C22 0.907(16) 6_565 ?
C21 C22 1.448(12) . ?
C21 C41 1.437(13) . ?
C21 C43 1.893(16) 6_565 ?
C21 C44 0.603(17) 6_565 ?
C21 C45 1.789(18) 6_565 ?
C22 C22 0.62(2) 6_565 ?
C22 C23 1.461(12) . ?
C22 C23 1.650(12) 6_565 ?
C22 C44 1.948(18) 6_565 ?
C22 C44 1.443(12) . ?
C23 C23 0.95(2) 6_565 ?
C23 C24 1.489(12) . ?
C24 C25 1.436(12) . ?
C24 C46 1.439(12) . ?
C25 C26 1.433(12) . ?
C25 C49 1.447(12) . ?
C26 C26 1.35(2) 6_565 ?
C26 C27 1.409(12) . ?
C26 C27 1.771(16) 6_565 ?
C27 C27 0.85(2) 6_565 ?
C27 C28 1.382(14) . ?
C28 C29 1.433(14) . ?
C28 C30 1.795(17) 6_565 ?
C28 C50 1.399(14) . ?
C29 C29 1.76(3) 6_565 ?
C29 C30 1.442(12) . ?
C29 C30 0.419(18) 6_565 ?
C29 C31 1.632(16) 6_565 ?
C29 C53 1.425(13) . ?
C30 C30 1.08(2) 6_565 ?
C30 C31 1.424(12) . ?
C30 C31 1.916(16) 6_565 ?
C30 C53 1.454(19) 6_565 ?
C31 C31 1.52(2) 6_565 ?
C31 C32 1.366(9) . ?
C31 C53 0.867(16) 6_565 ?
C31 C54 0.737(14) 6_565 ?
C31 C54 1.414(11) . ?
C32 C33 1.412(11) . ?
C32 C52 1.182(17) 6_565 ?
C32 C53 1.050(15) 6_565 ?
C32 C54 1.474(16) 6_565 ?
C32 C55 1.961(16) 6_565 ?
C32 C73 1.507(16) 6_565 ?
C32 C74 1.852(17) 6_565 ?
C33 C34 1.430(12) . ?
C33 C55 1.462(18) 6_565 ?
C33 C56 1.450(11) . ?
C33 C73 1.231(17) 6_565 ?
C33 C74 0.482(19) 6_565 ?
C33 C75 1.868(17) 6_565 ?
C34 C35 1.416(13) . ?
C34 C72 1.028(17) 6_565 ?
C34 C73 0.960(15) 6_565 ?
C34 C74 1.341(16) 6_565 ?
C34 C75 1.571(17) 6_565 ?
C34 C85 1.424(19) 6_565 ?
C35 C36 1.519(13) . ?
C35 C58 1.435(13) . ?
C35 C72 1.58(2) 6_565 ?
C35 C75 1.264(19) 6_565 ?
C35 C84 1.400(19) 6_565 ?
C35 C85 0.39(3) 6_565 ?
C36 C37 1.418(13) . ?
C36 C69 1.700(19) 6_565 ?
C36 C70 1.97(2) 6_565 ?
C36 C72 1.783(18) 6_565 ?
C36 C83 1.051(18) 6_565 ?
C36 C84 0.96(2) 6_565 ?
C36 C85 1.230(19) 6_565 ?
C37 C38 1.436(13) . ?
C37 C60 1.381(10) . ?
C37 C81 1.670(18) 6_565 ?
C37 C82 1.103(18) 6_565 ?
C37 C83 0.743(18) 6_565 ?
C37 C84 1.218(19) 6_565 ?
C37 C86 1.737(18) 6_565 ?
C38 C39 1.454(14) . ?
C38 C66 1.227(19) 6_565 ?
C38 C67 1.778(18) 6_565 ?
C38 C68 2.00(2) 6_565 ?
C38 C69 1.882(19) 6_565 ?
C38 C82 0.918(19) 6_565 ?
C38 C83 1.293(19) 6_565 ?
C39 C40 1.433(14) . ?
C39 C62 1.457(14) . ?
C39 C65 1.22(2) 6_565 ?
C39 C66 0.35(3) 6_565 ?
C39 C67 1.68(2) 6_565 ?
C39 C82 1.484(19) 6_565 ?
C40 C41 1.404(13) . ?
C40 C43 1.681(19) 6_565 ?
C40 C44 1.701(17) 6_565 ?
C40 C45 1.434(18) 6_565 ?
C40 C65 1.537(17) 6_565 ?
C40 C66 1.364(19) 6_565 ?
C40 C67 1.227(17) 6_565 ?
C41 C42 1.396(9) . ?
C41 C42 1.951(19) 6_565 ?
C41 C43 0.618(15) 6_565 ?
C41 C44 0.954(17) 6_565 ?
C41 C45 1.963(18) 6_565 ?
C41 C65 1.74(2) 6_565 ?
C42 C42 0.68(2) 6_565 ?
C42 C43 0.815(16) 6_565 ?
C42 C43 1.433(13) . ?
C42 C63 1.607(14) 6_565 ?
C42 C63 1.393(12) . ?
C42 C64 2.027(16) 6_565 ?
C42 C65 1.678(19) 6_565 ?
C43 C44 1.472(13) . ?
C43 C63 1.849(16) 6_565 ?
C43 C65 1.410(14) . ?
C44 C45 1.436(13) . ?
C45 C46 1.405(14) . ?
C45 C67 1.436(14) . ?
C46 C47 1.403(13) . ?
C47 C48 1.385(10) . ?
C47 C68 1.430(14) . ?
C48 C49 1.412(13) . ?
C48 C71 1.405(13) . ?
C49 C50 1.399(14) . ?
C50 C51 1.445(14) . ?
C51 C52 1.364(14) . ?
C51 C71 1.442(14) . ?
C52 C53 1.402(14) . ?
C52 C73 1.372(14) . ?
C53 C54 1.473(13) . ?
C54 C54 0.96(2) 6_565 ?
C54 C55 1.764(13) 6_565 ?
C54 C55 1.455(12) . ?
C55 C55 1.04(2) 6_565 ?
C55 C56 1.440(12) . ?
C55 C56 0.824(13) 6_565 ?
C55 C74 1.481(12) . ?
C56 C56 1.34(2) 6_565 ?
C56 C57 1.454(12) . ?
C56 C57 1.909(14) 6_565 ?
C56 C74 1.199(18) 6_565 ?
C56 C75 1.825(17) 6_565 ?
C57 C57 1.14(2) 6_565 ?
C57 C58 1.527(12) . ?
C57 C75 1.429(18) 6_565 ?
C57 C76 1.426(12) . ?
C57 C76 0.644(14) 6_565 ?
C58 C59 1.467(12) . ?
C58 C75 1.041(16) 6_565 ?
C58 C76 1.153(18) 6_565 ?
C58 C77 1.526(18) 6_565 ?
C58 C84 1.86(2) 6_565 ?
C58 C85 1.54(2) 6_565 ?
C58 C86 1.673(18) 6_565 ?
C59 C60 1.380(13) . ?
C59 C76 1.940(16) 6_565 ?
C59 C77 0.797(18) 6_565 ?
C59 C78 1.415(14) . ?
C59 C78 1.92(2) 6_565 ?
C59 C81 1.843(19) 6_565 ?
C59 C84 1.98(2) 6_565 ?
C59 C86 0.704(18) 6_565 ?
C60 C61 1.404(13) . ?
C60 C80 2.03(2) 6_565 ?
C60 C81 0.672(18) 6_565 ?
C60 C82 1.624(18) 6_565 ?
C60 C84 1.71(2) 6_565 ?
C60 C86 0.836(17) 6_565 ?
C61 C62 1.448(13) . ?
C61 C64 1.80(2) 6_565 ?
C61 C79 1.418(14) . ?
C61 C79 1.97(2) 6_565 ?
C61 C80 0.72(2) 6_565 ?
C61 C81 0.786(18) 6_565 ?
C61 C82 1.92(2) 6_565 ?
C62 C63 1.464(13) . ?
C62 C64 0.911(19) 6_565 ?
C62 C65 1.151(17) 6_565 ?
C62 C66 1.72(2) 6_565 ?
C62 C80 1.47(2) 6_565 ?
C62 C81 1.86(2) 6_565 ?
C62 C82 1.908(19) 6_565 ?
C63 C63 0.94(2) 6_565 ?
C63 C64 1.450(14) . ?
C63 C64 0.708(14) 6_565 ?
C63 C65 1.426(19) 6_565 ?
C64 C64 1.70(3) 6_565 ?
C64 C65 1.429(14) . ?
C64 C80 1.413(14) . ?
C65 C66 1.457(15) . ?
C66 C67 1.392(14) . ?
C66 C82 1.434(14) . ?
C67 C68 1.432(14) . ?
C68 C69 1.388(14) . ?
C69 C70 1.431(15) . ?
C69 C83 1.464(14) . ?
C70 C71 1.433(14) . ?
C70 C72 1.397(14) . ?
C72 C73 1.481(14) . ?
C72 C85 1.422(15) . ?
C73 C74 1.466(14) . ?
C74 C75 1.409(14) . ?
C75 C76 1.508(12) . ?
C75 C85 1.458(15) . ?
C76 C76 1.42(2) 6_565 ?
C76 C77 1.456(13) . ?
C77 C77 1.72(3) 6_565 ?
C77 C78 1.034(17) 6_565 ?
C77 C78 1.413(13) . ?
C77 C86 1.495(13) . ?
C78 C78 0.54(3) 6_565 ?
C78 C79 1.498(13) 6_565 ?
C78 C79 1.387(13) . ?
C78 C86 1.99(2) 6_565 ?
C79 C79 0.59(3) 6_565 ?
C79 C80 1.454(15) . ?
C79 C80 1.007(19) 6_565 ?
C79 C81 1.94(2) 6_565 ?
C80 C80 1.87(3) 6_565 ?
C80 C81 1.464(15) . ?
C81 C82 1.429(15) . ?
C81 C86 1.447(15) . ?
C82 C83 1.464(15) . ?
C83 C84 1.403(15) . ?
C84 C85 1.25(2) . ?
C84 C86 1.416(15) . ?
C1S C2S 1.397(9) . ?
C1S C2S 1.397(9) 6_565 ?
C2S C3S 1.319(10) . ?
C3S C4S 1.395(9) . ?
Ni1P N1P 1.965(14) . ?
Ni1P N2P 1.962(15) . ?
Ni1P N3P 1.931(13) . ?
Ni1P N4P 1.925(14) . ?
N1P C1P 1.377(18) . ?
N1P C18P 1.36(3) . ?
N2P C3P 1.403(17) . ?
N2P C6P 1.38(2) . ?
N3P C8P 1.39(2) . ?
N3P C11P 1.355(19) . ?
N4P C13P 1.41(2) . ?
N4P C16P 1.42(3) . ?
C1P C2P 1.40(2) . ?
C1P C20P 1.41(2) . ?
C2P C3P 1.39(2) . ?
C3P C4P 1.46(2) . ?
C4P C5P 1.34(2) . ?
C4P C23P 1.47(2) . ?
C5P C6P 1.429(19) . ?
C5P C25P 1.50(2) . ?
C6P C7P 1.380(18) . ?
C7P C8P 1.38(2) . ?
C8P C9P 1.467(19) . ?
C9P C10P 1.35(2) . ?
C9P C27P 1.49(2) . ?
C10P C11P 1.444(19) . ?
C10P C29P 1.50(2) . ?
C11P C12P 1.41(2) . ?
C12P C13P 1.34(2) . ?
C13P C14P 1.47(2) . ?
C14P C15P 1.35(2) . ?
C14P C31P 1.52(2) . ?
C15P C16P 1.41(2) . ?
C15P C33P 1.54(3) . ?
C16P C17P 1.36(3) . ?
C17P C18P 1.38(2) . ?
C18P C19P 1.44(2) . ?
C19P C20P 1.35(2) . ?
C19P C35P 1.50(3) . ?
C20P C21P 1.49(2) . ?
C21P C22P 1.517(17) . ?
C23P C24P 1.54(2) . ?
C25P C26P 1.46(2) . ?
C27P C28P 1.51(2) . ?
C29P C30P 1.51(2) . ?
C31P C32P 1.494(19) . ?
C33P C34P 1.56(3) . ?
C35P C36P 1.49(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sc1 N1 Sc1 66.8(4) 6_565 . ?
Sc2 N1 Sc1 57.0(3) 6_565 . ?
Sc2 N1 Sc1 113.2(3) . . ?
Sc2 N1 Sc2 117.0(4) 6_565 . ?
Sc2 N1 Sc3 84.0(2) 6_565 . ?
Sc2 N1 Sc3 119.1(3) . . ?
Sc3 N1 Sc1 162.5(3) 6_565 . ?
Sc3 N1 Sc1 124.9(2) . . ?
Sc4 N1 Sc5 133.0(5) 6_565 . ?
Sc4 N1 Sc5 117.1(4) . . ?
Sc6 N1 Sc4 108.3(5) 6_565 . ?
Sc6 N1 Sc4 119.5(4) . . ?
Sc6 N1 Sc5 73.5(3) 6_565 . ?
Sc6 N1 Sc5 117.5(4) . . ?
N1 Sc1 Sc1 56.61(19) . 6_565 ?
N1 Sc1 Sc2 32.45(16) . . ?
N1 Sc1 Sc3 27.35(14) . . ?
Sc1 Sc1 Sc2 33.32(15) 6_565 . ?
Sc1 Sc1 Sc3 83.20(12) 6_565 . ?
Sc2 Sc1 N1 58.9(2) 6_565 . ?
Sc2 Sc1 Sc2 73.0(3) 6_565 . ?
Sc2 Sc1 Sc3 58.90(13) . . ?
Sc2 Sc1 Sc3 45.84(16) 6_565 . ?
N1 Sc2 Sc1 34.31(19) . . ?
N1 Sc2 Sc2 31.5(2) . 6_565 ?
N1 Sc2 Sc3 31.0(2) . . ?
N1 Sc2 Sc3 49.1(2) . 6_565 ?
Sc1 Sc2 N1 64.1(3) 6_565 . ?
Sc1 Sc2 Sc1 40.4(2) 6_565 . ?
Sc1 Sc2 Sc3 64.45(13) . . ?
Sc1 Sc2 Sc3 93.5(2) 6_565 . ?
Sc2 Sc2 Sc1 33.32(15) 6_565 . ?
Sc2 Sc2 Sc3 46.33(10) 6_565 . ?
Sc3 Sc2 Sc1 83.39(15) 6_565 . ?
Sc3 Sc2 Sc3 22.43(15) 6_565 . ?
N1 Sc3 Sc1 27.78(13) . . ?
N1 Sc3 Sc2 29.84(14) . . ?
N1 Sc3 Sc2 46.89(14) . 6_565 ?
Sc2 Sc3 Sc1 31.07(14) 6_565 . ?
Sc2 Sc3 Sc1 56.65(12) . . ?
Sc2 Sc3 Sc2 64.91(18) 6_565 . ?
Sc3 Sc3 N1 69.70(14) 6_565 . ?
Sc3 Sc3 Sc1 96.80(12) 6_565 . ?
Sc3 Sc3 Sc2 46.33(10) 6_565 . ?
N1 Sc4 Sc5 32.6(2) . . ?
N1 Sc4 Sc6 29.1(2) . . ?
N1 Sc4 Sc6 34.4(3) . 6_565 ?
Sc4 Sc4 N1 80.5(4) 6_565 . ?
Sc4 Sc4 Sc5 108.8(2) 6_565 . ?
Sc4 Sc4 Sc6 66.3(3) 6_565 . ?
Sc6 Sc4 Sc5 41.8(2) 6_565 . ?
Sc6 Sc4 Sc5 59.7(2) . . ?
Sc6 Sc4 Sc6 36.2(4) 6_565 . ?
N1 Sc5 Sc4 30.3(2) . . ?
N1 Sc5 Sc5 46.6(2) . 6_565 ?
N1 Sc5 Sc6 28.9(2) . . ?
N1 Sc5 Sc6 48.0(3) . 6_565 ?
Sc5 Sc5 Sc4 71.2(2) 6_565 . ?
Sc5 Sc5 Sc6 43.60(18) 6_565 . ?
Sc6 Sc5 Sc4 60.3(3) 6_565 . ?
Sc6 Sc5 Sc4 57.4(2) . . ?
Sc6 Sc5 Sc6 35.5(4) 6_565 . ?
N1 Sc6 Sc4 31.4(3) . . ?
N1 Sc6 Sc4 37.3(3) . 6_565 ?
N1 Sc6 Sc5 33.6(3) . . ?
N1 Sc6 Sc5 58.4(3) . 6_565 ?
N1 Sc6 Sc6 57.2(3) . 6_565 ?
Sc4 Sc6 Sc4 11.1(4) 6_565 . ?
Sc4 Sc6 Sc5 62.9(2) . . ?
Sc4 Sc6 Sc5 70.5(2) 6_565 . ?
Sc5 Sc6 Sc4 80.9(3) 6_565 . ?
Sc5 Sc6 Sc5 57.3(3) 6_565 . ?
Sc6 Sc6 Sc4 66.3(3) 6_565 . ?
Sc6 Sc6 Sc5 43.60(18) 6_565 . ?
C2 C1 C48 50.5(6) . 6_565 ?
C2 C1 C50 38.3(7) . 6_565 ?
C5 C1 C2 110.3(7) . . ?
C5 C1 C48 60.4(6) . 6_565 ?
C5 C1 C50 142.7(12) . 6_565 ?
C9 C1 C2 120.0(10) . . ?
C9 C1 C5 120.2(10) . . ?
C9 C1 C48 158.0(16) . 6_565 ?
C9 C1 C50 82.0(8) . 6_565 ?
C25 C1 C2 149.9(16) 6_565 . ?
C25 C1 C5 67.0(10) 6_565 . ?
C25 C1 C9 53.3(9) 6_565 . ?
C25 C1 C48 122.5(13) 6_565 6_565 ?
C25 C1 C50 127.0(13) 6_565 6_565 ?
C49 C1 C2 12(3) 6_565 . ?
C49 C1 C5 99(3) 6_565 . ?
C49 C1 C9 131(3) 6_565 . ?
C49 C1 C25 150(5) 6_565 6_565 ?
C49 C1 C48 39(3) 6_565 6_565 ?
C49 C1 C50 50(3) 6_565 6_565 ?
C50 C1 C48 87.7(9) 6_565 6_565 ?
C1 C2 C3 106.1(7) . . ?
C1 C2 C12 121.7(10) . . ?
C1 C2 C71 132.4(9) . 6_565 ?
C3 C2 C12 123.6(10) . . ?
C3 C2 C71 28.1(7) . 6_565 ?
C12 C2 C71 96.1(9) . 6_565 ?
C48 C2 C1 75.8(8) 6_565 . ?
C48 C2 C3 30.7(7) 6_565 . ?
C48 C2 C12 150.6(13) 6_565 . ?
C48 C2 C71 58.7(8) 6_565 6_565 ?
C49 C2 C1 4.3(10) 6_565 . ?
C49 C2 C3 102.0(11) 6_565 . ?
C49 C2 C12 125.8(13) 6_565 . ?
C49 C2 C48 71.6(9) 6_565 6_565 ?
C49 C2 C51 153.7(17) 6_565 6_565 ?
C49 C2 C71 128.6(14) 6_565 6_565 ?
C50 C2 C1 82.4(11) 6_565 . ?
C50 C2 C3 157.1(16) 6_565 . ?
C50 C2 C12 40.3(9) 6_565 . ?
C50 C2 C48 152.9(15) 6_565 6_565 ?
C50 C2 C49 86.6(13) 6_565 6_565 ?
C50 C2 C51 75.3(10) 6_565 6_565 ?
C50 C2 C71 134.5(14) 6_565 6_565 ?
C51 C2 C1 150.8(12) 6_565 . ?
C51 C2 C3 88.8(10) 6_565 . ?
C51 C2 C12 35.3(8) 6_565 . ?
C51 C2 C48 118.4(12) 6_565 6_565 ?
C51 C2 C71 60.9(8) 6_565 6_565 ?
C2 C3 C4 107.5(7) . . ?
C2 C3 C47 114.1(9) . 6_565 ?
C2 C3 C49 31.8(5) . 6_565 ?
C2 C3 C51 43.6(7) . 6_565 ?
C2 C3 C70 127.1(11) . 6_565 ?
C4 C3 C47 9.1(10) . 6_565 ?
C4 C3 C49 75.8(7) . 6_565 ?
C4 C3 C51 144.9(10) . 6_565 ?
C4 C3 C70 114.3(11) . 6_565 ?
C15 C3 C2 122.0(11) . . ?
C15 C3 C4 122.3(12) . . ?
C15 C3 C47 113.4(11) . 6_565 ?
C15 C3 C49 146.4(14) . 6_565 ?
C15 C3 C51 78.6(9) . 6_565 ?
C15 C3 C70 8.2(11) . 6_565 ?
C47 C3 C49 82.6(7) 6_565 6_565 ?
C47 C3 C51 146.8(13) 6_565 6_565 ?
C47 C3 C70 105.4(10) 6_565 6_565 ?
C48 C3 C2 69.4(14) 6_565 . ?
C48 C3 C4 39.2(12) 6_565 . ?
C48 C3 C15 157(2) 6_565 . ?
C48 C3 C47 47.3(12) 6_565 6_565 ?
C48 C3 C49 38.2(12) 6_565 6_565 ?
C48 C3 C51 111.6(18) 6_565 6_565 ?
C48 C3 C70 150(2) 6_565 6_565 ?
C49 C3 C51 73.5(7) 6_565 6_565 ?
C70 C3 C49 147.2(13) 6_565 6_565 ?
C70 C3 C51 84.5(8) 6_565 6_565 ?
C71 C3 C2 83.1(17) 6_565 . ?
C71 C3 C4 160(3) 6_565 . ?
C71 C3 C15 41.1(14) 6_565 . ?
C71 C3 C47 152(2) 6_565 6_565 ?
C71 C3 C48 151(3) 6_565 6_565 ?
C71 C3 C49 113.4(19) 6_565 6_565 ?
C71 C3 C51 39.9(13) 6_565 6_565 ?
C71 C3 C70 48.5(14) 6_565 6_565 ?
C3 C4 C46 150.5(14) . 6_565 ?
C3 C4 C68 99.0(10) . 6_565 ?
C5 C4 C3 108.5(8) . . ?
C5 C4 C46 54.5(8) . 6_565 ?
C5 C4 C68 136.6(14) . 6_565 ?
C18 C4 C3 121.1(12) . . ?
C18 C4 C5 121.0(12) . . ?
C18 C4 C46 66.7(9) . 6_565 ?
C18 C4 C68 22.1(7) . 6_565 ?
C46 C4 C68 85.5(10) 6_565 6_565 ?
C47 C4 C3 140(4) 6_565 . ?
C47 C4 C5 100(3) 6_565 . ?
C47 C4 C18 22(3) 6_565 . ?
C47 C4 C46 45(3) 6_565 6_565 ?
C47 C4 C48 161(6) 6_565 6_565 ?
C47 C4 C68 43(3) 6_565 6_565 ?
C48 C4 C3 28.7(11) 6_565 . ?
C48 C4 C5 81.3(12) 6_565 . ?
C48 C4 C18 148.5(18) 6_565 . ?
C48 C4 C46 132.7(17) 6_565 6_565 ?
C48 C4 C68 126.6(16) 6_565 6_565 ?
C1 C5 C4 107.0(7) . . ?
C1 C5 C6 124.0(10) . . ?
C1 C5 C25 46.7(7) . 6_565 ?
C1 C5 C46 161.7(12) . 6_565 ?
C1 C5 C47 122.2(9) . 6_565 ?
C1 C5 C48 69.4(7) . 6_565 ?
C1 C5 C49 14.7(7) . 6_565 ?
C4 C5 C6 121.1(11) . . ?
C4 C5 C25 146.3(10) . 6_565 ?
C4 C5 C46 73.1(9) . 6_565 ?
C4 C5 C47 16.4(8) . 6_565 ?
C4 C5 C48 37.6(6) . 6_565 ?
C4 C5 C49 92.3(8) . 6_565 ?
C6 C5 C46 49.1(8) . 6_565 ?
C6 C5 C47 104.9(10) . 6_565 ?
C6 C5 C48 150.2(13) . 6_565 ?
C6 C5 C49 135.6(11) . 6_565 ?
C24 C5 C1 109.0(10) 6_565 . ?
C24 C5 C4 130.5(13) 6_565 . ?
C24 C5 C6 15.3(8) 6_565 . ?
C24 C5 C25 62.9(8) 6_565 6_565 ?
C24 C5 C46 62.2(7) 6_565 6_565 ?
C24 C5 C47 115.3(11) 6_565 6_565 ?
C24 C5 C48 148.2(14) 6_565 6_565 ?
C24 C5 C49 120.3(11) 6_565 6_565 ?
C25 C5 C6 77.5(9) 6_565 . ?
C25 C5 C46 124.3(11) 6_565 6_565 ?
C25 C5 C47 152.9(13) 6_565 6_565 ?
C25 C5 C48 112.5(10) 6_565 6_565 ?
C25 C5 C49 60.0(7) 6_565 6_565 ?
C46 C5 C47 56.7(7) 6_565 6_565 ?
C46 C5 C48 108.9(10) 6_565 6_565 ?
C46 C5 C49 155.5(13) 6_565 6_565 ?
C47 C5 C48 53.2(7) 6_565 6_565 ?
C49 C5 C47 107.5(10) 6_565 6_565 ?
C49 C5 C48 54.8(7) 6_565 6_565 ?
C5 C6 C7 116.7(10) . . ?
C5 C6 C23 146.0(12) . 6_565 ?
C5 C6 C25 50.8(7) . 6_565 ?
C7 C6 C23 34.2(5) . 6_565 ?
C7 C6 C25 66.4(7) . 6_565 ?
C20 C6 C5 117.9(11) . . ?
C20 C6 C7 118.1(10) . . ?
C20 C6 C23 84.0(9) . 6_565 ?
C20 C6 C25 158.2(16) . 6_565 ?
C23 C6 C25 99.2(8) 6_565 6_565 ?
C24 C6 C5 74(3) 6_565 . ?
C24 C6 C7 43(3) 6_565 . ?
C24 C6 C20 141(6) 6_565 . ?
C24 C6 C23 73(3) 6_565 6_565 ?
C24 C6 C25 28(3) 6_565 6_565 ?
C24 C6 C46 128(5) 6_565 6_565 ?
C46 C6 C5 66.1(10) 6_565 . ?
C46 C6 C7 158(2) 6_565 . ?
C46 C6 C20 52.1(9) 6_565 . ?
C46 C6 C23 132.0(15) 6_565 6_565 ?
C46 C6 C25 114.9(12) 6_565 6_565 ?
C6 C7 C8 148.8(9) . 6_565 ?
C6 C7 C25 65.4(7) . 6_565 ?
C7 C7 C6 156.7(7) 6_565 . ?
C7 C7 C8 50.3(4) 6_565 6_565 ?
C7 C7 C8 84.0(6) 6_565 . ?
C7 C7 C23 37.3(5) 6_565 . ?
C7 C7 C25 132.4(5) 6_565 6_565 ?
C8 C7 C6 116.3(9) . . ?
C8 C7 C8 33.7(7) . 6_565 ?
C8 C7 C23 120.7(9) . . ?
C8 C7 C25 51.1(7) . 6_565 ?
C23 C7 C6 120.1(9) . . ?
C23 C7 C6 80.2(13) 6_565 . ?
C23 C7 C7 77.6(11) 6_565 6_565 ?
C23 C7 C8 159.0(17) 6_565 . ?
C23 C7 C8 87.2(7) . 6_565 ?
C23 C7 C8 127.0(15) 6_565 6_565 ?
C23 C7 C23 40.3(11) 6_565 . ?
C23 C7 C24 90.0(13) 6_565 6_565 ?
C23 C7 C25 141.5(15) 6_565 6_565 ?
C23 C7 C25 158.8(13) . 6_565 ?
C24 C7 C6 12.4(10) 6_565 . ?
C24 C7 C7 160.8(11) 6_565 6_565 ?
C24 C7 C8 136.6(10) 6_565 6_565 ?
C24 C7 C8 104.9(10) 6_565 . ?
C24 C7 C23 128.7(11) 6_565 . ?
C24 C7 C25 53.9(7) 6_565 6_565 ?
C25 C7 C8 83.7(6) 6_565 6_565 ?
C7 C8 C7 45.7(8) . 6_565 ?
C8 C8 C7 50.3(4) 6_565 6_565 ?
C8 C8 C7 96.0(6) 6_565 . ?
C8 C8 C9 135.3(5) 6_565 . ?
C8 C8 C25 162.0(7) 6_565 6_565 ?
C8 C8 C26 29.5(5) 6_565 . ?
C9 C8 C7 158.4(11) . 6_565 ?
C9 C8 C7 122.7(9) . . ?
C25 C8 C7 76.9(8) 6_565 . ?
C25 C8 C7 120.6(9) 6_565 6_565 ?
C25 C8 C9 46.3(7) 6_565 . ?
C26 C8 C7 147(2) 6_565 6_565 ?
C26 C8 C7 78.0(8) . 6_565 ?
C26 C8 C7 122.8(11) . . ?
C26 C8 C7 150(2) 6_565 . ?
C26 C8 C8 103.3(15) 6_565 6_565 ?
C26 C8 C9 105.9(7) . . ?
C26 C8 C9 32.3(13) 6_565 . ?
C26 C8 C25 77.7(15) 6_565 6_565 ?
C26 C8 C25 146.2(11) . 6_565 ?
C26 C8 C26 73.8(15) 6_565 . ?
C1 C9 C8 118.8(9) . . ?
C1 C9 C10 121.1(10) . . ?
C1 C9 C27 140.0(11) . 6_565 ?
C1 C9 C28 97.1(8) . 6_565 ?
C1 C9 C49 10.3(8) . 6_565 ?
C1 C9 C50 55.2(7) . 6_565 ?
C8 C9 C27 88.7(7) . 6_565 ?
C8 C9 C28 128.4(9) . 6_565 ?
C8 C9 C49 125.9(10) . 6_565 ?
C8 C9 C50 148.7(10) . 6_565 ?
C10 C9 C8 110.3(7) . . ?
C10 C9 C27 21.9(6) . 6_565 ?
C10 C9 C28 24.1(7) . 6_565 ?
C10 C9 C49 110.9(10) . 6_565 ?
C10 C9 C50 65.9(8) . 6_565 ?
C25 C9 C1 52.6(9) 6_565 . ?
C25 C9 C8 66.5(10) 6_565 . ?
C25 C9 C10 153.5(14) 6_565 . ?
C25 C9 C27 145.0(14) 6_565 6_565 ?
C25 C9 C28 137.7(13) 6_565 6_565 ?
C25 C9 C49 60.9(8) 6_565 6_565 ?
C25 C9 C50 102.5(11) 6_565 6_565 ?
C26 C9 C1 140.6(15) 6_565 . ?
C26 C9 C8 23.9(8) 6_565 . ?
C26 C9 C10 86.9(10) 6_565 . ?
C26 C9 C25 89.6(13) 6_565 6_565 ?
C26 C9 C27 65.1(11) 6_565 6_565 ?
C26 C9 C28 107.2(13) 6_565 6_565 ?
C26 C9 C49 145.2(17) 6_565 6_565 ?
C26 C9 C50 141.2(16) 6_565 6_565 ?
C27 C9 C28 44.4(6) 6_565 6_565 ?
C27 C9 C49 129.7(11) 6_565 6_565 ?
C27 C9 C50 85.9(8) 6_565 6_565 ?
C49 C9 C28 86.8(8) 6_565 6_565 ?
C49 C9 C50 45.1(6) 6_565 6_565 ?
C50 C9 C28 41.8(5) 6_565 6_565 ?
C9 C10 C10 114.3(5) . 6_565 ?
C9 C10 C11 121.1(10) . . ?
C9 C10 C26 34.6(6) . 6_565 ?
C9 C10 C27 106.5(7) . . ?
C9 C10 C50 72.2(7) . 6_565 ?
C11 C10 C10 111.9(7) . 6_565 ?
C11 C10 C26 143.6(12) . 6_565 ?
C11 C10 C50 49.9(7) . 6_565 ?
C26 C10 C10 79.8(6) 6_565 6_565 ?
C26 C10 C50 102.9(9) 6_565 6_565 ?
C27 C10 C9 94.7(16) 6_565 . ?
C27 C10 C10 8.2(6) . 6_565 ?
C27 C10 C10 20.4(18) 6_565 6_565 ?
C27 C10 C11 119.5(12) . . ?
C27 C10 C11 131(3) 6_565 . ?
C27 C10 C26 60.2(15) 6_565 6_565 ?
C27 C10 C26 71.9(7) . 6_565 ?
C27 C10 C27 12.3(13) 6_565 . ?
C27 C10 C28 137(3) 6_565 6_565 ?
C27 C10 C50 152(3) 6_565 6_565 ?
C27 C10 C50 152.5(15) . 6_565 ?
C28 C10 C9 118.1(16) 6_565 . ?
C28 C10 C10 117.7(13) 6_565 6_565 ?
C28 C10 C11 6.3(15) 6_565 . ?
C28 C10 C26 144.2(19) 6_565 6_565 ?
C28 C10 C27 125.4(18) 6_565 . ?
C28 C10 C50 46.0(11) 6_565 6_565 ?
C50 C10 C10 150.1(6) 6_565 6_565 ?
C10 C11 C27 13.4(8) . 6_565 ?
C10 C11 C50 80.4(9) . 6_565 ?
C10 C11 C53 153.7(13) . 6_565 ?
C12 C11 C10 118.5(9) . . ?
C12 C11 C27 128.1(10) . 6_565 ?
C12 C11 C30 119.9(10) . . ?
C12 C11 C50 38.3(7) . 6_565 ?
C12 C11 C53 72.3(8) . 6_565 ?
C27 C11 C53 141.6(11) 6_565 6_565 ?
C28 C11 C10 10(3) 6_565 . ?
C28 C11 C12 112(2) 6_565 . ?
C28 C11 C27 24(2) 6_565 6_565 ?
C28 C11 C29 129(3) 6_565 6_565 ?
C28 C11 C30 125(3) 6_565 . ?
C28 C11 C50 74(2) 6_565 6_565 ?
C28 C11 C53 163(4) 6_565 6_565 ?
C29 C11 C10 120.4(15) 6_565 . ?
C29 C11 C12 116.6(14) 6_565 . ?
C29 C11 C27 107.5(14) 6_565 6_565 ?
C29 C11 C30 5.2(14) 6_565 . ?
C29 C11 C50 151.5(17) 6_565 6_565 ?
C29 C11 C53 44.3(9) 6_565 6_565 ?
C30 C11 C10 115.6(10) . . ?
C30 C11 C27 102.6(10) . 6_565 ?
C30 C11 C50 152.6(14) . 6_565 ?
C30 C11 C53 47.6(7) . 6_565 ?
C50 C11 C27 91.1(8) 6_565 6_565 ?
C50 C11 C53 108.5(10) 6_565 6_565 ?
C2 C12 C28 99.8(9) . 6_565 ?
C2 C12 C52 121.0(11) . 6_565 ?
C2 C12 C53 153.3(12) . 6_565 ?
C11 C12 C2 117.0(9) . . ?
C11 C12 C13 119.7(10) . . ?
C11 C12 C28 17.6(6) . 6_565 ?
C11 C12 C52 109.2(11) . 6_565 ?
C11 C12 C53 66.7(7) . 6_565 ?
C13 C12 C2 113.9(10) . . ?
C13 C12 C28 135.6(11) . 6_565 ?
C13 C12 C52 10.8(9) . 6_565 ?
C13 C12 C53 53.3(7) . 6_565 ?
C28 C12 C53 83.6(8) 6_565 6_565 ?
C50 C12 C2 44.3(11) 6_565 . ?
C50 C12 C11 73.6(12) 6_565 . ?
C50 C12 C13 152.6(18) 6_565 . ?
C50 C12 C28 56.0(10) 6_565 6_565 ?
C50 C12 C52 152.7(19) 6_565 6_565 ?
C50 C12 C53 135.8(15) 6_565 6_565 ?
C51 C12 C2 64.7(12) 6_565 . ?
C51 C12 C11 159(2) 6_565 . ?
C51 C12 C13 50.1(12) 6_565 . ?
C51 C12 C28 156(2) 6_565 6_565 ?
C51 C12 C50 108.4(19) 6_565 6_565 ?
C51 C12 C52 59.1(12) 6_565 6_565 ?
C51 C12 C53 102.1(15) 6_565 6_565 ?
C52 C12 C28 124.8(12) 6_565 6_565 ?
C52 C12 C53 43.3(6) 6_565 6_565 ?
C12 C13 C14 121.2(11) . . ?
C12 C13 C32 120.9(9) . . ?
C12 C13 C53 83.1(8) . 6_565 ?
C12 C13 C73 155.9(16) . 6_565 ?
C14 C13 C32 106.6(7) . . ?
C14 C13 C53 140.7(10) . 6_565 ?
C14 C13 C73 47.3(7) . 6_565 ?
C32 C13 C53 38.6(6) . 6_565 ?
C32 C13 C73 60.0(7) . 6_565 ?
C51 C13 C12 36.6(9) 6_565 . ?
C51 C13 C14 85.9(12) 6_565 . ?
C51 C13 C32 151.7(15) 6_565 . ?
C51 C13 C53 118.3(12) 6_565 6_565 ?
C51 C13 C73 130.9(15) 6_565 6_565 ?
C52 C13 C12 116(5) 6_565 . ?
C52 C13 C14 104(4) 6_565 . ?
C52 C13 C32 11(6) 6_565 . ?
C52 C13 C51 142(7) 6_565 6_565 ?
C52 C13 C53 38(3) 6_565 6_565 ?
C52 C13 C73 60(3) 6_565 6_565 ?
C73 C13 C53 97.5(8) 6_565 6_565 ?
C13 C14 C34 106.0(7) . . ?
C13 C14 C51 37.9(7) . 6_565 ?
C13 C14 C52 11.7(8) . 6_565 ?
C13 C14 C71 87.2(9) . 6_565 ?
C15 C14 C13 120.4(11) . . ?
C15 C14 C34 125.8(11) . . ?
C15 C14 C51 82.5(9) . 6_565 ?
C15 C14 C52 129.3(12) . 6_565 ?
C15 C14 C70 20.7(8) . 6_565 ?
C15 C14 C71 33.4(7) . 6_565 ?
C34 C14 C51 138.0(9) . 6_565 ?
C34 C14 C52 94.5(8) . 6_565 ?
C34 C14 C71 151.1(11) . 6_565 ?
C52 C14 C51 47.7(6) 6_565 6_565 ?
C52 C14 C71 96.7(10) 6_565 6_565 ?
C70 C14 C13 140.0(12) 6_565 . ?
C70 C14 C34 105.9(11) 6_565 . ?
C70 C14 C51 102.5(10) 6_565 6_565 ?
C70 C14 C52 147.0(14) 6_565 6_565 ?
C70 C14 C71 53.9(7) 6_565 6_565 ?
C71 C14 C51 49.2(6) 6_565 6_565 ?
C72 C14 C13 148.7(12) 6_565 . ?
C72 C14 C15 86.8(12) 6_565 . ?
C72 C14 C34 42.8(9) 6_565 . ?
C72 C14 C51 161.6(14) 6_565 6_565 ?
C72 C14 C52 137.1(14) 6_565 6_565 ?
C72 C14 C70 66.1(10) 6_565 6_565 ?
C72 C14 C71 119.6(13) 6_565 6_565 ?
C72 C14 C73 81.5(13) 6_565 6_565 ?
C73 C14 C13 68.1(8) 6_565 . ?
C73 C14 C15 161.6(15) 6_565 . ?
C73 C14 C34 39.4(7) 6_565 . ?
C73 C14 C51 104.6(11) 6_565 6_565 ?
C73 C14 C52 57.2(8) 6_565 6_565 ?
C73 C14 C70 144.7(15) 6_565 6_565 ?
C73 C14 C71 151.1(13) 6_565 6_565 ?
C3 C15 C14 118.5(12) . . ?
C3 C15 C16 119.8(12) . . ?
C3 C15 C48 7.9(8) . 6_565 ?
C3 C15 C69 103.8(11) . 6_565 ?
C3 C15 C72 151.3(16) . 6_565 ?
C14 C15 C48 121.3(12) . 6_565 ?
C14 C15 C69 126.1(13) . 6_565 ?
C14 C15 C72 38.4(7) . 6_565 ?
C16 C15 C14 112.7(11) . . ?
C16 C15 C48 113.0(11) . 6_565 ?
C16 C15 C69 16.1(8) . 6_565 ?
C16 C15 C72 74.9(9) . 6_565 ?
C69 C15 C48 97.1(9) 6_565 6_565 ?
C70 C15 C3 150(4) 6_565 . ?
C70 C15 C14 82(3) 6_565 . ?
C70 C15 C16 32(2) 6_565 . ?
C70 C15 C48 142(4) 6_565 6_565 ?
C70 C15 C69 48(2) 6_565 6_565 ?
C70 C15 C71 166(7) 6_565 6_565 ?
C70 C15 C72 44(2) 6_565 6_565 ?
C71 C15 C3 30.3(10) 6_565 . ?
C71 C15 C14 90.3(15) 6_565 . ?
C71 C15 C16 149.2(19) 6_565 . ?
C71 C15 C48 36.5(10) 6_565 6_565 ?
C71 C15 C69 133.4(17) 6_565 6_565 ?
C71 C15 C72 127.8(17) 6_565 6_565 ?
C72 C15 C48 149.4(15) 6_565 6_565 ?
C72 C15 C69 89.5(9) 6_565 6_565 ?
C15 C16 C17 119.4(12) . . ?
C15 C16 C36 122.7(12) . . ?
C15 C16 C68 97.4(10) . 6_565 ?
C15 C16 C72 60.7(8) . 6_565 ?
C15 C16 C83 155.9(17) . 6_565 ?
C17 C16 C36 109.2(8) . . ?
C17 C16 C68 22.0(7) . 6_565 ?
C17 C16 C72 157.1(12) . 6_565 ?
C17 C16 C83 69.0(8) . 6_565 ?
C36 C16 C68 126.7(10) . 6_565 ?
C36 C16 C72 62.7(8) . 6_565 ?
C36 C16 C83 40.7(7) . 6_565 ?
C68 C16 C72 146.2(12) 6_565 6_565 ?
C69 C16 C15 120(3) 6_565 . ?
C69 C16 C17 1(4) 6_565 . ?
C69 C16 C36 109(3) 6_565 . ?
C69 C16 C68 23(2) 6_565 6_565 ?
C69 C16 C70 135(3) 6_565 6_565 ?
C69 C16 C72 158(4) 6_565 6_565 ?
C69 C16 C83 69(2) 6_565 6_565 ?
C70 C16 C15 15.9(11) 6_565 . ?
C70 C16 C17 134.7(17) 6_565 . ?
C70 C16 C36 107.7(16) 6_565 . ?
C70 C16 C68 112.7(15) 6_565 6_565 ?
C70 C16 C72 45.2(11) 6_565 6_565 ?
C70 C16 C83 145(2) 6_565 6_565 ?
C83 C16 C68 88.8(9) 6_565 6_565 ?
C83 C16 C72 102.3(10) 6_565 6_565 ?
C16 C17 C18 121.0(11) . . ?
C16 C17 C67 155.4(13) . 6_565 ?
C16 C17 C83 59.3(7) . 6_565 ?
C18 C17 C67 53.3(8) . 6_565 ?
C18 C17 C83 156.2(14) . 6_565 ?
C38 C17 C16 106.9(7) . . ?
C38 C17 C18 122.7(12) . . ?
C38 C17 C67 69.9(10) . 6_565 ?
C38 C17 C83 47.8(7) . 6_565 ?
C67 C17 C83 115.0(11) 6_565 6_565 ?
C68 C17 C16 114.0(19) 6_565 . ?
C68 C17 C18 7.0(14) 6_565 . ?
C68 C17 C38 128(2) 6_565 . ?
C68 C17 C67 59.5(15) 6_565 6_565 ?
C68 C17 C69 114(2) 6_565 6_565 ?
C68 C17 C83 154(3) 6_565 6_565 ?
C69 C17 C16 1(2) 6_565 . ?
C69 C17 C18 121.4(17) 6_565 . ?
C69 C17 C38 107.0(15) 6_565 . ?
C69 C17 C67 156(3) 6_565 6_565 ?
C69 C17 C83 59.3(13) 6_565 6_565 ?
C4 C18 C17 116.3(11) . . ?
C4 C18 C19 118.6(12) . . ?
C4 C18 C45 110.6(11) . 6_565 ?
C4 C18 C46 65.0(9) . 6_565 ?
C4 C18 C67 153.7(17) . 6_565 ?
C17 C18 C45 118.4(11) . 6_565 ?
C17 C18 C46 149.9(15) . 6_565 ?
C19 C18 C17 114.7(11) . . ?
C19 C18 C45 8.8(9) . 6_565 ?
C19 C18 C46 53.7(9) . 6_565 ?
C19 C18 C67 44.1(9) . 6_565 ?
C46 C18 C45 46.3(6) 6_565 6_565 ?
C47 C18 C4 9.4(11) 6_565 . ?
C47 C18 C17 124.6(15) 6_565 . ?
C47 C18 C19 109.3(16) 6_565 . ?
C47 C18 C45 101.5(15) 6_565 6_565 ?
C47 C18 C46 55.7(10) 6_565 6_565 ?
C47 C18 C67 147(2) 6_565 6_565 ?
C67 C18 C17 71.3(10) 6_565 . ?
C67 C18 C45 49.9(7) 6_565 6_565 ?
C67 C18 C46 95.6(11) 6_565 6_565 ?
C68 C18 C4 108(2) 6_565 . ?
C68 C18 C17 8.0(16) 6_565 . ?
C68 C18 C19 121(2) 6_565 . ?
C68 C18 C45 124(2) 6_565 6_565 ?
C68 C18 C46 148(3) 6_565 6_565 ?
C68 C18 C47 117(2) 6_565 6_565 ?
C68 C18 C67 78.3(18) 6_565 6_565 ?
C18 C19 C20 121.1(11) . . ?
C18 C19 C40 123.7(11) . . ?
C18 C19 C44 153.8(13) . 6_565 ?
C18 C19 C46 74.1(10) . 6_565 ?
C18 C19 C47 28.5(8) . 6_565 ?
C18 C19 C68 18.5(8) . 6_565 ?
C20 C19 C40 106.6(7) . . ?
C20 C19 C44 48.2(6) . 6_565 ?
C20 C19 C46 47.7(8) . 6_565 ?
C20 C19 C47 92.8(8) . 6_565 ?
C20 C19 C68 132.5(11) . 6_565 ?
C40 C19 C44 58.4(6) . 6_565 ?
C40 C19 C47 146.2(11) . 6_565 ?
C40 C19 C68 105.4(10) . 6_565 ?
C44 C19 C47 134.2(9) 6_565 6_565 ?
C45 C19 C18 147(3) 6_565 . ?
C45 C19 C20 30.2(19) 6_565 . ?
C45 C19 C40 77(2) 6_565 . ?
C45 C19 C44 18(2) 6_565 6_565 ?
C45 C19 C46 77(2) 6_565 6_565 ?
C45 C19 C47 121(3) 6_565 6_565 ?
C45 C19 C67 128(3) 6_565 6_565 ?
C45 C19 C68 149(4) 6_565 6_565 ?
C46 C19 C40 149.3(11) 6_565 . ?
C46 C19 C44 94.3(9) 6_565 6_565 ?
C46 C19 C47 45.7(6) 6_565 6_565 ?
C46 C19 C68 88.9(10) 6_565 6_565 ?
C67 C19 C18 68.4(12) 6_565 . ?
C67 C19 C20 151.6(16) 6_565 . ?
C67 C19 C40 55.6(11) 6_565 . ?
C67 C19 C44 110.4(13) 6_565 6_565 ?
C67 C19 C46 137.2(17) 6_565 6_565 ?
C67 C19 C47 94.8(12) 6_565 6_565 ?
C67 C19 C68 50.9(9) 6_565 6_565 ?
C68 C19 C44 144.7(12) 6_565 6_565 ?
C68 C19 C47 44.1(5) 6_565 6_565 ?
C6 C20 C19 119.9(10) . . ?
C6 C20 C21 124.5(10) . . ?
C6 C20 C22 96.1(8) . 6_565 ?
C6 C20 C23 51.4(7) . 6_565 ?
C6 C20 C24 7.9(13) . 6_565 ?
C6 C20 C44 143.5(12) . 6_565 ?
C19 C20 C21 109.1(7) . . ?
C19 C20 C22 132.0(8) . 6_565 ?
C19 C20 C23 152.1(10) . 6_565 ?
C19 C20 C24 120.2(10) . 6_565 ?
C19 C20 C44 84.8(8) . 6_565 ?
C21 C20 C22 28.4(6) . 6_565 ?
C21 C20 C23 73.1(7) . 6_565 ?
C21 C20 C24 119.6(9) . 6_565 ?
C21 C20 C44 24.3(7) . 6_565 ?
C22 C20 C23 44.7(4) 6_565 6_565 ?
C24 C20 C22 91.2(7) 6_565 6_565 ?
C24 C20 C23 47.0(5) 6_565 6_565 ?
C44 C20 C22 50.1(7) 6_565 6_565 ?
C44 C20 C23 93.8(9) 6_565 6_565 ?
C44 C20 C24 136.6(12) 6_565 6_565 ?
C45 C20 C6 133.8(15) 6_565 . ?
C45 C20 C19 15.4(10) 6_565 . ?
C45 C20 C21 93.8(11) 6_565 . ?
C45 C20 C22 117.8(13) 6_565 6_565 ?
C45 C20 C23 149.4(17) 6_565 6_565 ?
C45 C20 C24 132.8(15) 6_565 6_565 ?
C45 C20 C44 69.6(10) 6_565 6_565 ?
C45 C20 C46 81.7(13) 6_565 6_565 ?
C46 C20 C6 54.1(9) 6_565 . ?
C46 C20 C19 66.6(10) 6_565 . ?
C46 C20 C21 163.6(14) 6_565 . ?
C46 C20 C22 144.2(11) 6_565 6_565 ?
C46 C20 C23 103.1(9) 6_565 6_565 ?
C46 C20 C24 56.7(7) 6_565 6_565 ?
C46 C20 C44 146.2(15) 6_565 6_565 ?
C20 C21 C22 117.9(10) . . ?
C20 C21 C41 107.8(7) . . ?
C20 C21 C43 117.5(9) . 6_565 ?
C20 C21 C45 33.7(6) . 6_565 ?
C22 C21 C20 103.2(13) 6_565 . ?
C22 C21 C22 15.0(8) 6_565 . ?
C22 C21 C41 136.4(16) 6_565 . ?
C22 C21 C43 109.2(9) . 6_565 ?
C22 C21 C43 121.9(14) 6_565 6_565 ?
C22 C21 C45 130.9(15) 6_565 6_565 ?
C22 C21 C45 142.7(12) . 6_565 ?
C41 C21 C22 123.5(10) . . ?
C41 C21 C43 14.5(8) . 6_565 ?
C41 C21 C45 74.1(7) . 6_565 ?
C44 C21 C20 79(2) 6_565 . ?
C44 C21 C22 145(4) 6_565 6_565 ?
C44 C21 C22 140(3) 6_565 . ?
C44 C21 C41 28.7(18) 6_565 . ?
C44 C21 C43 38.8(18) 6_565 6_565 ?
C44 C21 C45 45.8(18) 6_565 6_565 ?
C45 C21 C43 84.4(8) 6_565 6_565 ?
C20 C22 C44 154.7(8) 6_565 6_565 ?
C21 C22 C20 165.7(10) . 6_565 ?
C21 C22 C20 48.4(11) 6_565 6_565 ?
C21 C22 C21 120.5(16) 6_565 . ?
C21 C22 C23 83.8(8) . 6_565 ?
C21 C22 C23 118.6(9) . . ?
C21 C22 C23 155.1(15) 6_565 6_565 ?
C21 C22 C23 120.5(14) 6_565 . ?
C21 C22 C44 13.8(15) 6_565 . ?
C21 C22 C44 114.3(12) 6_565 6_565 ?
C21 C22 C44 11.5(9) . 6_565 ?
C22 C22 C20 166.6(5) 6_565 6_565 ?
C22 C22 C21 142.8(11) 6_565 6_565 ?
C22 C22 C21 22.3(6) 6_565 . ?
C22 C22 C23 96.5(5) 6_565 . ?
C22 C22 C23 61.7(5) 6_565 6_565 ?
C22 C22 C44 29.7(5) 6_565 6_565 ?
C22 C22 C44 138.1(6) 6_565 . ?
C23 C22 C20 106.8(7) 6_565 6_565 ?
C23 C22 C20 72.2(6) . 6_565 ?
C23 C22 C23 34.8(7) . 6_565 ?
C23 C22 C44 122.5(8) . 6_565 ?
C23 C22 C44 88.7(7) 6_565 6_565 ?
C44 C22 C20 49.9(6) . 6_565 ?
C44 C22 C21 116.8(9) . . ?
C44 C22 C23 120.6(9) . . ?
C44 C22 C23 151.4(10) . 6_565 ?
C44 C22 C44 108.4(10) . 6_565 ?
C6 C23 C20 44.5(5) 6_565 6_565 ?
C6 C23 C22 129.2(8) 6_565 6_565 ?
C7 C23 C6 65.6(11) 6_565 6_565 ?
C7 C23 C6 130.3(9) . 6_565 ?
C7 C23 C7 65.1(13) 6_565 . ?
C7 C23 C20 168.6(12) . 6_565 ?
C7 C23 C20 110.0(13) 6_565 6_565 ?
C7 C23 C22 120.5(8) . . ?
C7 C23 C22 171.0(17) 6_565 . ?
C7 C23 C22 98.7(8) . 6_565 ?
C7 C23 C22 162.9(16) 6_565 6_565 ?
C7 C23 C23 102.4(11) 6_565 6_565 ?
C7 C23 C24 53.4(11) 6_565 . ?
C7 C23 C24 117.0(8) . . ?
C22 C23 C6 107.6(8) . 6_565 ?
C22 C23 C20 63.1(6) . 6_565 ?
C22 C23 C20 84.8(6) 6_565 6_565 ?
C22 C23 C22 21.9(8) . 6_565 ?
C22 C23 C24 119.1(8) . . ?
C23 C23 C6 166.2(6) 6_565 6_565 ?
C23 C23 C7 37.3(5) 6_565 . ?
C23 C23 C20 145.8(4) 6_565 6_565 ?
C23 C23 C22 61.7(5) 6_565 6_565 ?
C23 C23 C22 83.5(5) 6_565 . ?
C23 C23 C24 152.4(6) 6_565 . ?
C24 C23 C6 13.9(7) . 6_565 ?
C24 C23 C20 56.7(6) . 6_565 ?
C24 C23 C22 139.7(10) . 6_565 ?
C5 C24 C20 103.0(9) 6_565 6_565 ?
C5 C24 C23 171(2) 6_565 . ?
C5 C24 C25 59.7(8) 6_565 . ?
C5 C24 C46 61.2(8) 6_565 . ?
C6 C24 C5 90(3) 6_565 6_565 ?
C6 C24 C7 124(4) 6_565 6_565 ?
C6 C24 C20 31(5) 6_565 6_565 ?
C6 C24 C23 93(3) 6_565 . ?
C6 C24 C25 145(4) 6_565 . ?
C6 C24 C46 40(4) 6_565 . ?
C7 C24 C5 143.5(12) 6_565 6_565 ?
C7 C24 C20 112.8(9) 6_565 6_565 ?
C7 C24 C23 36.6(6) 6_565 . ?
C7 C24 C25 83.9(9) 6_565 . ?
C7 C24 C46 154.0(12) 6_565 . ?
C23 C24 C20 76.3(7) . 6_565 ?
C25 C24 C20 160.6(12) . 6_565 ?
C25 C24 C23 119.2(9) . . ?
C25 C24 C46 120.1(10) . . ?
C46 C24 C20 41.8(7) . 6_565 ?
C46 C24 C23 117.5(10) . . ?
C1 C25 C5 66.3(9) 6_565 6_565 ?
C1 C25 C6 117.9(12) 6_565 6_565 ?
C1 C25 C7 162.5(13) 6_565 6_565 ?
C1 C25 C8 141.0(12) 6_565 6_565 ?
C1 C25 C9 74.1(10) 6_565 6_565 ?
C1 C25 C24 122.9(12) 6_565 . ?
C1 C25 C26 112.8(11) 6_565 . ?
C1 C25 C49 7.7(14) 6_565 . ?
C5 C25 C6 51.8(6) 6_565 6_565 ?
C5 C25 C7 99.7(8) 6_565 6_565 ?
C5 C25 C8 151.7(11) 6_565 6_565 ?
C5 C25 C24 57.4(7) 6_565 . ?
C5 C25 C26 171.1(13) 6_565 . ?
C5 C25 C49 63.6(8) 6_565 . ?
C6 C25 C7 48.2(5) 6_565 6_565 ?
C8 C25 C6 100.1(9) 6_565 6_565 ?
C8 C25 C7 52.0(6) 6_565 6_565 ?
C8 C25 C24 94.3(9) 6_565 . ?
C8 C25 C26 28.2(6) 6_565 . ?
C8 C25 C49 142.0(11) 6_565 . ?
C9 C25 C5 140.4(13) 6_565 6_565 ?
C9 C25 C6 166.8(12) 6_565 6_565 ?
C9 C25 C7 118.9(11) 6_565 6_565 ?
C9 C25 C8 67.3(9) 6_565 6_565 ?
C9 C25 C24 159.9(13) 6_565 . ?
C9 C25 C26 39.5(8) 6_565 . ?
C9 C25 C49 77.0(10) 6_565 . ?
C24 C25 C6 7.0(9) . 6_565 ?
C24 C25 C7 42.2(7) . 6_565 ?
C24 C25 C49 118.5(10) . . ?
C26 C25 C6 127.5(10) . 6_565 ?
C26 C25 C7 79.3(8) . 6_565 ?
C26 C25 C24 121.1(9) . . ?
C26 C25 C49 114.3(10) . . ?
C49 C25 C6 114.2(10) . 6_565 ?
C49 C25 C7 155.5(11) . 6_565 ?
C8 C26 C8 47.2(16) 6_565 . ?
C8 C26 C9 123.8(19) 6_565 6_565 ?
C8 C26 C10 129.2(10) . 6_565 ?
C8 C26 C10 170(3) 6_565 6_565 ?
C8 C26 C25 74.1(14) 6_565 . ?
C8 C26 C25 118.9(11) . . ?
C8 C26 C26 76.7(15) 6_565 6_565 ?
C8 C26 C27 155.2(19) 6_565 . ?
C8 C26 C27 109.0(7) . . ?
C8 C26 C27 127.7(18) 6_565 6_565 ?
C8 C26 C27 80.8(7) . 6_565 ?
C9 C26 C8 169.4(17) 6_565 . ?
C9 C26 C10 58.4(9) 6_565 6_565 ?
C9 C26 C25 50.9(10) 6_565 . ?
C9 C26 C26 158.5(10) 6_565 6_565 ?
C9 C26 C27 107.2(11) 6_565 6_565 ?
C9 C26 C27 78.9(13) 6_565 . ?
C10 C26 C27 48.7(5) 6_565 6_565 ?
C25 C26 C10 105.2(9) . 6_565 ?
C25 C26 C27 148.2(11) . 6_565 ?
C26 C26 C8 29.5(5) 6_565 . ?
C26 C26 C10 100.2(6) 6_565 6_565 ?
C26 C26 C25 145.5(7) 6_565 . ?
C26 C26 C27 79.8(6) 6_565 . ?
C26 C26 C27 51.5(5) 6_565 6_565 ?
C27 C26 C10 20.5(8) . 6_565 ?
C27 C26 C25 124.7(11) . . ?
C27 C26 C27 28.3(7) . 6_565 ?
C9 C27 C11 91.9(8) 6_565 6_565 ?
C9 C27 C26 84.6(6) 6_565 6_565 ?
C10 C27 C9 63.4(17) 6_565 6_565 ?
C10 C27 C9 143.6(10) . 6_565 ?
C10 C27 C10 151(2) 6_565 . ?
C10 C27 C11 117.3(11) . 6_565 ?
C10 C27 C11 35.9(19) 6_565 6_565 ?
C10 C27 C26 99(2) 6_565 . ?
C10 C27 C26 59.3(6) . 6_565 ?
C10 C27 C26 147(2) 6_565 6_565 ?
C10 C27 C26 107.9(7) . . ?
C10 C27 C27 159.6(19) 6_565 6_565 ?
C10 C27 C28 26.8(19) 6_565 . ?
C26 C27 C9 35.9(7) . 6_565 ?
C26 C27 C11 151.5(12) 6_565 6_565 ?
C26 C27 C11 123.6(10) . 6_565 ?
C26 C27 C26 48.6(7) . 6_565 ?
C27 C27 C9 136.1(5) 6_565 6_565 ?
C27 C27 C10 8.2(7) 6_565 . ?
C27 C27 C11 125.1(6) 6_565 6_565 ?
C27 C27 C26 100.2(6) 6_565 . ?
C27 C27 C26 51.5(5) 6_565 6_565 ?
C27 C27 C28 133.8(7) 6_565 . ?
C28 C27 C9 85.1(9) . 6_565 ?
C28 C27 C10 125.9(12) . . ?
C28 C27 C11 9.2(9) . 6_565 ?
C28 C27 C26 155.5(13) . 6_565 ?
C28 C27 C26 118.7(11) . . ?
C10 C28 C9 37.8(10) 6_565 6_565 ?
C10 C28 C12 138.8(17) 6_565 6_565 ?
C10 C28 C27 16.4(13) 6_565 . ?
C10 C28 C29 131.8(18) 6_565 . ?
C10 C28 C30 124.3(17) 6_565 6_565 ?
C10 C28 C50 106.0(15) 6_565 . ?
C11 C28 C9 148(3) 6_565 6_565 ?
C11 C28 C10 163(4) 6_565 6_565 ?
C11 C28 C12 50.3(19) 6_565 6_565 ?
C11 C28 C27 147(3) 6_565 . ?
C11 C28 C29 33(2) 6_565 . ?
C11 C28 C30 41(2) 6_565 6_565 ?
C11 C28 C50 84(2) 6_565 . ?
C12 C28 C9 101.1(9) 6_565 6_565 ?
C12 C28 C30 89.1(8) 6_565 6_565 ?
C27 C28 C9 50.5(7) . 6_565 ?
C27 C28 C12 147.4(14) . 6_565 ?
C27 C28 C29 115.6(11) . . ?
C27 C28 C30 108.1(11) . 6_565 ?
C27 C28 C50 118.1(12) . . ?
C29 C28 C9 153.7(15) . 6_565 ?
C29 C28 C12 82.7(9) . 6_565 ?
C29 C28 C30 7.5(9) . 6_565 ?
C30 C28 C9 148.4(12) 6_565 6_565 ?
C50 C28 C9 68.3(8) . 6_565 ?
C50 C28 C12 33.7(7) . 6_565 ?
C50 C28 C29 115.5(11) . . ?
C50 C28 C30 121.3(11) . 6_565 ?
C11 C29 C28 17.3(10) 6_565 . ?
C11 C29 C29 127.3(12) 6_565 6_565 ?
C11 C29 C30 137.0(17) 6_565 . ?
C11 C29 C31 135.5(16) 6_565 6_565 ?
C11 C29 C53 105.8(14) 6_565 . ?
C28 C29 C29 110.5(8) . 6_565 ?
C28 C29 C30 120.3(12) . . ?
C28 C29 C31 148.3(13) . 6_565 ?
C30 C29 C11 162(5) 6_565 6_565 ?
C30 C29 C28 146(4) 6_565 . ?
C30 C29 C29 9.8(7) . 6_565 ?
C30 C29 C29 36(3) 6_565 6_565 ?
C30 C29 C30 26(3) 6_565 . ?
C30 C29 C31 76.9(7) . 6_565 ?
C30 C29 C31 54(2) 6_565 6_565 ?
C30 C29 C53 86(3) 6_565 . ?
C31 C29 C29 85.8(7) 6_565 6_565 ?
C53 C29 C28 121.8(11) . . ?
C53 C29 C29 117.2(6) . 6_565 ?
C53 C29 C30 108.7(8) . . ?
C53 C29 C31 32.1(6) . 6_565 ?
C11 C30 C28 14.6(7) . 6_565 ?
C11 C30 C29 122.6(12) . . ?
C11 C30 C31 154.8(11) . 6_565 ?
C11 C30 C53 86.1(9) . 6_565 ?
C28 C30 C31 150.8(10) 6_565 6_565 ?
C29 C30 C11 13(3) 6_565 . ?
C29 C30 C28 26(3) 6_565 6_565 ?
C29 C30 C28 108.3(11) . 6_565 ?
C29 C30 C29 135(4) 6_565 . ?
C29 C30 C30 144(3) 6_565 6_565 ?
C29 C30 C31 56.0(6) . 6_565 ?
C29 C30 C31 159(3) 6_565 6_565 ?
C29 C30 C31 113(3) 6_565 . ?
C29 C30 C53 78(3) 6_565 6_565 ?
C29 C30 C53 140.5(11) . 6_565 ?
C30 C30 C11 132.3(7) 6_565 . ?
C30 C30 C28 118.0(7) 6_565 6_565 ?
C30 C30 C29 9.8(7) 6_565 . ?
C30 C30 C31 98.9(5) 6_565 . ?
C30 C30 C31 47.2(4) 6_565 6_565 ?
C30 C30 C53 133.0(6) 6_565 6_565 ?
C31 C30 C11 119.9(10) . . ?
C31 C30 C28 132.3(10) . 6_565 ?
C31 C30 C29 107.5(7) . . ?
C31 C30 C31 51.7(7) . 6_565 ?
C31 C30 C53 35.1(7) . 6_565 ?
C53 C30 C28 99.9(9) 6_565 6_565 ?
C53 C30 C31 86.2(6) 6_565 6_565 ?
C29 C31 C30 47.1(5) 6_565 6_565 ?
C30 C31 C29 13.7(8) . 6_565 ?
C30 C31 C30 33.9(7) . 6_565 ?
C30 C31 C31 81.1(5) . 6_565 ?
C31 C31 C29 94.2(7) 6_565 6_565 ?
C31 C31 C30 47.2(4) 6_565 6_565 ?
C32 C31 C29 109.5(9) . 6_565 ?
C32 C31 C30 151.7(9) . 6_565 ?
C32 C31 C30 123.2(9) . . ?
C32 C31 C31 147.2(6) . 6_565 ?
C32 C31 C54 120.5(9) . . ?
C53 C31 C29 60.7(9) 6_565 6_565 ?
C53 C31 C30 107.6(11) 6_565 6_565 ?
C53 C31 C30 74.4(13) 6_565 . ?
C53 C31 C31 153.0(12) 6_565 6_565 ?
C53 C31 C32 50.2(10) 6_565 . ?
C53 C31 C54 164(2) 6_565 . ?
C54 C31 C29 122.0(10) . 6_565 ?
C54 C31 C29 157(2) 6_565 6_565 ?
C54 C31 C30 75.7(7) . 6_565 ?
C54 C31 C30 147.1(16) 6_565 . ?
C54 C31 C30 114.1(16) 6_565 6_565 ?
C54 C31 C30 109.4(7) . . ?
C54 C31 C31 28.8(5) . 6_565 ?
C54 C31 C31 67.5(12) 6_565 6_565 ?
C54 C31 C32 83.2(13) 6_565 . ?
C54 C31 C53 133.1(18) 6_565 6_565 ?
C54 C31 C54 38.8(13) 6_565 . ?
C13 C32 C55 146.0(8) . 6_565 ?
C13 C32 C73 60.1(7) . 6_565 ?
C13 C32 C74 108.3(7) . 6_565 ?
C31 C32 C13 116.2(8) . . ?
C31 C32 C33 124.2(9) . . ?
C31 C32 C54 29.8(6) . 6_565 ?
C31 C32 C55 76.4(7) . 6_565 ?
C31 C32 C73 157.7(12) . 6_565 ?
C31 C32 C74 120.5(9) . 6_565 ?
C33 C32 C13 109.2(7) . . ?
C33 C32 C54 95.6(8) . 6_565 ?
C33 C32 C55 48.1(7) . 6_565 ?
C33 C32 C73 49.7(7) . 6_565 ?
C33 C32 C74 7.0(10) . 6_565 ?
C52 C32 C13 3.0(19) 6_565 . ?
C52 C32 C31 115.1(12) 6_565 . ?
C52 C32 C33 108.5(11) 6_565 . ?
C52 C32 C54 141.1(14) 6_565 6_565 ?
C52 C32 C55 143.4(16) 6_565 6_565 ?
C52 C32 C73 59.9(9) 6_565 6_565 ?
C52 C32 C74 107.2(12) 6_565 6_565 ?
C53 C32 C13 78.0(10) 6_565 . ?
C53 C32 C31 39.4(9) 6_565 . ?
C53 C32 C33 156.4(14) 6_565 . ?
C53 C32 C52 77.5(11) 6_565 6_565 ?
C53 C32 C54 69.1(9) 6_565 6_565 ?
C53 C32 C55 113.9(11) 6_565 6_565 ?
C53 C32 C73 135.8(13) 6_565 6_565 ?
C53 C32 C74 149.8(13) 6_565 6_565 ?
C54 C32 C13 142.9(9) 6_565 . ?
C54 C32 C55 47.5(5) 6_565 6_565 ?
C54 C32 C73 141.6(10) 6_565 6_565 ?
C54 C32 C74 93.0(8) 6_565 6_565 ?
C73 C32 C55 95.7(8) 6_565 6_565 ?
C73 C32 C74 50.5(7) 6_565 6_565 ?
C74 C32 C55 45.6(5) 6_565 6_565 ?
C32 C33 C34 109.3(7) . . ?
C32 C33 C55 86.0(8) . 6_565 ?
C32 C33 C56 116.3(9) . . ?
C32 C33 C75 153.0(12) . 6_565 ?
C34 C33 C55 146.3(12) . 6_565 ?
C34 C33 C56 117.6(10) . . ?
C34 C33 C75 55.0(7) . 6_565 ?
C55 C33 C75 98.1(8) 6_565 6_565 ?
C56 C33 C55 32.9(5) . 6_565 ?
C56 C33 C75 65.3(7) . 6_565 ?
C73 C33 C32 69.1(8) 6_565 . ?
C73 C33 C34 41.5(8) 6_565 . ?
C73 C33 C55 148.1(14) 6_565 6_565 ?
C73 C33 C56 149.0(15) 6_565 . ?
C73 C33 C75 95.9(10) 6_565 6_565 ?
C74 C33 C32 152(4) 6_565 . ?
C74 C33 C34 70(2) 6_565 . ?
C74 C33 C55 83(2) 6_565 6_565 ?
C74 C33 C56 50(2) 6_565 . ?
C74 C33 C73 110(3) 6_565 6_565 ?
C74 C33 C75 15.3(18) 6_565 6_565 ?
C14 C34 C75 157.0(12) . 6_565 ?
C33 C34 C14 108.7(7) . . ?
C33 C34 C75 76.8(8) . 6_565 ?
C35 C34 C14 122.6(10) . . ?
C35 C34 C33 126.3(10) . . ?
C35 C34 C75 49.8(8) . 6_565 ?
C35 C34 C85 15.6(11) . 6_565 ?
C72 C34 C14 44.9(10) 6_565 . ?
C72 C34 C33 153.7(12) 6_565 . ?
C72 C34 C35 79.0(11) 6_565 . ?
C72 C34 C74 166.9(17) 6_565 6_565 ?
C72 C34 C75 126.6(12) 6_565 6_565 ?
C72 C34 C85 68.7(9) 6_565 6_565 ?
C73 C34 C14 52.2(10) 6_565 . ?
C73 C34 C33 58.1(10) 6_565 . ?
C73 C34 C35 174.5(16) 6_565 . ?
C73 C34 C72 96.3(14) 6_565 6_565 ?
C73 C34 C74 77.2(10) 6_565 6_565 ?
C73 C34 C75 133.9(13) 6_565 6_565 ?
C73 C34 C85 159.0(17) 6_565 6_565 ?
C74 C34 C14 125.7(10) 6_565 . ?
C74 C34 C33 19.7(8) 6_565 . ?
C74 C34 C35 106.8(11) 6_565 . ?
C74 C34 C75 57.2(7) 6_565 6_565 ?
C74 C34 C85 114.2(12) 6_565 6_565 ?
C85 C34 C14 109.6(11) 6_565 . ?
C85 C34 C33 133.8(12) 6_565 . ?
C85 C34 C75 58.0(7) 6_565 6_565 ?
C34 C35 C36 107.5(11) . . ?
C34 C35 C58 111.9(11) . . ?
C34 C35 C72 39.6(7) . 6_565 ?
C36 C35 C72 70.1(9) . 6_565 ?
C58 C35 C36 112.9(11) . . ?
C58 C35 C72 140.1(14) . 6_565 ?
C75 C35 C34 71.5(11) 6_565 . ?
C75 C35 C36 146.1(15) 6_565 . ?
C75 C35 C58 44.8(8) 6_565 . ?
C75 C35 C72 109.7(14) 6_565 6_565 ?
C75 C35 C84 126.5(15) 6_565 6_565 ?
C84 C35 C34 143.0(14) 6_565 . ?
C84 C35 C36 38.0(9) 6_565 . ?
C84 C35 C58 82.2(11) 6_565 . ?
C84 C35 C72 108.0(12) 6_565 6_565 ?
C85 C35 C34 83(4) 6_565 . ?
C85 C35 C36 36(3) 6_565 . ?
C85 C35 C58 99(4) 6_565 . ?
C85 C35 C72 59(3) 6_565 6_565 ?
C85 C35 C75 113(4) 6_565 6_565 ?
C85 C35 C84 60(3) 6_565 6_565 ?
C16 C36 C35 127.7(11) . . ?
C16 C36 C69 17.8(7) . 6_565 ?
C16 C36 C70 28.4(7) . 6_565 ?
C16 C36 C72 71.6(9) . 6_565 ?
C35 C36 C69 142.2(12) . 6_565 ?
C35 C36 C70 99.4(9) . 6_565 ?
C35 C36 C72 56.6(7) . 6_565 ?
C37 C36 C16 106.8(7) . . ?
C37 C36 C35 119.9(10) . . ?
C37 C36 C69 89.0(8) . 6_565 ?
C37 C36 C70 132.6(9) . 6_565 ?
C37 C36 C72 162.3(12) . 6_565 ?
C69 C36 C70 45.1(6) 6_565 6_565 ?
C69 C36 C72 88.2(9) 6_565 6_565 ?
C72 C36 C70 43.3(5) 6_565 6_565 ?
C83 C36 C16 76.4(10) 6_565 . ?
C83 C36 C35 148.6(15) 6_565 . ?
C83 C36 C37 30.7(10) 6_565 . ?
C83 C36 C69 58.8(9) 6_565 6_565 ?
C83 C36 C70 103.6(12) 6_565 6_565 ?
C83 C36 C72 145.1(15) 6_565 6_565 ?
C83 C36 C85 145.2(19) 6_565 6_565 ?
C84 C36 C16 163.4(14) 6_565 . ?
C84 C36 C35 64.2(12) 6_565 . ?
C84 C36 C37 57.8(12) 6_565 . ?
C84 C36 C69 146.0(15) 6_565 6_565 ?
C84 C36 C70 160.5(17) 6_565 6_565 ?
C84 C36 C72 120.7(13) 6_565 6_565 ?
C84 C36 C83 88.5(16) 6_565 6_565 ?
C84 C36 C85 68.7(14) 6_565 6_565 ?
C85 C36 C16 121.0(13) 6_565 . ?
C85 C36 C35 10.7(13) 6_565 . ?
C85 C36 C37 120.4(13) 6_565 . ?
C85 C36 C69 133.5(14) 6_565 6_565 ?
C85 C36 C70 93.4(12) 6_565 6_565 ?
C85 C36 C72 52.5(9) 6_565 6_565 ?
C36 C37 C38 108.6(7) . . ?
C36 C37 C81 139.4(12) . 6_565 ?
C36 C37 C86 92.6(9) . 6_565 ?
C38 C37 C81 96.5(10) . 6_565 ?
C38 C37 C86 140.7(12) . 6_565 ?
C60 C37 C36 120.6(10) . . ?
C60 C37 C38 119.2(11) . . ?
C60 C37 C81 23.0(7) . 6_565 ?
C60 C37 C86 28.3(7) . 6_565 ?
C81 C37 C86 50.2(6) 6_565 6_565 ?
C82 C37 C36 144.7(14) 6_565 . ?
C82 C37 C38 39.8(10) 6_565 . ?
C82 C37 C60 80.8(12) 6_565 . ?
C82 C37 C81 57.8(9) 6_565 6_565 ?
C82 C37 C84 157.5(19) 6_565 6_565 ?
C82 C37 C86 106.9(13) 6_565 6_565 ?
C83 C37 C36 46.2(14) 6_565 . ?
C83 C37 C38 63.8(15) 6_565 . ?
C83 C37 C60 158(3) 6_565 . ?
C83 C37 C81 152(2) 6_565 6_565 ?
C83 C37 C82 103.2(18) 6_565 6_565 ?
C83 C37 C84 87.9(16) 6_565 6_565 ?
C83 C37 C86 135(2) 6_565 6_565 ?
C84 C37 C36 41.7(10) 6_565 . ?
C84 C37 C38 148.4(13) 6_565 . ?
C84 C37 C60 81.8(11) 6_565 . ?
C84 C37 C81 104.1(12) 6_565 6_565 ?
C84 C37 C86 53.9(8) 6_565 6_565 ?
C17 C38 C37 108.1(7) . . ?
C17 C38 C39 122.8(12) . . ?
C17 C38 C67 61.2(9) . 6_565 ?
C17 C38 C68 17.7(8) . 6_565 ?
C17 C38 C69 26.5(6) . 6_565 ?
C37 C38 C39 122.8(11) . . ?
C37 C38 C67 156.0(12) . 6_565 ?
C37 C38 C68 121.9(9) . 6_565 ?
C37 C38 C69 81.6(7) . 6_565 ?
C39 C38 C67 61.7(9) . 6_565 ?
C39 C38 C68 105.3(10) . 6_565 ?
C39 C38 C69 144.4(14) . 6_565 ?
C66 C38 C17 112.0(14) 6_565 . ?
C66 C38 C37 129.9(14) 6_565 . ?
C66 C38 C39 11.2(15) 6_565 . ?
C66 C38 C67 51.3(8) 6_565 6_565 ?
C66 C38 C68 94.4(11) 6_565 6_565 ?
C66 C38 C69 133.3(15) 6_565 6_565 ?
C66 C38 C83 152(2) 6_565 6_565 ?
C67 C38 C68 44.1(6) 6_565 6_565 ?
C67 C38 C69 85.6(9) 6_565 6_565 ?
C69 C38 C68 41.8(5) 6_565 6_565 ?
C82 C38 C17 155.1(16) 6_565 . ?
C82 C38 C37 50.2(11) 6_565 . ?
C82 C38 C39 73.6(13) 6_565 . ?
C82 C38 C66 82.6(14) 6_565 6_565 ?
C82 C38 C67 132.4(16) 6_565 6_565 ?
C82 C38 C68 157.2(19) 6_565 6_565 ?
C82 C38 C69 129.9(14) 6_565 6_565 ?
C82 C38 C83 81.0(14) 6_565 6_565 ?
C83 C38 C17 77.3(9) 6_565 . ?
C83 C38 C37 31.0(8) 6_565 . ?
C83 C38 C39 150.3(16) 6_565 . ?
C83 C38 C67 134.1(13) 6_565 6_565 ?
C83 C38 C68 92.2(11) 6_565 6_565 ?
C83 C38 C69 50.9(7) 6_565 6_565 ?
C38 C39 C62 116.5(12) . . ?
C38 C39 C67 68.7(9) . 6_565 ?
C38 C39 C82 36.4(8) . 6_565 ?
C40 C39 C38 113.9(12) . . ?
C40 C39 C62 119.2(13) . . ?
C40 C39 C67 45.5(8) . 6_565 ?
C40 C39 C82 146.0(19) . 6_565 ?
C62 C39 C67 152(2) . 6_565 ?
C62 C39 C82 80.9(10) . 6_565 ?
C65 C39 C38 156(3) 6_565 . ?
C65 C39 C40 70.3(10) 6_565 . ?
C65 C39 C62 50.0(9) 6_565 . ?
C65 C39 C67 113.6(15) 6_565 6_565 ?
C65 C39 C82 128.7(17) 6_565 6_565 ?
C66 C39 C38 44(4) 6_565 . ?
C66 C39 C40 72(4) 6_565 . ?
C66 C39 C62 136(9) 6_565 . ?
C66 C39 C65 128(8) 6_565 6_565 ?
C66 C39 C67 30(4) 6_565 6_565 ?
C66 C39 C82 75(4) 6_565 6_565 ?
C82 C39 C67 103.7(12) 6_565 6_565 ?
C19 C40 C43 125.4(9) . 6_565 ?
C19 C40 C44 74.5(7) . 6_565 ?
C19 C40 C65 154.9(11) . 6_565 ?
C39 C40 C19 121.8(12) . . ?
C39 C40 C43 99.5(10) . 6_565 ?
C39 C40 C44 141.7(15) . 6_565 ?
C39 C40 C45 137.6(14) . 6_565 ?
C39 C40 C65 48.3(8) . 6_565 ?
C41 C40 C19 108.3(7) . . ?
C41 C40 C39 120.2(11) . . ?
C41 C40 C43 20.7(6) . 6_565 ?
C41 C40 C44 34.1(7) . 6_565 ?
C41 C40 C45 87.5(8) . 6_565 ?
C41 C40 C65 72.3(9) . 6_565 ?
C43 C40 C44 51.6(6) 6_565 6_565 ?
C45 C40 C19 20.8(7) 6_565 . ?
C45 C40 C43 104.9(10) 6_565 6_565 ?
C45 C40 C44 53.7(7) 6_565 6_565 ?
C45 C40 C65 146.6(12) 6_565 6_565 ?
C65 C40 C43 51.7(7) 6_565 6_565 ?
C65 C40 C44 101.1(10) 6_565 6_565 ?
C66 C40 C19 108.0(11) 6_565 . ?
C66 C40 C39 13.9(13) 6_565 . ?
C66 C40 C41 129.4(12) 6_565 . ?
C66 C40 C43 109.2(11) 6_565 6_565 ?
C66 C40 C44 141.7(15) 6_565 6_565 ?
C66 C40 C45 123.9(13) 6_565 6_565 ?
C66 C40 C65 60.0(8) 6_565 6_565 ?
C67 C40 C19 45.0(9) 6_565 . ?
C67 C40 C39 78.0(11) 6_565 . ?
C67 C40 C41 148.8(11) 6_565 . ?
C67 C40 C43 153.4(13) 6_565 6_565 ?
C67 C40 C44 115.8(11) 6_565 6_565 ?
C67 C40 C45 64.8(10) 6_565 6_565 ?
C67 C40 C65 123.7(13) 6_565 6_565 ?
C67 C40 C66 64.8(9) 6_565 6_565 ?
C21 C41 C42 105.4(9) . 6_565 ?
C21 C41 C45 61.2(6) . 6_565 ?
C21 C41 C65 147.5(12) . 6_565 ?
C40 C41 C21 107.9(7) . . ?
C40 C41 C42 132.0(9) . 6_565 ?
C40 C41 C45 46.9(6) . 6_565 ?
C40 C41 C65 57.4(8) . 6_565 ?
C42 C41 C21 118.9(10) . . ?
C42 C41 C40 120.7(10) . . ?
C42 C41 C42 13.7(5) . 6_565 ?
C42 C41 C45 148.6(11) 6_565 6_565 ?
C42 C41 C45 150.9(12) . 6_565 ?
C42 C41 C65 63.6(7) . 6_565 ?
C43 C41 C21 130(3) 6_565 . ?
C43 C41 C40 106(2) 6_565 . ?
C43 C41 C42 27.7(18) 6_565 6_565 ?
C43 C41 C42 15(2) 6_565 . ?
C43 C41 C44 138(3) 6_565 6_565 ?
C43 C41 C45 141(3) 6_565 6_565 ?
C43 C41 C65 49(2) 6_565 6_565 ?
C44 C41 C21 17.7(12) 6_565 . ?
C44 C41 C40 90.3(13) 6_565 . ?
C44 C41 C42 118.5(15) 6_565 6_565 ?
C44 C41 C42 131.1(16) 6_565 . ?
C44 C41 C45 43.8(10) 6_565 6_565 ?
C44 C41 C65 134.7(19) 6_565 6_565 ?
C65 C41 C42 76.1(6) 6_565 6_565 ?
C65 C41 C45 100.3(9) 6_565 6_565 ?
C41 C42 C41 108.0(10) . 6_565 ?
C41 C42 C43 119.1(9) . . ?
C41 C42 C63 153.0(10) . 6_565 ?
C41 C42 C64 111.5(9) . 6_565 ?
C41 C42 C64 127.8(9) 6_565 6_565 ?
C41 C42 C65 68.1(8) . 6_565 ?
C42 C42 C41 137.1(6) 6_565 . ?
C42 C42 C41 29.1(5) 6_565 6_565 ?
C42 C42 C43 18.3(6) 6_565 . ?
C42 C42 C43 146.5(14) 6_565 6_565 ?
C42 C42 C63 59.7(6) 6_565 6_565 ?
C42 C42 C63 95.4(6) 6_565 . ?
C42 C42 C64 104.6(5) 6_565 6_565 ?
C42 C42 C65 147.0(6) 6_565 6_565 ?
C43 C42 C41 11.2(14) 6_565 . ?
C43 C42 C41 117.6(14) 6_565 6_565 ?
C43 C42 C41 11.5(7) . 6_565 ?
C43 C42 C43 128(2) 6_565 . ?
C43 C42 C63 74.7(7) . 6_565 ?
C43 C42 C63 111.0(17) 6_565 . ?
C43 C42 C63 143.0(17) 6_565 6_565 ?
C43 C42 C64 117.4(9) . 6_565 ?
C43 C42 C64 100.3(15) 6_565 6_565 ?
C43 C42 C65 152.2(12) . 6_565 ?
C43 C42 C65 56.9(13) 6_565 6_565 ?
C63 C42 C41 120.8(8) . 6_565 ?
C63 C42 C41 86.1(8) 6_565 6_565 ?
C63 C42 C41 122.2(9) . . ?
C63 C42 C43 109.7(7) . . ?
C63 C42 C63 35.7(9) . 6_565 ?
C63 C42 C64 45.2(5) 6_565 6_565 ?
C63 C42 C64 10.8(7) . 6_565 ?
C63 C42 C65 89.2(7) 6_565 6_565 ?
C63 C42 C65 54.4(9) . 6_565 ?
C65 C42 C41 155.0(10) 6_565 6_565 ?
C65 C42 C64 44.1(5) 6_565 6_565 ?
C40 C43 C21 79.7(8) 6_565 6_565 ?
C40 C43 C63 107.9(9) 6_565 6_565 ?
C41 C43 C21 36(2) 6_565 6_565 ?
C41 C43 C40 53(2) 6_565 6_565 ?
C41 C43 C42 141(3) 6_565 . ?
C41 C43 C42 154(3) 6_565 6_565 ?
C41 C43 C44 26(2) 6_565 . ?
C41 C43 C63 161(3) 6_565 6_565 ?
C41 C43 C65 112(3) 6_565 . ?
C42 C43 C21 108.5(9) . 6_565 ?
C42 C43 C21 123.6(17) 6_565 6_565 ?
C42 C43 C40 152.6(17) 6_565 6_565 ?
C42 C43 C40 161.3(12) . 6_565 ?
C42 C43 C42 15.2(10) 6_565 . ?
C42 C43 C44 122.6(11) . . ?
C42 C43 C44 137.8(19) 6_565 . ?
C42 C43 C63 44.7(11) 6_565 6_565 ?
C42 C43 C63 57.0(6) . 6_565 ?
C42 C43 C65 94.1(13) 6_565 . ?
C44 C43 C21 14.9(7) . 6_565 ?
C44 C43 C40 64.9(8) . 6_565 ?
C44 C43 C63 152.8(15) . 6_565 ?
C63 C43 C21 151.7(12) 6_565 6_565 ?
C65 C43 C21 134.4(12) . 6_565 ?
C65 C43 C40 58.8(8) . 6_565 ?
C65 C43 C42 106.6(7) . . ?
C65 C43 C44 120.5(12) . . ?
C65 C43 C63 49.7(7) . 6_565 ?
C19 C44 C22 134.8(8) 6_565 6_565 ?
C20 C44 C19 47.0(7) 6_565 6_565 ?
C20 C44 C22 80.0(9) 6_565 . ?
C20 C44 C22 91.8(7) 6_565 6_565 ?
C20 C44 C40 94.1(10) 6_565 6_565 ?
C20 C44 C43 155.4(14) 6_565 . ?
C21 C44 C19 123(2) 6_565 6_565 ?
C21 C44 C20 76.3(18) 6_565 6_565 ?
C21 C44 C22 29(2) 6_565 6_565 ?
C21 C44 C22 21(2) 6_565 . ?
C21 C44 C40 170(2) 6_565 6_565 ?
C21 C44 C41 134(3) 6_565 6_565 ?
C21 C44 C43 126(2) 6_565 . ?
C21 C44 C45 117(2) 6_565 . ?
C22 C44 C19 124.6(9) . 6_565 ?
C22 C44 C22 12.2(4) . 6_565 ?
C22 C44 C40 160.4(14) . 6_565 ?
C22 C44 C43 117.6(10) . . ?
C40 C44 C19 47.1(6) 6_565 6_565 ?
C40 C44 C22 157.3(12) 6_565 6_565 ?
C41 C44 C19 102.4(13) 6_565 6_565 ?
C41 C44 C20 149.2(17) 6_565 6_565 ?
C41 C44 C22 130.3(15) 6_565 . ?
C41 C44 C22 118.2(14) 6_565 6_565 ?
C41 C44 C40 55.6(10) 6_565 6_565 ?
C41 C44 C43 16.3(13) 6_565 . ?
C41 C44 C45 108.8(15) 6_565 . ?
C43 C44 C19 110.0(10) . 6_565 ?
C43 C44 C22 105.3(9) . 6_565 ?
C43 C44 C40 63.5(8) . 6_565 ?
C45 C44 C19 6.6(7) . 6_565 ?
C45 C44 C20 40.5(8) . 6_565 ?
C45 C44 C22 129.6(10) . 6_565 ?
C45 C44 C22 118.9(10) . . ?
C45 C44 C40 53.6(8) . 6_565 ?
C45 C44 C43 116.7(11) . . ?
C18 C45 C41 142.0(10) 6_565 6_565 ?
C19 C45 C18 24(2) 6_565 6_565 ?
C19 C45 C20 134(3) 6_565 6_565 ?
C19 C45 C21 172(3) 6_565 6_565 ?
C19 C45 C40 83(2) 6_565 6_565 ?
C19 C45 C41 128(2) 6_565 6_565 ?
C19 C45 C44 155(3) 6_565 . ?
C19 C45 C46 81(2) 6_565 . ?
C19 C45 C67 35(2) 6_565 . ?
C20 C45 C18 114.6(13) 6_565 6_565 ?
C20 C45 C21 52.5(8) 6_565 6_565 ?
C20 C45 C40 142.5(16) 6_565 6_565 ?
C20 C45 C41 97.3(12) 6_565 6_565 ?
C20 C45 C44 70.0(11) 6_565 . ?
C20 C45 C46 53.9(11) 6_565 . ?
C20 C45 C67 158.7(17) 6_565 . ?
C21 C45 C18 158.0(12) 6_565 6_565 ?
C21 C45 C41 44.7(6) 6_565 6_565 ?
C40 C45 C18 99.0(9) 6_565 6_565 ?
C40 C45 C21 90.2(9) 6_565 6_565 ?
C40 C45 C41 45.6(6) 6_565 6_565 ?
C40 C45 C44 72.7(10) 6_565 . ?
C40 C45 C67 50.6(8) 6_565 . ?
C44 C45 C18 158.3(16) . 6_565 ?
C44 C45 C21 17.5(6) . 6_565 ?
C44 C45 C41 27.4(7) . 6_565 ?
C44 C45 C67 120.5(12) . . ?
C46 C45 C18 60.9(7) . 6_565 ?
C46 C45 C21 105.0(10) . 6_565 ?
C46 C45 C40 156.9(12) . 6_565 ?
C46 C45 C41 147.6(11) . 6_565 ?
C46 C45 C44 121.3(12) . . ?
C46 C45 C67 108.6(8) . . ?
C67 C45 C18 48.5(7) . 6_565 ?
C67 C45 C21 137.2(11) . 6_565 ?
C67 C45 C41 95.2(9) . 6_565 ?
C4 C46 C18 48.3(6) 6_565 6_565 ?
C5 C46 C4 52.5(7) 6_565 6_565 ?
C5 C46 C18 100.6(10) 6_565 6_565 ?
C5 C46 C24 56.6(8) 6_565 . ?
C6 C46 C4 116.3(12) 6_565 6_565 ?
C6 C46 C5 64.9(9) 6_565 6_565 ?
C6 C46 C18 158.7(15) 6_565 6_565 ?
C6 C46 C19 138.0(14) 6_565 6_565 ?
C6 C46 C24 11.8(13) 6_565 . ?
C6 C46 C45 116.9(13) 6_565 . ?
C6 C46 C47 128.5(12) 6_565 . ?
C19 C46 C4 100.4(11) 6_565 6_565 ?
C19 C46 C5 151.7(13) 6_565 6_565 ?
C19 C46 C18 52.2(7) 6_565 6_565 ?
C19 C46 C24 141.8(13) 6_565 . ?
C20 C46 C4 161.3(15) 6_565 6_565 ?
C20 C46 C5 138.2(12) 6_565 6_565 ?
C20 C46 C6 73.8(10) 6_565 6_565 ?
C20 C46 C18 117.1(12) 6_565 6_565 ?
C20 C46 C19 65.6(10) 6_565 6_565 ?
C20 C46 C24 81.5(10) 6_565 . ?
C20 C46 C45 44.5(9) 6_565 . ?
C20 C46 C47 151.1(12) 6_565 . ?
C24 C46 C4 106.2(10) . 6_565 ?
C24 C46 C18 146.9(13) . 6_565 ?
C45 C46 C4 120.4(9) . 6_565 ?
C45 C46 C5 164.3(13) . 6_565 ?
C45 C46 C18 72.8(8) . 6_565 ?
C45 C46 C19 21.3(7) . 6_565 ?
C45 C46 C24 122.1(12) . . ?
C47 C46 C4 12.7(7) . 6_565 ?
C47 C46 C5 65.1(9) . 6_565 ?
C47 C46 C18 35.6(7) . 6_565 ?
C47 C46 C19 87.8(9) . 6_565 ?
C47 C46 C24 118.0(11) . . ?
C47 C46 C45 108.0(7) . . ?
C3 C47 C19 152.0(13) 6_565 6_565 ?
C4 C47 C3 31(3) 6_565 6_565 ?
C4 C47 C5 64(3) 6_565 6_565 ?
C4 C47 C18 149(4) 6_565 6_565 ?
C4 C47 C19 168(4) 6_565 6_565 ?
C4 C47 C46 122(3) 6_565 . ?
C4 C47 C48 13(4) 6_565 . ?
C4 C47 C68 126(3) 6_565 . ?
C5 C47 C3 87.1(9) 6_565 6_565 ?
C5 C47 C19 104.3(9) 6_565 6_565 ?
C18 C47 C3 121.1(15) 6_565 6_565 ?
C18 C47 C5 146.3(18) 6_565 6_565 ?
C18 C47 C19 42.2(11) 6_565 6_565 ?
C18 C47 C46 88.7(12) 6_565 . ?
C18 C47 C48 144.0(15) 6_565 . ?
C18 C47 C68 25.2(11) 6_565 . ?
C46 C47 C3 140.4(13) . 6_565 ?
C46 C47 C5 58.1(8) . 6_565 ?
C46 C47 C19 46.5(6) . 6_565 ?
C46 C47 C68 108.8(8) . . ?
C48 C47 C3 22.9(7) . 6_565 ?
C48 C47 C5 65.1(8) . 6_565 ?
C48 C47 C19 159.0(15) . 6_565 ?
C48 C47 C46 121.8(11) . . ?
C48 C47 C68 118.9(11) . . ?
C68 C47 C3 96.1(10) . 6_565 ?
C68 C47 C5 156.4(16) . 6_565 ?
C68 C47 C19 63.5(6) . 6_565 ?
C1 C48 C15 136.7(11) 6_565 6_565 ?
C2 C48 C1 53.7(7) 6_565 6_565 ?
C2 C48 C5 103.3(11) 6_565 6_565 ?
C2 C48 C15 88.3(9) 6_565 6_565 ?
C2 C48 C47 158.7(16) 6_565 . ?
C2 C48 C49 43.8(7) 6_565 . ?
C2 C48 C71 66.4(8) 6_565 . ?
C3 C48 C1 132.5(19) 6_565 6_565 ?
C3 C48 C2 79.8(14) 6_565 6_565 ?
C3 C48 C4 112(2) 6_565 6_565 ?
C3 C48 C5 162(3) 6_565 6_565 ?
C3 C48 C15 14.6(15) 6_565 6_565 ?
C3 C48 C47 109.8(17) 6_565 . ?
C3 C48 C49 123.0(16) 6_565 . ?
C3 C48 C71 14.1(16) 6_565 . ?
C4 C48 C1 111.2(14) 6_565 6_565 ?
C4 C48 C2 162(2) 6_565 6_565 ?
C4 C48 C5 61.1(10) 6_565 6_565 ?
C4 C48 C15 100.9(14) 6_565 6_565 ?
C4 C48 C47 5.9(19) 6_565 . ?
C4 C48 C49 121.0(16) 6_565 . ?
C4 C48 C71 124.1(16) 6_565 . ?
C5 C48 C1 50.2(6) 6_565 6_565 ?
C5 C48 C15 147.9(12) 6_565 6_565 ?
C47 C48 C1 111.5(10) . 6_565 ?
C47 C48 C5 61.7(8) . 6_565 ?
C47 C48 C15 97.7(9) . 6_565 ?
C47 C48 C49 121.0(10) . . ?
C47 C48 C71 120.8(10) . . ?
C49 C48 C1 9.9(7) . 6_565 ?
C49 C48 C5 60.0(9) . 6_565 ?
C49 C48 C15 128.5(9) . 6_565 ?
C71 C48 C1 118.5(9) . 6_565 ?
C71 C48 C5 156.2(14) . 6_565 ?
C71 C48 C15 23.2(7) . 6_565 ?
C71 C48 C49 109.0(7) . . ?
C1 C49 C2 164(4) 6_565 6_565 ?
C1 C49 C3 149(3) 6_565 6_565 ?
C1 C49 C5 66(3) 6_565 6_565 ?
C1 C49 C9 38(3) 6_565 6_565 ?
C1 C49 C25 23(4) 6_565 . ?
C1 C49 C48 131(3) 6_565 . ?
C1 C49 C50 118(3) 6_565 . ?
C2 C49 C3 46.3(8) 6_565 6_565 ?
C2 C49 C5 128.9(15) 6_565 6_565 ?
C2 C49 C9 126.1(14) 6_565 6_565 ?
C2 C49 C25 155(2) 6_565 . ?
C2 C49 C48 64.6(10) 6_565 . ?
C2 C49 C50 46.1(9) 6_565 . ?
C5 C49 C3 82.8(8) 6_565 6_565 ?
C5 C49 C9 98.5(8) 6_565 6_565 ?
C9 C49 C3 157.4(13) 6_565 6_565 ?
C25 C49 C3 132.7(11) . 6_565 ?
C25 C49 C5 56.4(7) . 6_565 ?
C25 C49 C9 42.2(6) . 6_565 ?
C48 C49 C3 18.8(6) . 6_565 ?
C48 C49 C5 65.2(9) . 6_565 ?
C48 C49 C9 157.6(12) . 6_565 ?
C48 C49 C25 119.0(10) . . ?
C50 C49 C3 90.3(7) . 6_565 ?
C50 C49 C5 158.5(14) . 6_565 ?
C50 C49 C9 80.2(9) . 6_565 ?
C50 C49 C25 118.3(12) . . ?
C50 C49 C48 109.1(8) . . ?
C1 C50 C9 42.7(5) 6_565 6_565 ?
C1 C50 C10 84.6(7) 6_565 6_565 ?
C2 C50 C1 59.4(9) 6_565 6_565 ?
C2 C50 C9 101.8(11) 6_565 6_565 ?
C2 C50 C10 143.3(13) 6_565 6_565 ?
C2 C50 C11 159.8(17) 6_565 6_565 ?
C2 C50 C28 167.8(17) 6_565 . ?
C2 C50 C49 47.3(8) 6_565 . ?
C2 C50 C51 62.2(9) 6_565 . ?
C10 C50 C9 41.9(5) 6_565 6_565 ?
C11 C50 C1 133.1(11) 6_565 6_565 ?
C11 C50 C9 91.1(9) 6_565 6_565 ?
C11 C50 C10 49.7(7) 6_565 6_565 ?
C12 C50 C1 152.1(16) 6_565 6_565 ?
C12 C50 C2 95.3(15) 6_565 6_565 ?
C12 C50 C9 155.6(16) 6_565 6_565 ?
C12 C50 C10 117.7(14) 6_565 6_565 ?
C12 C50 C11 68.1(11) 6_565 6_565 ?
C12 C50 C28 90.3(14) 6_565 . ?
C12 C50 C49 140.9(14) 6_565 . ?
C12 C50 C51 33.7(11) 6_565 . ?
C28 C50 C1 112.5(10) . 6_565 ?
C28 C50 C9 69.8(8) . 6_565 ?
C28 C50 C10 27.9(7) . 6_565 ?
C28 C50 C11 22.2(7) . 6_565 ?
C28 C50 C49 124.3(11) . . ?
C28 C50 C51 121.5(11) . . ?
C49 C50 C1 12.1(7) . 6_565 ?
C49 C50 C9 54.7(7) . 6_565 ?
C49 C50 C10 96.6(9) . 6_565 ?
C49 C50 C11 144.2(12) . 6_565 ?
C49 C50 C51 107.2(7) . . ?
C51 C50 C1 118.8(9) . 6_565 ?
C51 C50 C9 152.6(10) . 6_565 ?
C51 C50 C10 145.6(11) . 6_565 ?
C51 C50 C11 99.6(11) . 6_565 ?
C2 C51 C3 47.6(7) 6_565 6_565 ?
C2 C51 C14 126.4(11) 6_565 6_565 ?
C2 C51 C50 42.5(7) 6_565 . ?
C2 C51 C52 158.0(17) 6_565 . ?
C2 C51 C71 65.9(8) 6_565 . ?
C12 C51 C2 79.9(13) 6_565 6_565 ?
C12 C51 C3 126.8(15) 6_565 6_565 ?
C12 C51 C13 93.3(15) 6_565 6_565 ?
C12 C51 C14 146.4(18) 6_565 6_565 ?
C12 C51 C50 37.9(12) 6_565 . ?
C12 C51 C52 88.7(15) 6_565 . ?
C12 C51 C71 145.4(15) 6_565 . ?
C13 C51 C2 166.4(19) 6_565 6_565 ?
C13 C51 C3 135.5(14) 6_565 6_565 ?
C13 C51 C14 56.1(9) 6_565 6_565 ?
C13 C51 C50 128.5(14) 6_565 . ?
C13 C51 C52 8.5(17) 6_565 . ?
C13 C51 C71 118.8(14) 6_565 . ?
C14 C51 C3 79.8(8) 6_565 6_565 ?
C50 C51 C3 88.9(7) . 6_565 ?
C50 C51 C14 155.3(12) . 6_565 ?
C52 C51 C3 136.2(12) . 6_565 ?
C52 C51 C14 59.1(8) . 6_565 ?
C52 C51 C50 122.0(13) . . ?
C52 C51 C71 121.3(12) . . ?
C71 C51 C3 18.6(6) . 6_565 ?
C71 C51 C14 62.7(8) . 6_565 ?
C71 C51 C50 107.5(7) . . ?
C13 C52 C12 53(4) 6_565 6_565 ?
C13 C52 C14 64(4) 6_565 6_565 ?
C13 C52 C32 166(8) 6_565 6_565 ?
C13 C52 C51 29(5) 6_565 . ?
C13 C52 C53 134(4) 6_565 . ?
C13 C52 C73 108(4) 6_565 . ?
C14 C52 C12 104.9(11) 6_565 6_565 ?
C32 C52 C12 132.4(14) 6_565 6_565 ?
C32 C52 C14 118.7(14) 6_565 6_565 ?
C32 C52 C51 162(2) 6_565 . ?
C32 C52 C53 47.0(8) 6_565 . ?
C32 C52 C73 71.9(10) 6_565 . ?
C51 C52 C12 32.1(7) . 6_565 ?
C51 C52 C14 73.2(9) . 6_565 ?
C51 C52 C53 117.5(12) . . ?
C51 C52 C73 119.9(12) . . ?
C53 C52 C12 85.7(10) . 6_565 ?
C53 C52 C14 159.5(19) . 6_565 ?
C73 C52 C12 149.9(15) . 6_565 ?
C73 C52 C14 47.1(8) . 6_565 ?
C73 C52 C53 117.8(12) . . ?
C11 C53 C12 40.9(5) 6_565 6_565 ?
C13 C53 C11 84.3(8) 6_565 6_565 ?
C13 C53 C12 43.6(5) 6_565 6_565 ?
C29 C53 C11 30.0(7) . 6_565 ?
C29 C53 C12 70.9(8) . 6_565 ?
C29 C53 C13 114.3(10) . 6_565 ?
C29 C53 C30 16.7(6) . 6_565 ?
C29 C53 C54 106.9(7) . . ?
C30 C53 C11 46.3(5) 6_565 6_565 ?
C30 C53 C12 87.2(8) 6_565 6_565 ?
C30 C53 C13 130.2(10) 6_565 6_565 ?
C30 C53 C54 90.7(8) 6_565 . ?
C31 C53 C11 115.4(14) 6_565 6_565 ?
C31 C53 C12 152.3(17) 6_565 6_565 ?
C31 C53 C13 150.4(16) 6_565 6_565 ?
C31 C53 C29 87.2(10) 6_565 . ?
C31 C53 C30 70.6(12) 6_565 6_565 ?
C31 C53 C32 90.4(14) 6_565 6_565 ?
C31 C53 C52 142.2(17) 6_565 . ?
C31 C53 C54 21.4(9) 6_565 . ?
C32 C53 C11 144.3(13) 6_565 6_565 ?
C32 C53 C12 106.3(11) 6_565 6_565 ?
C32 C53 C13 63.4(9) 6_565 6_565 ?
C32 C53 C29 164.8(15) 6_565 . ?
C32 C53 C30 156.8(15) 6_565 6_565 ?
C32 C53 C52 55.5(9) 6_565 . ?
C32 C53 C54 69.2(10) 6_565 . ?
C52 C53 C11 91.3(9) . 6_565 ?
C52 C53 C12 51.0(8) . 6_565 ?
C52 C53 C13 8.4(9) . 6_565 ?
C52 C53 C29 121.1(11) . . ?
C52 C53 C30 136.3(12) . 6_565 ?
C52 C53 C54 121.3(11) . . ?
C54 C53 C11 132.5(9) . 6_565 ?
C54 C53 C12 155.5(11) . 6_565 ?
C54 C53 C13 129.7(10) . 6_565 ?
C31 C54 C31 83.7(14) 6_565 . ?
C31 C54 C32 147.2(10) . 6_565 ?
C31 C54 C32 67.0(13) 6_565 6_565 ?
C31 C54 C53 25.5(11) 6_565 . ?
C31 C54 C53 107.4(7) . . ?
C31 C54 C54 112.5(12) 6_565 6_565 ?
C31 C54 C55 156(2) 6_565 6_565 ?
C31 C54 C55 82.4(7) . 6_565 ?
C31 C54 C55 117.8(9) . . ?
C31 C54 C55 146.9(19) 6_565 . ?
C32 C54 C55 119.1(8) 6_565 6_565 ?
C53 C54 C32 41.8(7) . 6_565 ?
C53 C54 C55 150.5(11) . 6_565 ?
C54 C54 C31 28.8(5) 6_565 . ?
C54 C54 C32 166.0(6) 6_565 6_565 ?
C54 C54 C53 135.7(5) 6_565 . ?
C54 C54 C55 55.5(5) 6_565 6_565 ?
C54 C54 C55 91.6(6) 6_565 . ?
C55 C54 C32 84.1(8) . 6_565 ?
C55 C54 C53 123.0(10) . . ?
C55 C54 C55 36.1(8) . 6_565 ?
C33 C55 C32 45.9(5) 6_565 6_565 ?
C33 C55 C54 126.4(9) 6_565 6_565 ?
C33 C55 C74 18.8(7) 6_565 . ?
C54 C55 C32 80.6(6) 6_565 6_565 ?
C54 C55 C32 48.4(6) . 6_565 ?
C54 C55 C33 94.3(8) . 6_565 ?
C54 C55 C54 32.9(7) . 6_565 ?
C54 C55 C74 111.4(10) . . ?
C55 C55 C32 135.1(5) 6_565 6_565 ?
C55 C55 C33 168.3(7) 6_565 6_565 ?
C55 C55 C54 55.5(5) 6_565 6_565 ?
C55 C55 C54 88.4(6) 6_565 . ?
C55 C55 C56 34.2(5) 6_565 . ?
C55 C55 C74 152.6(7) 6_565 . ?
C56 C55 C32 155.1(13) . 6_565 ?
C56 C55 C32 115.5(15) 6_565 6_565 ?
C56 C55 C33 138.1(10) . 6_565 ?
C56 C55 C33 72.8(13) 6_565 6_565 ?
C56 C55 C54 148.9(18) 6_565 6_565 ?
C56 C55 C54 87.8(8) . 6_565 ?
C56 C55 C54 157(2) 6_565 . ?
C56 C55 C54 119.9(9) . . ?
C56 C55 C55 100.6(13) 6_565 6_565 ?
C56 C55 C56 66.4(14) 6_565 . ?
C56 C55 C74 54.0(13) 6_565 . ?
C56 C55 C74 119.4(9) . . ?
C74 C55 C32 63.3(8) . 6_565 ?
C74 C55 C54 141.6(10) . 6_565 ?
C33 C56 C57 152.4(10) . 6_565 ?
C33 C56 C57 118.1(8) . . ?
C33 C56 C75 68.5(7) . 6_565 ?
C55 C56 C33 74.4(13) 6_565 . ?
C55 C56 C33 118.9(8) . . ?
C55 C56 C55 45.2(13) 6_565 . ?
C55 C56 C56 79.4(13) 6_565 6_565 ?
C55 C56 C57 128.2(16) 6_565 6_565 ?
C55 C56 C57 83.4(7) . 6_565 ?
C55 C56 C57 119.8(8) . . ?
C55 C56 C57 163.2(19) 6_565 . ?
C55 C56 C74 92.3(14) 6_565 6_565 ?
C55 C56 C75 142.5(16) 6_565 6_565 ?
C55 C56 C75 165.9(12) . 6_565 ?
C56 C56 C33 151.9(6) 6_565 . ?
C56 C56 C55 34.2(5) 6_565 . ?
C56 C56 C57 49.4(4) 6_565 6_565 ?
C56 C56 C57 86.0(5) 6_565 . ?
C56 C56 C75 135.7(5) 6_565 6_565 ?
C57 C56 C57 36.6(7) . 6_565 ?
C57 C56 C75 50.1(6) . 6_565 ?
C74 C56 C33 18.0(8) 6_565 . ?
C74 C56 C55 136.3(11) 6_565 . ?
C74 C56 C56 165.9(9) 6_565 6_565 ?
C74 C56 C57 135.7(11) 6_565 6_565 ?
C74 C56 C57 100.3(9) 6_565 . ?
C74 C56 C75 50.5(8) 6_565 6_565 ?
C75 C56 C57 86.5(6) 6_565 6_565 ?
C56 C57 C56 44.6(7) . 6_565 ?
C56 C57 C58 118.4(8) . . ?
C57 C57 C56 49.4(4) 6_565 6_565 ?
C57 C57 C56 94.0(5) 6_565 . ?
C57 C57 C58 143.6(6) 6_565 . ?
C57 C57 C75 170.0(8) 6_565 6_565 ?
C57 C57 C76 26.2(6) 6_565 . ?
C58 C57 C56 158.2(11) . 6_565 ?
C75 C57 C56 78.6(8) 6_565 . ?
C75 C57 C56 122.8(9) 6_565 6_565 ?
C75 C57 C58 41.1(7) 6_565 . ?
C76 C57 C56 120.0(9) . . ?
C76 C57 C56 162(2) 6_565 . ?
C76 C57 C56 151(2) 6_565 6_565 ?
C76 C57 C56 75.5(7) . 6_565 ?
C76 C57 C57 102.5(17) 6_565 6_565 ?
C76 C57 C58 43.9(17) 6_565 . ?
C76 C57 C58 118.4(9) . . ?
C76 C57 C75 159.2(12) . 6_565 ?
C76 C57 C75 84.3(18) 6_565 6_565 ?
C76 C57 C76 76.3(19) 6_565 . ?
C35 C58 C57 122.5(9) . . ?
C35 C58 C59 119.5(9) . . ?
C35 C58 C77 150.2(10) . 6_565 ?
C35 C58 C84 48.1(8) . 6_565 ?
C35 C58 C85 14.3(11) . 6_565 ?
C35 C58 C86 94.8(9) . 6_565 ?
C57 C58 C84 162.2(12) . 6_565 ?
C57 C58 C85 124.5(10) . 6_565 ?
C57 C58 C86 140.0(10) . 6_565 ?
C59 C58 C57 116.8(9) . . ?
C59 C58 C77 30.8(7) . 6_565 ?
C59 C58 C84 71.6(8) . 6_565 ?
C59 C58 C85 112.5(10) . 6_565 ?
C59 C58 C86 24.8(8) . 6_565 ?
C75 C58 C35 58.9(11) 6_565 . ?
C75 C58 C57 64.4(10) 6_565 . ?
C75 C58 C59 177.3(16) 6_565 . ?
C75 C58 C76 86.7(11) 6_565 6_565 ?
C75 C58 C77 150.7(14) 6_565 6_565 ?
C75 C58 C84 106.5(13) 6_565 6_565 ?
C75 C58 C85 65.4(12) 6_565 6_565 ?
C75 C58 C86 153.2(14) 6_565 6_565 ?
C76 C58 C35 145.2(11) 6_565 . ?
C76 C58 C57 22.8(7) 6_565 . ?
C76 C58 C59 94.8(11) 6_565 . ?
C76 C58 C77 64.1(9) 6_565 6_565 ?
C76 C58 C84 162.8(15) 6_565 6_565 ?
C76 C58 C85 146.4(13) 6_565 6_565 ?
C76 C58 C86 119.0(13) 6_565 6_565 ?
C77 C58 C57 86.4(8) 6_565 . ?
C77 C58 C84 102.2(9) 6_565 6_565 ?
C77 C58 C85 141.5(11) 6_565 6_565 ?
C77 C58 C86 55.5(7) 6_565 6_565 ?
C85 C58 C84 41.9(8) 6_565 6_565 ?
C85 C58 C86 87.9(9) 6_565 6_565 ?
C86 C58 C84 46.8(6) 6_565 6_565 ?
C58 C59 C76 36.3(7) . 6_565 ?
C58 C59 C78 115.7(10) . 6_565 ?
C58 C59 C81 131.1(12) . 6_565 ?
C58 C59 C84 63.6(8) . 6_565 ?
C60 C59 C58 119.5(10) . . ?
C60 C59 C76 149.0(11) . 6_565 ?
C60 C59 C78 108.3(8) . . ?
C60 C59 C78 113.2(7) . 6_565 ?
C60 C59 C81 17.6(7) . 6_565 ?
C60 C59 C84 57.9(7) . 6_565 ?
C76 C59 C84 99.4(8) 6_565 6_565 ?
C77 C59 C58 78.7(13) 6_565 . ?
C77 C59 C60 152.1(19) 6_565 . ?
C77 C59 C76 42.5(11) 6_565 6_565 ?
C77 C59 C78 40.3(13) 6_565 6_565 ?
C77 C59 C78 46.0(12) 6_565 . ?
C77 C59 C81 134.6(19) 6_565 6_565 ?
C77 C59 C84 141.7(16) 6_565 6_565 ?
C78 C59 C58 122.0(11) . . ?
C78 C59 C76 86.4(8) . 6_565 ?
C78 C59 C76 80.1(8) 6_565 6_565 ?
C78 C59 C78 6.3(3) . 6_565 ?
C78 C59 C81 90.9(8) . 6_565 ?
C78 C59 C84 159.0(11) 6_565 6_565 ?
C78 C59 C84 159.1(12) . 6_565 ?
C81 C59 C76 148.9(13) 6_565 6_565 ?
C81 C59 C78 95.8(7) 6_565 6_565 ?
C81 C59 C84 73.7(8) 6_565 6_565 ?
C86 C59 C58 94.2(19) 6_565 . ?
C86 C59 C60 28.9(16) 6_565 . ?
C86 C59 C76 130(2) 6_565 6_565 ?
C86 C59 C77 169(4) 6_565 6_565 ?
C86 C59 C78 141.8(19) 6_565 6_565 ?
C86 C59 C78 137.1(19) 6_565 . ?
C86 C59 C81 46.2(16) 6_565 6_565 ?
C86 C59 C84 30.6(16) 6_565 6_565 ?
C37 C60 C61 120.2(10) . . ?
C37 C60 C80 126.7(10) . 6_565 ?
C37 C60 C82 42.1(8) . 6_565 ?
C37 C60 C84 44.9(8) . 6_565 ?
C59 C60 C37 121.7(10) . . ?
C59 C60 C61 108.6(7) . . ?
C59 C60 C80 97.7(8) . 6_565 ?
C59 C60 C82 149.4(13) . 6_565 ?
C59 C60 C84 78.8(10) . 6_565 ?
C61 C60 C80 11.6(8) . 6_565 ?
C61 C60 C82 78.1(10) . 6_565 ?
C61 C60 C84 159.7(12) . 6_565 ?
C81 C60 C37 103.4(19) 6_565 . ?
C81 C60 C59 124(2) 6_565 . ?
C81 C60 C61 17.0(17) 6_565 . ?
C81 C60 C80 26.7(16) 6_565 6_565 ?
C81 C60 C82 61.3(15) 6_565 6_565 ?
C81 C60 C84 146(2) 6_565 6_565 ?
C81 C60 C86 147(3) 6_565 6_565 ?
C82 C60 C80 85.6(9) 6_565 6_565 ?
C82 C60 C84 86.2(9) 6_565 6_565 ?
C84 C60 C80 156.6(13) 6_565 6_565 ?
C86 C60 C37 100.2(16) 6_565 . ?
C86 C60 C59 24.0(14) 6_565 . ?
C86 C60 C61 132.5(16) 6_565 . ?
C86 C60 C80 121.4(17) 6_565 6_565 ?
C86 C60 C82 138(2) 6_565 6_565 ?
C86 C60 C84 55.8(11) 6_565 6_565 ?
C60 C61 C62 122.4(11) . . ?
C60 C61 C64 147.0(12) . 6_565 ?
C60 C61 C79 112.1(7) . 6_565 ?
C60 C61 C79 107.0(8) . . ?
C60 C61 C82 56.1(7) . 6_565 ?
C62 C61 C64 30.2(8) . 6_565 ?
C62 C61 C79 110.6(11) . 6_565 ?
C62 C61 C82 67.4(8) . 6_565 ?
C64 C61 C79 81.5(8) 6_565 6_565 ?
C64 C61 C82 96.5(9) 6_565 6_565 ?
C79 C61 C62 117.4(12) . . ?
C79 C61 C64 88.2(9) . 6_565 ?
C79 C61 C79 6.8(4) . 6_565 ?
C79 C61 C82 150.1(12) . 6_565 ?
C80 C61 C60 145(2) 6_565 . ?
C80 C61 C62 77.2(17) 6_565 . ?
C80 C61 C64 47.1(14) 6_565 6_565 ?
C80 C61 C79 35.7(15) 6_565 6_565 ?
C80 C61 C79 42.0(14) 6_565 . ?
C80 C61 C81 154(4) 6_565 6_565 ?
C80 C61 C82 140(2) 6_565 6_565 ?
C81 C61 C60 14.5(14) 6_565 . ?
C81 C61 C62 109(2) 6_565 . ?
C81 C61 C64 136(2) 6_565 6_565 ?
C81 C61 C79 120.6(18) 6_565 . ?
C81 C61 C79 125.1(18) 6_565 6_565 ?
C81 C61 C82 41.8(15) 6_565 6_565 ?
C82 C61 C79 149.4(11) 6_565 6_565 ?
C39 C62 C63 118.5(10) . . ?
C39 C62 C66 8.0(19) . 6_565 ?
C39 C62 C80 143.4(13) . 6_565 ?
C39 C62 C81 94.6(9) . 6_565 ?
C39 C62 C82 50.2(8) . 6_565 ?
C61 C62 C39 118.2(10) . . ?
C61 C62 C63 117.3(11) . . ?
C61 C62 C66 113.3(11) . 6_565 ?
C61 C62 C80 28.4(8) . 6_565 ?
C61 C62 C81 23.6(8) . 6_565 ?
C61 C62 C82 68.1(9) . 6_565 ?
C63 C62 C66 119.2(11) . 6_565 ?
C63 C62 C80 89.0(10) . 6_565 ?
C63 C62 C81 136.4(12) . 6_565 ?
C63 C62 C82 156.4(13) . 6_565 ?
C64 C62 C39 140.4(15) 6_565 . ?
C64 C62 C61 96.7(15) 6_565 . ?
C64 C62 C63 22.1(10) 6_565 . ?
C64 C62 C65 86.8(14) 6_565 6_565 ?
C64 C62 C66 140.4(17) 6_565 6_565 ?
C64 C62 C80 68.4(13) 6_565 6_565 ?
C64 C62 C81 118.3(17) 6_565 6_565 ?
C64 C62 C82 157.8(19) 6_565 6_565 ?
C65 C62 C39 54.2(10) 6_565 . ?
C65 C62 C61 162.1(17) 6_565 . ?
C65 C62 C63 64.8(11) 6_565 . ?
C65 C62 C66 56.9(9) 6_565 6_565 ?
C65 C62 C80 148.8(16) 6_565 6_565 ?
C65 C62 C81 143.5(14) 6_565 6_565 ?
C65 C62 C82 102.9(12) 6_565 6_565 ?
C66 C62 C81 89.7(9) 6_565 6_565 ?
C66 C62 C82 46.2(6) 6_565 6_565 ?
C80 C62 C66 136.7(13) 6_565 6_565 ?
C80 C62 C81 50.6(7) 6_565 6_565 ?
C80 C62 C82 94.9(10) 6_565 6_565 ?
C81 C62 C82 44.6(6) 6_565 6_565 ?
C42 C63 C42 24.9(8) . 6_565 ?
C42 C63 C43 48.4(4) 6_565 6_565 ?
C42 C63 C43 24.3(8) . 6_565 ?
C42 C63 C62 119.1(10) . . ?
C42 C63 C64 107.6(7) . . ?
C42 C63 C65 73.0(10) . 6_565 ?
C62 C63 C42 141.1(10) . 6_565 ?
C62 C63 C43 94.8(9) . 6_565 ?
C63 C63 C42 59.7(6) 6_565 6_565 ?
C63 C63 C42 84.6(6) 6_565 . ?
C63 C63 C43 107.3(6) 6_565 6_565 ?
C63 C63 C62 147.5(7) 6_565 . ?
C63 C63 C64 24.4(7) 6_565 . ?
C63 C63 C65 153.6(7) 6_565 6_565 ?
C64 C63 C42 163(2) 6_565 6_565 ?
C64 C63 C42 82.9(8) . 6_565 ?
C64 C63 C42 147(2) 6_565 . ?
C64 C63 C43 128.1(10) . 6_565 ?
C64 C63 C43 123(2) 6_565 6_565 ?
C64 C63 C62 28.9(16) 6_565 . ?
C64 C63 C62 124.1(12) . . ?
C64 C63 C63 122.3(19) 6_565 6_565 ?
C64 C63 C64 98(2) 6_565 . ?
C64 C63 C65 75.8(17) 6_565 6_565 ?
C65 C63 C42 97.2(8) 6_565 6_565 ?
C65 C63 C43 48.9(6) 6_565 6_565 ?
C65 C63 C62 46.9(7) 6_565 . ?
C65 C63 C64 158.4(16) 6_565 . ?
C61 C64 C42 150.1(11) 6_565 6_565 ?
C62 C64 C42 107.8(14) 6_565 6_565 ?
C62 C64 C61 53.1(11) 6_565 6_565 ?
C62 C64 C63 156.5(18) 6_565 . ?
C62 C64 C64 159.9(16) 6_565 6_565 ?
C62 C64 C65 53.6(12) 6_565 . ?
C62 C64 C80 74.8(13) 6_565 . ?
C63 C64 C42 51.9(6) . 6_565 ?
C63 C64 C42 21.7(14) 6_565 6_565 ?
C63 C64 C61 164(3) 6_565 6_565 ?
C63 C64 C61 137.7(13) . 6_565 ?
C63 C64 C62 129(2) 6_565 6_565 ?
C63 C64 C63 33.3(16) 6_565 . ?
C63 C64 C64 57.7(19) 6_565 6_565 ?
C63 C64 C64 24.4(7) . 6_565 ?
C63 C64 C65 75.4(16) 6_565 . ?
C63 C64 C80 149(3) 6_565 . ?
C64 C64 C42 75.4(5) 6_565 6_565 ?
C64 C64 C61 114.6(6) 6_565 6_565 ?
C65 C64 C42 54.9(7) . 6_565 ?
C65 C64 C61 104.8(10) . 6_565 ?
C65 C64 C63 106.6(7) . . ?
C65 C64 C64 129.0(6) . 6_565 ?
C80 C64 C42 153.1(13) . 6_565 ?
C80 C64 C61 21.8(8) . 6_565 ?
C80 C64 C63 117.3(13) . . ?
C80 C64 C64 93.4(7) . 6_565 ?
C80 C64 C65 125.2(12) . . ?
C39 C65 C40 61.4(9) 6_565 6_565 ?
C39 C65 C41 111.3(12) 6_565 6_565 ?
C39 C65 C42 156.5(16) 6_565 6_565 ?
C39 C65 C43 129.8(14) 6_565 . ?
C39 C65 C63 143.0(15) 6_565 6_565 ?
C39 C65 C64 115.0(13) 6_565 . ?
C39 C65 C66 11(2) 6_565 . ?
C40 C65 C41 50.3(6) 6_565 6_565 ?
C40 C65 C42 98.4(9) 6_565 6_565 ?
C42 C65 C41 48.2(6) 6_565 6_565 ?
C43 C65 C40 69.4(9) . 6_565 ?
C43 C65 C41 19.2(7) . 6_565 ?
C43 C65 C42 29.0(5) . 6_565 ?
C43 C65 C63 81.4(7) . 6_565 ?
C43 C65 C64 109.3(8) . . ?
C43 C65 C66 120.5(12) . . ?
C62 C65 C39 75.8(11) 6_565 6_565 ?
C62 C65 C40 135.6(14) 6_565 6_565 ?
C62 C65 C41 160.8(15) 6_565 6_565 ?
C62 C65 C42 119.9(12) 6_565 6_565 ?
C62 C65 C43 146.3(13) 6_565 . ?
C62 C65 C63 68.3(10) 6_565 6_565 ?
C62 C65 C64 39.6(10) 6_565 . ?
C62 C65 C66 81.7(11) 6_565 . ?
C63 C65 C40 149.1(11) 6_565 6_565 ?
C63 C65 C41 100.6(9) 6_565 6_565 ?
C63 C65 C42 52.6(6) 6_565 6_565 ?
C63 C65 C64 28.7(6) 6_565 . ?
C63 C65 C66 145.3(14) 6_565 . ?
C64 C65 C40 164.1(13) . 6_565 ?
C64 C65 C41 128.2(9) . 6_565 ?
C64 C65 C42 81.0(6) . 6_565 ?
C64 C65 C66 119.5(12) . . ?
C66 C65 C40 54.1(8) . 6_565 ?
C66 C65 C41 102.8(9) . 6_565 ?
C66 C65 C42 145.9(12) . 6_565 ?
C38 C66 C40 138.1(15) 6_565 6_565 ?
C38 C66 C62 113.1(12) 6_565 6_565 ?
C38 C66 C65 153.9(16) 6_565 . ?
C38 C66 C67 85.3(12) 6_565 . ?
C38 C66 C82 39.4(9) 6_565 . ?
C39 C66 C38 125(5) 6_565 6_565 ?
C39 C66 C40 94(4) 6_565 6_565 ?
C39 C66 C62 36(7) 6_565 6_565 ?
C39 C66 C65 41(6) 6_565 . ?
C39 C66 C67 143(5) 6_565 . ?
C39 C66 C82 91(4) 6_565 . ?
C40 C66 C62 107.2(11) 6_565 6_565 ?
C40 C66 C65 65.9(9) 6_565 . ?
C40 C66 C67 52.8(9) 6_565 . ?
C40 C66 C82 171(2) 6_565 . ?
C65 C66 C62 41.4(7) . 6_565 ?
C67 C66 C62 155.9(17) . 6_565 ?
C67 C66 C65 117.8(12) . . ?
C67 C66 C82 123.6(12) . . ?
C82 C66 C62 73.7(9) . 6_565 ?
C82 C66 C65 115.0(12) . . ?
C17 C67 C38 48.9(7) 6_565 6_565 ?
C17 C67 C39 98.5(10) 6_565 6_565 ?
C18 C67 C17 55.3(8) 6_565 6_565 ?
C18 C67 C38 103.9(11) 6_565 6_565 ?
C18 C67 C39 152.0(14) 6_565 6_565 ?
C18 C67 C45 81.7(9) 6_565 . ?
C18 C67 C68 27.8(7) 6_565 . ?
C19 C67 C17 121.9(15) 6_565 6_565 ?
C19 C67 C18 67.5(11) 6_565 6_565 ?
C19 C67 C38 161.8(17) 6_565 6_565 ?
C19 C67 C39 134.3(15) 6_565 6_565 ?
C19 C67 C40 79.4(13) 6_565 6_565 ?
C19 C67 C45 16.7(10) 6_565 . ?
C19 C67 C66 138.3(16) 6_565 . ?
C19 C67 C68 94.4(11) 6_565 . ?
C39 C67 C38 49.6(6) 6_565 6_565 ?
C40 C67 C17 153.5(14) 6_565 6_565 ?
C40 C67 C18 146.3(14) 6_565 6_565 ?
C40 C67 C38 105.8(12) 6_565 6_565 ?
C40 C67 C39 56.5(8) 6_565 6_565 ?
C40 C67 C45 64.6(10) 6_565 . ?
C40 C67 C66 62.4(10) 6_565 . ?
C40 C67 C68 165.2(15) 6_565 . ?
C45 C67 C17 133.0(10) . 6_565 ?
C45 C67 C38 153.9(13) . 6_565 ?
C45 C67 C39 117.9(12) . 6_565 ?
C66 C67 C17 92.0(10) . 6_565 ?
C66 C67 C18 144.9(14) . 6_565 ?
C66 C67 C38 43.4(8) . 6_565 ?
C66 C67 C39 7.1(13) . 6_565 ?
C66 C67 C45 121.7(13) . . ?
C66 C67 C68 118.3(13) . . ?
C68 C67 C17 27.7(8) . 6_565 ?
C68 C67 C38 76.2(10) . 6_565 ?
C68 C67 C39 125.1(12) . 6_565 ?
C68 C67 C45 107.0(8) . . ?
C4 C68 C16 101.4(9) 6_565 6_565 ?
C4 C68 C19 84.1(8) 6_565 6_565 ?
C4 C68 C38 158.4(16) 6_565 6_565 ?
C16 C68 C38 72.5(8) 6_565 6_565 ?
C17 C68 C4 145.4(18) 6_565 6_565 ?
C17 C68 C16 44.0(14) 6_565 6_565 ?
C17 C68 C19 127(2) 6_565 6_565 ?
C17 C68 C38 34.2(16) 6_565 6_565 ?
C17 C68 C47 157(2) 6_565 . ?
C17 C68 C67 92.8(19) 6_565 . ?
C17 C68 C69 35.2(14) 6_565 . ?
C18 C68 C4 49.7(15) 6_565 6_565 ?
C18 C68 C16 151(2) 6_565 6_565 ?
C18 C68 C17 165(3) 6_565 6_565 ?
C18 C68 C19 40.6(18) 6_565 6_565 ?
C18 C68 C38 134(2) 6_565 6_565 ?
C18 C68 C47 38.2(15) 6_565 . ?
C18 C68 C67 73.9(17) 6_565 . ?
C18 C68 C69 160(2) 6_565 . ?
C19 C68 C16 155.0(15) 6_565 6_565 ?
C19 C68 C38 93.4(9) 6_565 6_565 ?
C47 C68 C4 11.9(7) . 6_565 ?
C47 C68 C16 112.9(10) . 6_565 ?
C47 C68 C19 72.4(7) . 6_565 ?
C47 C68 C38 156.2(14) . 6_565 ?
C47 C68 C67 107.0(7) . . ?
C67 C68 C4 118.5(9) . 6_565 ?
C67 C68 C16 130.8(13) . 6_565 ?
C67 C68 C19 34.7(6) . 6_565 ?
C67 C68 C38 59.7(8) . 6_565 ?
C69 C68 C4 110.2(10) . 6_565 ?
C69 C68 C16 8.8(8) . 6_565 ?
C69 C68 C19 152.7(16) . 6_565 ?
C69 C68 C38 64.6(8) . 6_565 ?
C69 C68 C47 121.7(12) . . ?
C69 C68 C67 123.8(13) . . ?
C15 C69 C38 157.9(18) 6_565 6_565 ?
C16 C69 C15 44(2) 6_565 6_565 ?
C16 C69 C17 178(6) 6_565 6_565 ?
C16 C69 C36 53(2) 6_565 6_565 ?
C16 C69 C38 133(3) 6_565 6_565 ?
C16 C69 C68 148(3) 6_565 . ?
C16 C69 C70 29(2) 6_565 . ?
C16 C69 C83 90(2) 6_565 . ?
C17 C69 C15 135.1(18) 6_565 6_565 ?
C17 C69 C36 127(2) 6_565 6_565 ?
C17 C69 C38 46.5(12) 6_565 6_565 ?
C17 C69 C68 30.4(12) 6_565 . ?
C17 C69 C70 149.9(19) 6_565 . ?
C17 C69 C83 89.6(16) 6_565 . ?
C36 C69 C15 92.5(9) 6_565 6_565 ?
C36 C69 C38 80.4(9) 6_565 6_565 ?
C68 C69 C15 104.6(11) . 6_565 ?
C68 C69 C36 148.1(17) . 6_565 ?
C68 C69 C38 73.6(9) . 6_565 ?
C68 C69 C70 119.6(12) . . ?
C68 C69 C83 116.2(12) . . ?
C70 C69 C15 15.3(7) . 6_565 ?
C70 C69 C36 77.6(9) . 6_565 ?
C70 C69 C38 152.2(17) . 6_565 ?
C70 C69 C83 115.2(11) . . ?
C83 C69 C15 129.4(13) . 6_565 ?
C83 C69 C36 37.9(8) . 6_565 ?
C83 C69 C38 43.2(8) . 6_565 ?
C3 C70 C36 146.2(14) 6_565 6_565 ?
C14 C70 C3 93.1(10) 6_565 6_565 ?
C14 C70 C36 104.0(11) 6_565 6_565 ?
C14 C70 C71 72.4(9) 6_565 . ?
C15 C70 C3 22(3) 6_565 6_565 ?
C15 C70 C14 77(3) 6_565 6_565 ?
C15 C70 C16 132(3) 6_565 6_565 ?
C15 C70 C36 166(6) 6_565 6_565 ?
C15 C70 C69 117(3) 6_565 . ?
C15 C70 C71 9(4) 6_565 . ?
C15 C70 C72 121(3) 6_565 . ?
C16 C70 C3 112.0(14) 6_565 6_565 ?
C16 C70 C14 147(2) 6_565 6_565 ?
C16 C70 C36 43.9(11) 6_565 6_565 ?
C16 C70 C69 15.7(12) 6_565 . ?
C16 C70 C71 133.9(17) 6_565 . ?
C16 C70 C72 104.8(16) 6_565 . ?
C69 C70 C3 96.4(9) . 6_565 ?
C69 C70 C14 155(2) . 6_565 ?
C69 C70 C36 57.3(7) . 6_565 ?
C69 C70 C71 118.3(11) . . ?
C71 C70 C3 21.9(7) . 6_565 ?
C71 C70 C36 158(2) . 6_565 ?
C72 C70 C3 135.7(14) . 6_565 ?
C72 C70 C14 44.4(8) . 6_565 ?
C72 C70 C36 61.1(8) . 6_565 ?
C72 C70 C69 118.1(12) . . ?
C72 C70 C71 116.4(12) . . ?
C2 C71 C14 119.4(11) 6_565 6_565 ?
C3 C71 C2 68.8(16) 6_565 6_565 ?
C3 C71 C14 156(3) 6_565 6_565 ?
C3 C71 C15 109(2) 6_565 6_565 ?
C3 C71 C48 14.5(16) 6_565 . ?
C3 C71 C51 121.5(18) 6_565 . ?
C3 C71 C70 109.6(18) 6_565 . ?
C15 C71 C2 163(3) 6_565 6_565 ?
C15 C71 C14 56.4(12) 6_565 6_565 ?
C15 C71 C48 120.4(15) 6_565 . ?
C15 C71 C51 124.2(18) 6_565 . ?
C15 C71 C70 5(2) 6_565 . ?
C48 C71 C2 54.9(7) . 6_565 ?
C48 C71 C14 154.5(14) . 6_565 ?
C48 C71 C51 107.1(8) . . ?
C48 C71 C70 120.6(11) . . ?
C51 C71 C2 53.2(7) . 6_565 ?
C51 C71 C14 68.0(9) . 6_565 ?
C70 C71 C2 158.3(18) . 6_565 ?
C70 C71 C14 53.8(8) . 6_565 ?
C70 C71 C51 121.0(13) . . ?
C14 C72 C15 54.8(9) 6_565 6_565 ?
C14 C72 C16 98.8(12) 6_565 6_565 ?
C14 C72 C35 150.8(15) 6_565 6_565 ?
C14 C72 C36 141.5(13) 6_565 6_565 ?
C14 C72 C70 69.5(11) 6_565 . ?
C14 C72 C73 53.0(10) 6_565 . ?
C14 C72 C85 148.8(15) 6_565 . ?
C15 C72 C16 44.4(6) 6_565 6_565 ?
C15 C72 C36 89.8(9) 6_565 6_565 ?
C34 C72 C14 92.3(13) 6_565 6_565 ?
C34 C72 C15 140.9(15) 6_565 6_565 ?
C34 C72 C16 148.6(16) 6_565 6_565 ?
C34 C72 C35 61.4(10) 6_565 6_565 ?
C34 C72 C36 112.0(13) 6_565 6_565 ?
C34 C72 C70 151.2(19) 6_565 . ?
C34 C72 C73 40.1(8) 6_565 . ?
C34 C72 C85 69.0(10) 6_565 . ?
C35 C72 C15 140.7(12) 6_565 6_565 ?
C35 C72 C16 98.6(9) 6_565 6_565 ?
C35 C72 C36 53.3(7) 6_565 6_565 ?
C36 C72 C16 45.7(6) 6_565 6_565 ?
C70 C72 C15 14.7(8) . 6_565 ?
C70 C72 C16 30.0(7) . 6_565 ?
C70 C72 C35 128.0(12) . 6_565 ?
C70 C72 C36 75.6(9) . 6_565 ?
C70 C72 C73 120.9(12) . . ?
C70 C72 C85 115.7(13) . . ?
C73 C72 C15 106.5(10) . 6_565 ?
C73 C72 C16 145.9(11) . 6_565 ?
C73 C72 C35 101.5(9) . 6_565 ?
C73 C72 C36 148.0(10) . 6_565 ?
C85 C72 C15 127.6(12) . 6_565 ?
C85 C72 C16 87.3(10) . 6_565 ?
C85 C72 C35 13.4(10) . 6_565 ?
C85 C72 C36 43.3(9) . 6_565 ?
C85 C72 C73 107.8(8) . . ?
C14 C73 C13 64.6(9) 6_565 6_565 ?
C14 C73 C32 123.6(12) 6_565 6_565 ?
C14 C73 C33 160.8(16) 6_565 6_565 ?
C14 C73 C52 75.7(11) 6_565 . ?
C14 C73 C72 45.6(9) 6_565 . ?
C14 C73 C74 145.2(12) 6_565 . ?
C32 C73 C13 59.9(7) 6_565 6_565 ?
C33 C73 C13 120.2(12) 6_565 6_565 ?
C33 C73 C32 61.1(8) 6_565 6_565 ?
C33 C73 C52 108.2(12) 6_565 . ?
C33 C73 C72 123.8(10) 6_565 . ?
C33 C73 C74 18.0(9) 6_565 . ?
C34 C73 C13 148.7(16) 6_565 6_565 ?
C34 C73 C14 88.4(12) 6_565 6_565 ?
C34 C73 C32 139.0(15) 6_565 6_565 ?
C34 C73 C33 80.5(12) 6_565 6_565 ?
C34 C73 C52 154(2) 6_565 . ?
C34 C73 C72 43.6(9) 6_565 . ?
C34 C73 C74 63.1(10) 6_565 . ?
C52 C73 C13 12.0(9) . 6_565 ?
C52 C73 C32 48.2(8) . 6_565 ?
C52 C73 C72 120.2(12) . . ?
C52 C73 C74 121.3(12) . . ?
C72 C73 C13 109.8(10) . 6_565 ?
C72 C73 C32 162.1(11) . 6_565 ?
C74 C73 C13 133.0(11) . 6_565 ?
C74 C73 C32 77.1(9) . 6_565 ?
C74 C73 C72 106.0(7) . . ?
C33 C74 C32 21(3) 6_565 6_565 ?
C33 C74 C34 91(2) 6_565 6_565 ?
C33 C74 C55 78(2) 6_565 . ?
C33 C74 C56 112(2) 6_565 6_565 ?
C33 C74 C73 52(2) 6_565 . ?
C33 C74 C75 160(2) 6_565 . ?
C34 C74 C32 91.7(9) 6_565 6_565 ?
C34 C74 C55 157.6(15) 6_565 . ?
C34 C74 C73 39.7(7) 6_565 . ?
C34 C74 C75 69.6(7) 6_565 . ?
C55 C74 C32 71.1(8) . 6_565 ?
C56 C74 C32 103.6(9) 6_565 6_565 ?
C56 C74 C34 151.9(16) 6_565 6_565 ?
C56 C74 C55 33.7(6) 6_565 . ?
C56 C74 C73 151.5(13) 6_565 . ?
C56 C74 C75 88.5(12) 6_565 . ?
C73 C74 C32 52.5(7) . 6_565 ?
C73 C74 C55 123.0(11) . . ?
C75 C74 C32 156.1(11) . 6_565 ?
C75 C74 C55 122.0(11) . . ?
C75 C74 C73 109.0(7) . . ?
C34 C75 C33 48.2(6) 6_565 6_565 ?
C34 C75 C56 92.7(8) 6_565 6_565 ?
C35 C75 C33 106.7(11) 6_565 6_565 ?
C35 C75 C34 58.7(9) 6_565 6_565 ?
C35 C75 C56 150.6(13) 6_565 6_565 ?
C35 C75 C57 149.2(13) 6_565 6_565 ?
C35 C75 C74 111.8(11) 6_565 . ?
C35 C75 C76 125.9(12) 6_565 . ?
C35 C75 C85 14.1(13) 6_565 . ?
C56 C75 C33 46.2(5) 6_565 6_565 ?
C57 C75 C33 97.2(10) 6_565 6_565 ?
C57 C75 C34 138.8(12) 6_565 6_565 ?
C57 C75 C56 51.3(6) 6_565 6_565 ?
C57 C75 C76 25.2(6) 6_565 . ?
C57 C75 C85 140.4(13) 6_565 . ?
C58 C75 C33 159.0(15) 6_565 6_565 ?
C58 C75 C34 128.3(15) 6_565 6_565 ?
C58 C75 C35 76.3(12) 6_565 6_565 ?
C58 C75 C56 124.3(13) 6_565 6_565 ?
C58 C75 C57 74.5(10) 6_565 6_565 ?
C58 C75 C74 157.0(16) 6_565 . ?
C58 C75 C76 49.8(9) 6_565 . ?
C58 C75 C85 74.1(13) 6_565 . ?
C74 C75 C33 5.2(7) . 6_565 ?
C74 C75 C34 53.1(6) . 6_565 ?
C74 C75 C56 41.1(8) . 6_565 ?
C74 C75 C57 92.1(11) . 6_565 ?
C74 C75 C76 116.9(11) . . ?
C74 C75 C85 108.2(8) . . ?
C76 C75 C33 121.9(10) . 6_565 ?
C76 C75 C34 153.9(13) . 6_565 ?
C76 C75 C56 76.4(7) . 6_565 ?
C85 C75 C33 103.6(8) . 6_565 ?
C85 C75 C34 55.9(7) . 6_565 ?
C85 C75 C56 141.6(10) . 6_565 ?
C85 C75 C76 121.1(12) . . ?
C57 C76 C57 51.4(17) 6_565 . ?
C57 C76 C58 113(2) 6_565 6_565 ?
C57 C76 C59 158(3) 6_565 6_565 ?
C57 C76 C59 140.9(11) . 6_565 ?
C57 C76 C75 121.5(10) . . ?
C57 C76 C75 70.5(17) 6_565 . ?
C57 C76 C76 77.5(17) 6_565 6_565 ?
C57 C76 C77 121.6(9) . . ?
C57 C76 C77 168(4) 6_565 . ?
C58 C76 C57 159(2) 6_565 . ?
C58 C76 C59 48.9(7) 6_565 6_565 ?
C58 C76 C75 43.6(9) 6_565 . ?
C58 C76 C76 161.0(11) 6_565 6_565 ?
C58 C76 C77 70.5(9) 6_565 . ?
C75 C76 C59 92.5(9) . 6_565 ?
C76 C76 C57 26.2(6) 6_565 . ?
C76 C76 C59 116.4(5) 6_565 6_565 ?
C76 C76 C75 147.2(7) 6_565 . ?
C76 C76 C77 95.8(6) 6_565 . ?
C77 C76 C59 21.7(7) . 6_565 ?
C77 C76 C75 114.1(9) . . ?
C58 C77 C77 128.1(6) 6_565 6_565 ?
C59 C77 C58 70.5(13) 6_565 6_565 ?
C59 C77 C76 115.8(16) 6_565 . ?
C59 C77 C77 153.7(15) 6_565 6_565 ?
C59 C77 C78 118.3(17) 6_565 . ?
C59 C77 C78 100.4(16) 6_565 6_565 ?
C59 C77 C86 5.0(18) 6_565 . ?
C76 C77 C58 45.4(7) . 6_565 ?
C76 C77 C77 84.2(6) . 6_565 ?
C76 C77 C86 112.2(10) . . ?
C78 C77 C58 157.1(15) . 6_565 ?
C78 C77 C58 159(2) 6_565 6_565 ?
C78 C77 C76 137.7(16) 6_565 . ?
C78 C77 C76 120.2(10) . . ?
C78 C77 C77 37.0(7) . 6_565 ?
C78 C77 C77 55.4(11) 6_565 6_565 ?
C78 C77 C78 18.4(10) 6_565 . ?
C78 C77 C86 119.8(11) . . ?
C78 C77 C86 102.2(13) 6_565 . ?
C86 C77 C58 67.3(9) . 6_565 ?
C86 C77 C77 153.3(9) . 6_565 ?
C59 C78 C59 140.1(11) . 6_565 ?
C59 C78 C79 130.1(11) . 6_565 ?
C59 C78 C86 149.9(8) 6_565 6_565 ?
C59 C78 C86 13.9(6) . 6_565 ?
C77 C78 C59 120.5(11) . . ?
C77 C78 C59 21.4(6) . 6_565 ?
C77 C78 C59 33.6(10) 6_565 . ?
C77 C78 C59 108.4(12) 6_565 6_565 ?
C77 C78 C77 87.5(15) 6_565 . ?
C77 C78 C79 159.1(17) 6_565 6_565 ?
C77 C78 C79 103.0(12) . 6_565 ?
C77 C78 C79 140.1(14) 6_565 . ?
C77 C78 C86 47.2(10) 6_565 6_565 ?
C77 C78 C86 132.5(10) . 6_565 ?
C78 C78 C59 16.8(5) 6_565 6_565 ?
C78 C78 C59 156.9(6) 6_565 . ?
C78 C78 C77 37.0(7) 6_565 . ?
C78 C78 C77 124.6(11) 6_565 6_565 ?
C78 C78 C79 67.8(8) 6_565 6_565 ?
C78 C78 C79 91.0(6) 6_565 . ?
C78 C78 C86 165.1(6) 6_565 6_565 ?
C79 C78 C59 104.6(9) . 6_565 ?
C79 C78 C59 107.7(8) . . ?
C79 C78 C59 81.8(10) 6_565 6_565 ?
C79 C78 C77 125.7(12) . . ?
C79 C78 C79 23.2(11) . 6_565 ?
C79 C78 C86 116.2(11) 6_565 6_565 ?
C79 C78 C86 93.7(7) . 6_565 ?
C61 C79 C61 140.4(13) . 6_565 ?
C61 C79 C78 128.5(10) . 6_565 ?
C61 C79 C80 124.8(12) . . ?
C61 C79 C81 20.4(6) . 6_565 ?
C78 C79 C61 108.3(8) . . ?
C78 C79 C61 101.3(9) . 6_565 ?
C78 C79 C61 80.5(10) 6_565 6_565 ?
C78 C79 C78 21.2(10) . 6_565 ?
C78 C79 C80 117.2(11) . . ?
C78 C79 C81 87.8(7) . 6_565 ?
C78 C79 C81 108.1(10) 6_565 6_565 ?
C79 C79 C61 16.4(6) 6_565 6_565 ?
C79 C79 C61 156.8(8) 6_565 . ?
C79 C79 C78 67.8(8) 6_565 6_565 ?
C79 C79 C78 89.0(6) 6_565 . ?
C79 C79 C80 32.4(7) 6_565 . ?
C79 C79 C80 129.3(12) 6_565 6_565 ?
C79 C79 C81 163.1(7) 6_565 6_565 ?
C80 C79 C61 16.7(7) . 6_565 ?
C80 C79 C61 28.4(12) 6_565 . ?
C80 C79 C61 113.3(13) 6_565 6_565 ?
C80 C79 C78 133.8(15) 6_565 . ?
C80 C79 C78 96.8(11) . 6_565 ?
C80 C79 C78 150.5(18) 6_565 6_565 ?
C80 C79 C80 97.0(17) 6_565 . ?
C80 C79 C81 139.6(12) . 6_565 ?
C80 C79 C81 47.6(12) 6_565 6_565 ?
C81 C79 C61 151.2(9) 6_565 6_565 ?
C61 C80 C60 23.2(15) 6_565 6_565 ?
C61 C80 C62 74.3(17) 6_565 6_565 ?
C61 C80 C64 111.1(19) 6_565 . ?
C61 C80 C79 128(2) 6_565 . ?
C61 C80 C79 110(2) 6_565 6_565 ?
C61 C80 C80 158.3(17) 6_565 6_565 ?
C61 C80 C81 14(2) 6_565 . ?
C62 C80 C60 89.6(10) 6_565 6_565 ?
C62 C80 C80 121.8(8) 6_565 6_565 ?
C64 C80 C60 125.2(11) . 6_565 ?
C64 C80 C62 36.8(8) . 6_565 ?
C64 C80 C79 118.8(11) . . ?
C64 C80 C80 86.6(7) . 6_565 ?
C64 C80 C81 114.9(11) . . ?
C79 C80 C60 106.8(10) . 6_565 ?
C79 C80 C60 90.0(13) 6_565 6_565 ?
C79 C80 C62 164(2) 6_565 6_565 ?
C79 C80 C62 151.3(15) . 6_565 ?
C79 C80 C64 136.9(17) 6_565 . ?
C79 C80 C79 18.3(11) 6_565 . ?
C79 C80 C80 50.7(12) 6_565 6_565 ?
C79 C80 C80 32.4(7) . 6_565 ?
C79 C80 C81 118.6(11) . . ?
C79 C80 C81 101.8(15) 6_565 . ?
C80 C80 C60 135.3(6) 6_565 6_565 ?
C81 C80 C60 11.9(7) . 6_565 ?
C81 C80 C62 78.6(10) . 6_565 ?
C81 C80 C80 146.3(8) . 6_565 ?
C37 C81 C59 86.6(8) 6_565 6_565 ?
C37 C81 C62 109.5(10) 6_565 6_565 ?
C37 C81 C79 154.4(13) 6_565 6_565 ?
C59 C81 C62 144.3(13) 6_565 6_565 ?
C59 C81 C79 73.4(8) 6_565 6_565 ?
C60 C81 C37 53.6(15) 6_565 6_565 ?
C60 C81 C59 38.4(16) 6_565 6_565 ?
C60 C81 C61 149(3) 6_565 6_565 ?
C60 C81 C62 160(3) 6_565 6_565 ?
C60 C81 C79 111(2) 6_565 6_565 ?
C60 C81 C80 141(2) 6_565 . ?
C60 C81 C82 94.3(17) 6_565 . ?
C60 C81 C86 18.2(18) 6_565 . ?
C61 C81 C37 157(2) 6_565 6_565 ?
C61 C81 C59 112(2) 6_565 6_565 ?
C61 C81 C62 47.6(14) 6_565 6_565 ?
C61 C81 C79 39.0(13) 6_565 6_565 ?
C61 C81 C80 12(2) 6_565 . ?
C61 C81 C82 117(2) 6_565 . ?
C61 C81 C86 133(2) 6_565 . ?
C62 C81 C79 80.3(7) 6_565 6_565 ?
C80 C81 C37 156.0(14) . 6_565 ?
C80 C81 C59 103.4(10) . 6_565 ?
C80 C81 C62 50.7(8) . 6_565 ?
C80 C81 C79 30.5(6) . 6_565 ?
C82 C81 C37 40.8(7) . 6_565 ?
C82 C81 C59 124.3(10) . 6_565 ?
C82 C81 C62 69.6(10) . 6_565 ?
C82 C81 C79 145.9(12) . 6_565 ?
C82 C81 C80 119.9(12) . . ?
C82 C81 C86 107.0(8) . . ?
C86 C81 C37 67.3(7) . 6_565 ?
C86 C81 C59 20.6(8) . 6_565 ?
C86 C81 C62 156.2(14) . 6_565 ?
C86 C81 C79 93.9(11) . 6_565 ?
C86 C81 C80 123.9(13) . . ?
C37 C82 C39 157.1(17) 6_565 6_565 ?
C37 C82 C60 57.1(8) 6_565 6_565 ?
C37 C82 C61 102.9(12) 6_565 6_565 ?
C37 C82 C62 145.3(15) 6_565 6_565 ?
C37 C82 C66 143.7(15) 6_565 . ?
C37 C82 C81 81.4(10) 6_565 . ?
C37 C82 C83 29.6(9) 6_565 . ?
C38 C82 C37 90.1(15) 6_565 6_565 ?
C38 C82 C39 70.0(11) 6_565 6_565 ?
C38 C82 C60 144.3(16) 6_565 6_565 ?
C38 C82 C61 158.7(18) 6_565 6_565 ?
C38 C82 C62 118.0(14) 6_565 6_565 ?
C38 C82 C66 58.0(12) 6_565 . ?
C38 C82 C81 162.8(18) 6_565 . ?
C38 C82 C83 60.7(13) 6_565 . ?
C39 C82 C60 137.5(14) 6_565 6_565 ?
C39 C82 C61 93.4(10) 6_565 6_565 ?
C39 C82 C62 48.9(7) 6_565 6_565 ?
C60 C82 C61 45.8(7) 6_565 6_565 ?
C60 C82 C62 89.7(10) 6_565 6_565 ?
C62 C82 C61 44.5(6) 6_565 6_565 ?
C66 C82 C39 13.5(12) . 6_565 ?
C66 C82 C60 144.1(14) . 6_565 ?
C66 C82 C61 103.8(10) . 6_565 ?
C66 C82 C62 60.1(8) . 6_565 ?
C66 C82 C83 115.1(12) . . ?
C81 C82 C39 114.5(13) . 6_565 ?
C81 C82 C60 24.4(6) . 6_565 ?
C81 C82 C61 21.5(7) . 6_565 ?
C81 C82 C62 65.8(9) . 6_565 ?
C81 C82 C66 123.8(13) . . ?
C81 C82 C83 108.8(8) . . ?
C83 C82 C39 128.5(13) . 6_565 ?
C83 C82 C60 84.9(8) . 6_565 ?
C83 C82 C61 129.2(9) . 6_565 ?
C83 C82 C62 157.6(11) . 6_565 ?
C16 C83 C17 51.6(7) 6_565 6_565 ?
C36 C83 C16 62.9(10) 6_565 6_565 ?
C36 C83 C17 114.0(13) 6_565 6_565 ?
C36 C83 C38 163(2) 6_565 6_565 ?
C36 C83 C69 83.3(12) 6_565 . ?
C36 C83 C82 145.4(15) 6_565 . ?
C36 C83 C84 43.0(12) 6_565 . ?
C37 C83 C16 164(2) 6_565 6_565 ?
C37 C83 C17 140(2) 6_565 6_565 ?
C37 C83 C36 103.1(19) 6_565 6_565 ?
C37 C83 C38 85.2(17) 6_565 6_565 ?
C37 C83 C69 167(3) 6_565 . ?
C37 C83 C82 47.2(14) 6_565 . ?
C37 C83 C84 60.1(14) 6_565 . ?
C38 C83 C16 106.3(12) 6_565 6_565 ?
C38 C83 C17 54.9(7) 6_565 6_565 ?
C38 C83 C69 85.9(11) 6_565 . ?
C38 C83 C82 38.3(9) 6_565 . ?
C38 C83 C84 142.6(12) 6_565 . ?
C69 C83 C16 20.6(7) . 6_565 ?
C69 C83 C17 31.1(7) . 6_565 ?
C69 C83 C82 122.7(12) . . ?
C82 C83 C16 142.0(12) . 6_565 ?
C82 C83 C17 92.5(10) . 6_565 ?
C84 C83 C16 105.6(12) . 6_565 ?
C84 C83 C17 154.0(13) . 6_565 ?
C84 C83 C69 125.6(13) . . ?
C84 C83 C82 105.1(8) . . ?
C35 C84 C58 49.7(8) 6_565 6_565 ?
C35 C84 C59 94.3(11) 6_565 6_565 ?
C35 C84 C60 136.3(15) 6_565 6_565 ?
C35 C84 C83 124.2(14) 6_565 . ?
C35 C84 C86 109.0(15) 6_565 . ?
C36 C84 C35 77.8(13) 6_565 6_565 ?
C36 C84 C37 80.4(14) 6_565 6_565 ?
C36 C84 C58 117.9(16) 6_565 6_565 ?
C36 C84 C59 147.6(18) 6_565 6_565 ?
C36 C84 C60 129.8(15) 6_565 6_565 ?
C36 C84 C83 48.5(12) 6_565 . ?
C36 C84 C85 66.0(14) 6_565 . ?
C36 C84 C86 149.2(18) 6_565 . ?
C37 C84 C35 152.5(16) 6_565 6_565 ?
C37 C84 C58 132.1(15) 6_565 6_565 ?
C37 C84 C59 95.1(12) 6_565 6_565 ?
C37 C84 C60 53.3(8) 6_565 6_565 ?
C37 C84 C83 32.0(8) 6_565 . ?
C37 C84 C85 137.0(17) 6_565 . ?
C37 C84 C86 82.1(10) 6_565 . ?
C58 C84 C59 44.8(6) 6_565 6_565 ?
C60 C84 C58 87.0(10) 6_565 6_565 ?
C60 C84 C59 43.3(7) 6_565 6_565 ?
C83 C84 C58 140.0(12) . 6_565 ?
C83 C84 C59 121.7(10) . 6_565 ?
C83 C84 C60 83.8(8) . 6_565 ?
C83 C84 C86 111.2(8) . . ?
C85 C84 C35 15.5(12) . 6_565 ?
C85 C84 C58 55.2(11) . 6_565 ?
C85 C84 C59 99.2(13) . 6_565 ?
C85 C84 C60 136.0(16) . 6_565 ?
C85 C84 C83 109.9(16) . . ?
C85 C84 C86 113.4(17) . . ?
C86 C84 C58 59.5(10) . 6_565 ?
C86 C84 C59 14.7(7) . 6_565 ?
C86 C84 C60 29.2(6) . 6_565 ?
C34 C85 C58 105.5(11) 6_565 6_565 ?
C34 C85 C75 66.0(8) 6_565 . ?
C35 C85 C34 81(3) 6_565 6_565 ?
C35 C85 C36 133(4) 6_565 6_565 ?
C35 C85 C58 67(4) 6_565 6_565 ?
C35 C85 C72 108(4) 6_565 . ?
C35 C85 C75 53(4) 6_565 . ?
C35 C85 C84 104(4) 6_565 . ?
C36 C85 C34 126.2(15) 6_565 6_565 ?
C36 C85 C58 124.9(14) 6_565 6_565 ?
C36 C85 C72 84.2(13) 6_565 . ?
C36 C85 C75 164.5(16) 6_565 . ?
C36 C85 C84 45.3(11) 6_565 . ?
C72 C85 C34 42.3(7) . 6_565 ?
C72 C85 C58 146.3(11) . 6_565 ?
C72 C85 C75 108.4(8) . . ?
C75 C85 C58 40.5(8) . 6_565 ?
C84 C85 C34 171.4(18) . 6_565 ?
C84 C85 C58 82.9(13) . 6_565 ?
C84 C85 C72 129.1(16) . . ?
C84 C85 C75 122.5(16) . . ?
C37 C86 C78 141.4(12) 6_565 6_565 ?
C58 C86 C37 112.1(11) 6_565 6_565 ?
C58 C86 C78 86.5(8) 6_565 6_565 ?
C59 C86 C37 160(3) 6_565 6_565 ?
C59 C86 C58 61.0(15) 6_565 6_565 ?
C59 C86 C60 127(3) 6_565 6_565 ?
C59 C86 C77 6(2) 6_565 . ?
C59 C86 C78 29.0(14) 6_565 6_565 ?
C59 C86 C81 113(2) 6_565 . ?
C59 C86 C84 135(2) 6_565 . ?
C60 C86 C37 51.5(12) 6_565 6_565 ?
C60 C86 C58 156(3) 6_565 6_565 ?
C60 C86 C77 128.4(19) 6_565 . ?
C60 C86 C78 98.2(16) 6_565 6_565 ?
C60 C86 C81 14.6(15) 6_565 . ?
C60 C86 C84 95.0(13) 6_565 . ?
C77 C86 C37 155.1(16) . 6_565 ?
C77 C86 C58 57.3(8) . 6_565 ?
C77 C86 C78 30.5(5) . 6_565 ?
C81 C86 C37 62.5(7) . 6_565 ?
C81 C86 C58 150.3(15) . 6_565 ?
C81 C86 C77 114.1(13) . . ?
C81 C86 C78 84.3(10) . 6_565 ?
C84 C86 C37 44.0(7) . 6_565 ?
C84 C86 C58 73.7(11) . 6_565 ?
C84 C86 C77 130.9(14) . . ?
C84 C86 C78 156.5(14) . 6_565 ?
C84 C86 C81 106.5(8) . . ?
C3S C2S C1S 118.5(7) . . ?
C2S C3S C4S 121.9(8) . . ?
C3S C4S C3S 117.6(10) 6_565 . ?
N2P Ni1P N1P 91.6(7) . . ?
N3P Ni1P N1P 178.0(6) . . ?
N3P Ni1P N2P 89.3(5) . . ?
N4P Ni1P N1P 89.9(4) . . ?
N4P Ni1P N2P 177.8(6) . . ?
N4P Ni1P N3P 89.2(6) . . ?
C1P N1P Ni1P 128.4(13) . . ?
C18P N1P Ni1P 129.2(11) . . ?
C18P N1P C1P 102.4(12) . . ?
C3P N2P Ni1P 125.8(12) . . ?
C6P N2P Ni1P 130.5(11) . . ?
C6P N2P C3P 103.6(13) . . ?
C8P N3P Ni1P 127.9(10) . . ?
C11P N3P Ni1P 129.2(12) . . ?
C11P N3P C8P 102.8(12) . . ?
C13P N4P Ni1P 128.8(12) . . ?
C13P N4P C16P 103.4(12) . . ?
C16P N4P Ni1P 127.7(10) . . ?
N1P C1P C2P 123.8(13) . . ?
N1P C1P C20P 113.4(13) . . ?
C2P C1P C20P 122.7(12) . . ?
C3P C2P C1P 124.4(12) . . ?
N2P C3P C4P 110.5(13) . . ?
C2P C3P N2P 125.9(14) . . ?
C2P C3P C4P 123.5(12) . . ?
C3P C4P C23P 125.2(12) . . ?
C5P C4P C3P 106.3(14) . . ?
C5P C4P C23P 128.5(13) . . ?
C4P C5P C6P 107.8(14) . . ?
C4P C5P C25P 128.1(13) . . ?
C6P C5P C25P 124.0(14) . . ?
N2P C6P C5P 111.8(12) . . ?
N2P C6P C7P 122.0(14) . . ?
C7P C6P C5P 126.2(13) . . ?
C8P C7P C6P 124.7(11) . . ?
N3P C8P C9P 111.7(13) . . ?
C7P C8P N3P 125.5(13) . . ?
C7P C8P C9P 122.8(12) . . ?
C8P C9P C27P 125.8(13) . . ?
C10P C9P C8P 105.6(13) . . ?
C10P C9P C27P 128.6(14) . . ?
C9P C10P C11P 106.2(13) . . ?
C9P C10P C29P 127.5(14) . . ?
C11P C10P C29P 126.3(15) . . ?
N3P C11P C10P 113.7(14) . . ?
N3P C11P C12P 125.4(13) . . ?
C12P C11P C10P 120.9(15) . . ?
C13P C12P C11P 122.0(13) . . ?
N4P C13P C14P 110.0(15) . . ?
C12P C13P N4P 125.3(14) . . ?
C12P C13P C14P 124.7(15) . . ?
C13P C14P C31P 123.8(14) . . ?
C15P C14P C13P 106.7(14) . . ?
C15P C14P C31P 129.5(15) . . ?
C14P C15P C16P 108.3(17) . . ?
C14P C15P C33P 126.3(15) . . ?
C16P C15P C33P 125.3(15) . . ?
C15P C16P N4P 111.5(15) . . ?
C17P C16P N4P 124.5(15) . . ?
C17P C16P C15P 124.0(18) . . ?
C16P C17P C18P 124.8(10) . . ?
N1P C18P C17P 124.0(15) . . ?
N1P C18P C19P 112.1(13) . . ?
C17P C18P C19P 123.9(17) . . ?
C18P C19P C35P 124.2(14) . . ?
C20P C19P C18P 106.3(15) . . ?
C20P C19P C35P 129.1(13) . . ?
C1P C20P C21P 125.4(13) . . ?
C19P C20P C1P 105.7(13) . . ?
C19P C20P C21P 129.0(14) . . ?
C20P C21P C22P 113.5(13) . . ?
C4P C23P C24P 113.4(12) . . ?
C26P C25P C5P 115.3(13) . . ?
C9P C27P C28P 112.8(13) . . ?
C10P C29P C30P 116.4(15) . . ?
C32P C31P C14P 113.1(13) . . ?
C15P C33P C34P 112.5(18) . . ?
C36P C35P C19P 113(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
